USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 851 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 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl -150:sc= -0.134 (180deg=-0.926) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -16.1! C(o=-16!,f=-18!) USER MOD Single : A 38 THR OG1 : rot -100:sc= -2.72! USER MOD Single : A 40 SER OG : rot 180:sc= -0.149 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0.858 K(o=0.86,f=-0.7) USER MOD Single : A 62 ASN : amide:sc= -20! C(o=-20!,f=-22!) USER MOD Single : A 68 SER OG : rot 171:sc= -0.285 USER MOD Single : A 69 TYR OH : rot 2:sc= -2.43! USER MOD Single : A 79 ASN :FLIP amide:sc= -17.1! C(o=-23!,f=-17!) USER MOD Single : A 86 THR OG1 : rot -91:sc= -2.34! USER MOD Single : A 88 TYR OH : rot 0:sc= 0 USER MOD Single : A 90 SER OG : rot 170:sc= -1.64! USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -138:sc= -0.0542 USER MOD Single : A 97 TYR OH : rot 30:sc= 0 USER MOD Single : A 98 SER OG : rot 110:sc= -0.0147! USER MOD Single : A 99 ASN :FLIP amide:sc= -4! C(o=-8.8!,f=-4!) USER MOD Single : A 104 THR OG1 : rot 61:sc= 0.104! USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot -99:sc= -4.3! USER MOD Single : A 118 GLN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD ----------------------------------------------------------------- ATOM 132 N LEU A 9 4.949 10.892 3.776 1.00 0.00 N ATOM 133 CA LEU A 9 4.496 10.994 2.363 1.00 0.00 C ATOM 134 C LEU A 9 5.216 9.971 1.476 1.00 0.00 C ATOM 135 O LEU A 9 6.088 10.313 0.700 1.00 0.00 O ATOM 136 CB LEU A 9 4.854 12.419 1.940 1.00 0.00 C ATOM 137 CG LEU A 9 3.614 13.117 1.380 1.00 0.00 C ATOM 138 CD1 LEU A 9 2.904 13.880 2.500 1.00 0.00 C ATOM 139 CD2 LEU A 9 4.038 14.096 0.283 1.00 0.00 C ATOM 0 HA LEU A 9 3.431 10.787 2.263 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.242 12.975 2.793 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.642 12.398 1.188 1.00 0.00 H new ATOM 0 HG LEU A 9 2.934 12.374 0.964 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.021 14.377 2.099 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.604 13.183 3.282 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.581 14.625 2.918 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.157 14.596 -0.119 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.717 14.839 0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.542 13.552 -0.515 1.00 0.00 H new ATOM 151 N ARG A 10 4.849 8.720 1.575 1.00 0.00 N ATOM 152 CA ARG A 10 5.509 7.679 0.731 1.00 0.00 C ATOM 153 C ARG A 10 4.480 6.680 0.185 1.00 0.00 C ATOM 154 O ARG A 10 3.334 6.661 0.583 1.00 0.00 O ATOM 155 CB ARG A 10 6.490 6.971 1.666 1.00 0.00 C ATOM 156 CG ARG A 10 7.907 7.118 1.114 1.00 0.00 C ATOM 157 CD ARG A 10 8.182 8.594 0.826 1.00 0.00 C ATOM 158 NE ARG A 10 9.648 8.757 1.026 1.00 0.00 N ATOM 159 CZ ARG A 10 10.094 9.380 2.080 1.00 0.00 C ATOM 160 NH1 ARG A 10 9.686 9.021 3.266 1.00 0.00 N ATOM 161 NH2 ARG A 10 10.942 10.364 1.948 1.00 0.00 N ATOM 0 H ARG A 10 4.123 8.374 2.202 1.00 0.00 H new ATOM 0 HA ARG A 10 6.005 8.119 -0.134 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.431 7.399 2.667 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.229 5.916 1.755 1.00 0.00 H new ATOM 0 HG2 ARG A 10 8.632 6.734 1.832 1.00 0.00 H new ATOM 0 HG3 ARG A 10 8.018 6.530 0.203 1.00 0.00 H new ATOM 0 HD2 ARG A 10 7.890 8.859 -0.190 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.617 9.240 1.499 1.00 0.00 H new ATOM 0 HE ARG A 10 10.302 8.382 0.339 1.00 0.00 H new ATOM 0 HH11 ARG A 10 9.020 8.255 3.366 1.00 0.00 H new ATOM 0 HH12 ARG A 10 10.033 9.506 4.093 1.00 0.00 H new ATOM 0 HH21 ARG A 10 11.256 10.646 1.019 1.00 0.00 H new ATOM 0 HH22 ARG A 10 11.291 10.851 2.774 1.00 0.00 H new ATOM 175 N VAL A 11 4.884 5.845 -0.725 1.00 0.00 N ATOM 176 CA VAL A 11 3.933 4.848 -1.294 1.00 0.00 C ATOM 177 C VAL A 11 4.688 3.575 -1.682 1.00 0.00 C ATOM 178 O VAL A 11 5.172 3.442 -2.788 1.00 0.00 O ATOM 179 CB VAL A 11 3.344 5.529 -2.531 1.00 0.00 C ATOM 180 CG1 VAL A 11 4.468 6.179 -3.337 1.00 0.00 C ATOM 181 CG2 VAL A 11 2.634 4.488 -3.398 1.00 0.00 C ATOM 0 H VAL A 11 5.831 5.807 -1.102 1.00 0.00 H new ATOM 0 HA VAL A 11 3.157 4.555 -0.587 1.00 0.00 H new ATOM 0 HB VAL A 11 2.630 6.291 -2.220 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.050 6.665 -4.219 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.976 6.921 -2.721 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.182 5.416 -3.647 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.214 4.973 -4.279 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.348 3.726 -3.709 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.833 4.022 -2.824 1.00 0.00 H new ATOM 191 N LEU A 12 4.804 2.644 -0.774 1.00 0.00 N ATOM 192 CA LEU A 12 5.544 1.386 -1.085 1.00 0.00 C ATOM 193 C LEU A 12 4.571 0.265 -1.473 1.00 0.00 C ATOM 194 O LEU A 12 4.074 -0.454 -0.631 1.00 0.00 O ATOM 195 CB LEU A 12 6.278 1.035 0.210 1.00 0.00 C ATOM 196 CG LEU A 12 6.968 2.285 0.766 1.00 0.00 C ATOM 197 CD1 LEU A 12 7.384 2.052 2.220 1.00 0.00 C ATOM 198 CD2 LEU A 12 8.207 2.586 -0.078 1.00 0.00 C ATOM 0 H LEU A 12 4.419 2.699 0.169 1.00 0.00 H new ATOM 0 HA LEU A 12 6.226 1.509 -1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.574 0.640 0.943 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.015 0.254 0.022 1.00 0.00 H new ATOM 0 HG LEU A 12 6.278 3.128 0.727 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.874 2.946 2.606 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.501 1.834 2.821 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.074 1.210 2.270 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.705 3.474 0.310 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.891 1.739 -0.035 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.909 2.760 -1.112 1.00 0.00 H new ATOM 210 N VAL A 13 4.315 0.096 -2.742 1.00 0.00 N ATOM 211 CA VAL A 13 3.389 -0.988 -3.187 1.00 0.00 C ATOM 212 C VAL A 13 4.202 -2.113 -3.811 1.00 0.00 C ATOM 213 O VAL A 13 5.169 -1.871 -4.502 1.00 0.00 O ATOM 214 CB VAL A 13 2.486 -0.342 -4.236 1.00 0.00 C ATOM 215 CG1 VAL A 13 1.333 -1.290 -4.568 1.00 0.00 C ATOM 216 CG2 VAL A 13 1.924 0.972 -3.692 1.00 0.00 C ATOM 0 H VAL A 13 4.708 0.663 -3.493 1.00 0.00 H new ATOM 0 HA VAL A 13 2.810 -1.409 -2.365 1.00 0.00 H new ATOM 0 HB VAL A 13 3.065 -0.142 -5.137 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.688 -0.830 -5.317 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.732 -2.226 -4.959 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.756 -1.491 -3.666 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.280 1.431 -4.442 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.346 0.774 -2.789 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.745 1.649 -3.456 1.00 0.00 H new ATOM 226 N VAL A 14 3.852 -3.341 -3.568 1.00 0.00 N ATOM 227 CA VAL A 14 4.667 -4.430 -4.155 1.00 0.00 C ATOM 228 C VAL A 14 3.829 -5.669 -4.507 1.00 0.00 C ATOM 229 O VAL A 14 3.070 -6.183 -3.702 1.00 0.00 O ATOM 230 CB VAL A 14 5.689 -4.760 -3.064 1.00 0.00 C ATOM 231 CG1 VAL A 14 6.256 -3.471 -2.464 1.00 0.00 C ATOM 232 CG2 VAL A 14 5.014 -5.580 -1.967 1.00 0.00 C ATOM 0 H VAL A 14 3.055 -3.633 -3.002 1.00 0.00 H new ATOM 0 HA VAL A 14 5.124 -4.123 -5.096 1.00 0.00 H new ATOM 0 HB VAL A 14 6.505 -5.334 -3.503 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.982 -3.719 -1.689 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.744 -2.890 -3.246 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.446 -2.885 -2.029 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.741 -5.816 -1.190 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.194 -5.005 -1.535 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.624 -6.505 -2.392 1.00 0.00 H new ATOM 242 N GLU A 15 4.004 -6.161 -5.708 1.00 0.00 N ATOM 243 CA GLU A 15 3.286 -7.393 -6.154 1.00 0.00 C ATOM 244 C GLU A 15 4.168 -8.153 -7.158 1.00 0.00 C ATOM 245 O GLU A 15 5.060 -7.603 -7.752 1.00 0.00 O ATOM 246 CB GLU A 15 1.970 -6.936 -6.783 1.00 0.00 C ATOM 247 CG GLU A 15 2.206 -6.277 -8.138 1.00 0.00 C ATOM 248 CD GLU A 15 1.011 -6.587 -9.041 1.00 0.00 C ATOM 249 OE1 GLU A 15 0.250 -7.479 -8.698 1.00 0.00 O ATOM 250 OE2 GLU A 15 0.879 -5.935 -10.063 1.00 0.00 O ATOM 0 H GLU A 15 4.624 -5.754 -6.408 1.00 0.00 H new ATOM 0 HA GLU A 15 3.077 -8.072 -5.327 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.305 -7.791 -6.902 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.470 -6.234 -6.116 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.323 -5.200 -8.020 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.127 -6.651 -8.586 1.00 0.00 H new ATOM 257 N ASP A 16 3.957 -9.421 -7.312 1.00 0.00 N ATOM 258 CA ASP A 16 4.824 -10.240 -8.225 1.00 0.00 C ATOM 259 C ASP A 16 4.791 -9.831 -9.715 1.00 0.00 C ATOM 260 O ASP A 16 4.945 -10.678 -10.574 1.00 0.00 O ATOM 261 CB ASP A 16 4.266 -11.643 -8.087 1.00 0.00 C ATOM 262 CG ASP A 16 2.809 -11.640 -8.560 1.00 0.00 C ATOM 263 OD1 ASP A 16 1.984 -11.060 -7.871 1.00 0.00 O ATOM 264 OD2 ASP A 16 2.545 -12.204 -9.609 1.00 0.00 O ATOM 0 H ASP A 16 3.215 -9.942 -6.844 1.00 0.00 H new ATOM 0 HA ASP A 16 5.868 -10.115 -7.938 1.00 0.00 H new ATOM 0 HB2 ASP A 16 4.854 -12.344 -8.679 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.326 -11.973 -7.050 1.00 0.00 H new ATOM 269 N GLU A 17 4.633 -8.581 -10.060 1.00 0.00 N ATOM 270 CA GLU A 17 4.646 -8.238 -11.517 1.00 0.00 C ATOM 271 C GLU A 17 4.992 -6.760 -11.731 1.00 0.00 C ATOM 272 O GLU A 17 5.093 -5.997 -10.795 1.00 0.00 O ATOM 273 CB GLU A 17 3.244 -8.565 -12.034 1.00 0.00 C ATOM 274 CG GLU A 17 2.254 -7.505 -11.564 1.00 0.00 C ATOM 275 CD GLU A 17 0.894 -8.164 -11.334 1.00 0.00 C ATOM 276 OE1 GLU A 17 0.878 -9.328 -10.970 1.00 0.00 O ATOM 277 OE2 GLU A 17 -0.107 -7.494 -11.524 1.00 0.00 O ATOM 0 H GLU A 17 4.499 -7.800 -9.418 1.00 0.00 H new ATOM 0 HA GLU A 17 5.406 -8.804 -12.056 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.251 -8.611 -13.123 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.935 -9.547 -11.676 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.608 -7.040 -10.644 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.168 -6.713 -12.308 1.00 0.00 H new ATOM 284 N SER A 18 5.201 -6.358 -12.959 1.00 0.00 N ATOM 285 CA SER A 18 5.567 -4.935 -13.234 1.00 0.00 C ATOM 286 C SER A 18 4.321 -4.073 -13.441 1.00 0.00 C ATOM 287 O SER A 18 4.405 -2.862 -13.495 1.00 0.00 O ATOM 288 CB SER A 18 6.394 -4.979 -14.519 1.00 0.00 C ATOM 289 OG SER A 18 5.536 -4.784 -15.636 1.00 0.00 O ATOM 0 H SER A 18 5.134 -6.954 -13.784 1.00 0.00 H new ATOM 0 HA SER A 18 6.114 -4.496 -12.400 1.00 0.00 H new ATOM 0 HB2 SER A 18 7.163 -4.207 -14.497 1.00 0.00 H new ATOM 0 HB3 SER A 18 6.907 -5.937 -14.603 1.00 0.00 H new ATOM 0 HG SER A 18 6.063 -4.810 -16.462 1.00 0.00 H new ATOM 295 N MET A 19 3.165 -4.669 -13.553 1.00 0.00 N ATOM 296 CA MET A 19 1.937 -3.839 -13.750 1.00 0.00 C ATOM 297 C MET A 19 1.811 -2.865 -12.590 1.00 0.00 C ATOM 298 O MET A 19 1.112 -1.874 -12.663 1.00 0.00 O ATOM 299 CB MET A 19 0.748 -4.804 -13.747 1.00 0.00 C ATOM 300 CG MET A 19 1.096 -6.055 -14.541 1.00 0.00 C ATOM 301 SD MET A 19 -0.118 -6.299 -15.862 1.00 0.00 S ATOM 302 CE MET A 19 -1.576 -6.489 -14.808 1.00 0.00 C ATOM 0 H MET A 19 3.016 -5.677 -13.518 1.00 0.00 H new ATOM 0 HA MET A 19 1.977 -3.274 -14.681 1.00 0.00 H new ATOM 0 HB2 MET A 19 0.489 -5.073 -12.723 1.00 0.00 H new ATOM 0 HB3 MET A 19 -0.127 -4.319 -14.180 1.00 0.00 H new ATOM 0 HG2 MET A 19 2.095 -5.961 -14.966 1.00 0.00 H new ATOM 0 HG3 MET A 19 1.110 -6.923 -13.882 1.00 0.00 H new ATOM 0 HE1 MET A 19 -2.297 -7.143 -15.299 1.00 0.00 H new ATOM 0 HE2 MET A 19 -1.281 -6.925 -13.854 1.00 0.00 H new ATOM 0 HE3 MET A 19 -2.030 -5.513 -14.636 1.00 0.00 H new ATOM 312 N ILE A 20 2.486 -3.148 -11.515 1.00 0.00 N ATOM 313 CA ILE A 20 2.412 -2.250 -10.340 1.00 0.00 C ATOM 314 C ILE A 20 3.567 -1.252 -10.371 1.00 0.00 C ATOM 315 O ILE A 20 3.634 -0.328 -9.585 1.00 0.00 O ATOM 316 CB ILE A 20 2.541 -3.185 -9.146 1.00 0.00 C ATOM 317 CG1 ILE A 20 2.598 -2.376 -7.850 1.00 0.00 C ATOM 318 CG2 ILE A 20 3.814 -4.015 -9.285 1.00 0.00 C ATOM 319 CD1 ILE A 20 2.691 -3.335 -6.661 1.00 0.00 C ATOM 0 H ILE A 20 3.086 -3.965 -11.402 1.00 0.00 H new ATOM 0 HA ILE A 20 1.493 -1.665 -10.310 1.00 0.00 H new ATOM 0 HB ILE A 20 1.674 -3.845 -9.115 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.459 -1.708 -7.862 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.710 -1.750 -7.759 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.907 -4.685 -8.430 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.767 -4.602 -10.202 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.678 -3.352 -9.322 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.732 -2.763 -5.734 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.816 -3.984 -6.648 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.592 -3.942 -6.753 1.00 0.00 H new ATOM 331 N ALA A 21 4.480 -1.447 -11.276 1.00 0.00 N ATOM 332 CA ALA A 21 5.649 -0.538 -11.383 1.00 0.00 C ATOM 333 C ALA A 21 5.230 0.815 -11.965 1.00 0.00 C ATOM 334 O ALA A 21 4.870 1.723 -11.241 1.00 0.00 O ATOM 335 CB ALA A 21 6.591 -1.277 -12.323 1.00 0.00 C ATOM 0 H ALA A 21 4.465 -2.208 -11.955 1.00 0.00 H new ATOM 0 HA ALA A 21 6.109 -0.315 -10.420 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.495 -0.686 -12.471 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.855 -2.242 -11.889 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.099 -1.433 -13.283 1.00 0.00 H new ATOM 341 N MET A 22 5.272 0.972 -13.261 1.00 0.00 N ATOM 342 CA MET A 22 4.870 2.284 -13.837 1.00 0.00 C ATOM 343 C MET A 22 3.518 2.697 -13.250 1.00 0.00 C ATOM 344 O MET A 22 3.202 3.866 -13.150 1.00 0.00 O ATOM 345 CB MET A 22 4.818 2.073 -15.366 1.00 0.00 C ATOM 346 CG MET A 22 3.370 1.967 -15.863 1.00 0.00 C ATOM 347 SD MET A 22 3.360 1.403 -17.584 1.00 0.00 S ATOM 348 CE MET A 22 3.243 3.033 -18.363 1.00 0.00 C ATOM 0 H MET A 22 5.562 0.262 -13.934 1.00 0.00 H new ATOM 0 HA MET A 22 5.566 3.089 -13.601 1.00 0.00 H new ATOM 0 HB2 MET A 22 5.317 2.902 -15.867 1.00 0.00 H new ATOM 0 HB3 MET A 22 5.363 1.166 -15.629 1.00 0.00 H new ATOM 0 HG2 MET A 22 2.810 1.271 -15.238 1.00 0.00 H new ATOM 0 HG3 MET A 22 2.876 2.935 -15.784 1.00 0.00 H new ATOM 0 HE1 MET A 22 3.222 2.918 -19.447 1.00 0.00 H new ATOM 0 HE2 MET A 22 2.330 3.529 -18.033 1.00 0.00 H new ATOM 0 HE3 MET A 22 4.106 3.635 -18.079 1.00 0.00 H new ATOM 358 N LEU A 23 2.734 1.742 -12.831 1.00 0.00 N ATOM 359 CA LEU A 23 1.420 2.075 -12.216 1.00 0.00 C ATOM 360 C LEU A 23 1.662 2.923 -10.965 1.00 0.00 C ATOM 361 O LEU A 23 0.762 3.534 -10.424 1.00 0.00 O ATOM 362 CB LEU A 23 0.810 0.715 -11.854 1.00 0.00 C ATOM 363 CG LEU A 23 -0.456 0.890 -11.006 1.00 0.00 C ATOM 364 CD1 LEU A 23 -0.068 1.218 -9.562 1.00 0.00 C ATOM 365 CD2 LEU A 23 -1.318 2.018 -11.580 1.00 0.00 C ATOM 0 H LEU A 23 2.947 0.746 -12.888 1.00 0.00 H new ATOM 0 HA LEU A 23 0.761 2.645 -12.872 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.569 0.166 -12.764 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.540 0.119 -11.306 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.028 -0.038 -11.023 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.970 1.342 -8.962 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.531 0.405 -9.153 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.511 2.141 -9.542 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.215 2.136 -10.972 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.751 2.949 -11.574 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.603 1.774 -12.603 1.00 0.00 H new ATOM 377 N ILE A 24 2.883 2.966 -10.507 1.00 0.00 N ATOM 378 CA ILE A 24 3.206 3.772 -9.301 1.00 0.00 C ATOM 379 C ILE A 24 3.773 5.123 -9.730 1.00 0.00 C ATOM 380 O ILE A 24 3.398 6.160 -9.219 1.00 0.00 O ATOM 381 CB ILE A 24 4.243 2.933 -8.542 1.00 0.00 C ATOM 382 CG1 ILE A 24 4.054 3.153 -7.038 1.00 0.00 C ATOM 383 CG2 ILE A 24 5.670 3.329 -8.939 1.00 0.00 C ATOM 384 CD1 ILE A 24 4.863 2.117 -6.258 1.00 0.00 C ATOM 0 H ILE A 24 3.674 2.473 -10.921 1.00 0.00 H new ATOM 0 HA ILE A 24 2.339 3.985 -8.676 1.00 0.00 H new ATOM 0 HB ILE A 24 4.097 1.883 -8.795 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.374 4.159 -6.765 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.998 3.073 -6.779 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.384 2.719 -8.386 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.808 3.169 -10.008 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.834 4.381 -8.705 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.725 2.278 -5.189 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.522 1.116 -6.521 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.919 2.218 -6.507 1.00 0.00 H new ATOM 396 N GLU A 25 4.667 5.116 -10.678 1.00 0.00 N ATOM 397 CA GLU A 25 5.246 6.400 -11.149 1.00 0.00 C ATOM 398 C GLU A 25 4.111 7.350 -11.519 1.00 0.00 C ATOM 399 O GLU A 25 4.253 8.555 -11.472 1.00 0.00 O ATOM 400 CB GLU A 25 6.079 6.035 -12.377 1.00 0.00 C ATOM 401 CG GLU A 25 7.437 5.500 -11.922 1.00 0.00 C ATOM 402 CD GLU A 25 8.489 6.601 -12.053 1.00 0.00 C ATOM 403 OE1 GLU A 25 8.149 7.662 -12.550 1.00 0.00 O ATOM 404 OE2 GLU A 25 9.618 6.363 -11.657 1.00 0.00 O ATOM 0 H GLU A 25 5.019 4.280 -11.144 1.00 0.00 H new ATOM 0 HA GLU A 25 5.855 6.898 -10.394 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.560 5.284 -12.973 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.214 6.910 -13.013 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.378 5.160 -10.888 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.721 4.638 -12.525 1.00 0.00 H new ATOM 411 N ASP A 26 2.976 6.810 -11.868 1.00 0.00 N ATOM 412 CA ASP A 26 1.822 7.677 -12.220 1.00 0.00 C ATOM 413 C ASP A 26 1.072 8.055 -10.940 1.00 0.00 C ATOM 414 O ASP A 26 0.727 9.200 -10.726 1.00 0.00 O ATOM 415 CB ASP A 26 0.955 6.828 -13.161 1.00 0.00 C ATOM 416 CG ASP A 26 -0.012 5.955 -12.358 1.00 0.00 C ATOM 417 OD1 ASP A 26 -0.962 6.499 -11.818 1.00 0.00 O ATOM 418 OD2 ASP A 26 0.212 4.758 -12.300 1.00 0.00 O ATOM 0 H ASP A 26 2.800 5.807 -11.924 1.00 0.00 H new ATOM 0 HA ASP A 26 2.113 8.610 -12.703 1.00 0.00 H new ATOM 0 HB2 ASP A 26 0.395 7.477 -13.834 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.592 6.199 -13.783 1.00 0.00 H new ATOM 423 N THR A 27 0.834 7.103 -10.078 1.00 0.00 N ATOM 424 CA THR A 27 0.133 7.419 -8.807 1.00 0.00 C ATOM 425 C THR A 27 1.001 8.394 -8.006 1.00 0.00 C ATOM 426 O THR A 27 0.524 9.378 -7.476 1.00 0.00 O ATOM 427 CB THR A 27 -0.052 6.063 -8.098 1.00 0.00 C ATOM 428 OG1 THR A 27 -1.411 5.926 -7.710 1.00 0.00 O ATOM 429 CG2 THR A 27 0.838 5.957 -6.854 1.00 0.00 C ATOM 0 H THR A 27 1.095 6.125 -10.201 1.00 0.00 H new ATOM 0 HA THR A 27 -0.836 7.900 -8.941 1.00 0.00 H new ATOM 0 HB THR A 27 0.233 5.271 -8.791 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.537 5.065 -7.260 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.683 4.989 -6.377 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.884 6.055 -7.145 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.580 6.751 -6.154 1.00 0.00 H new ATOM 437 N LEU A 28 2.283 8.142 -7.945 1.00 0.00 N ATOM 438 CA LEU A 28 3.184 9.075 -7.216 1.00 0.00 C ATOM 439 C LEU A 28 3.087 10.444 -7.884 1.00 0.00 C ATOM 440 O LEU A 28 3.029 11.464 -7.229 1.00 0.00 O ATOM 441 CB LEU A 28 4.588 8.474 -7.368 1.00 0.00 C ATOM 442 CG LEU A 28 5.667 9.553 -7.186 1.00 0.00 C ATOM 443 CD1 LEU A 28 6.393 9.338 -5.859 1.00 0.00 C ATOM 444 CD2 LEU A 28 6.675 9.453 -8.333 1.00 0.00 C ATOM 0 H LEU A 28 2.740 7.334 -8.367 1.00 0.00 H new ATOM 0 HA LEU A 28 2.932 9.200 -6.163 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.731 7.683 -6.632 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.688 8.016 -8.352 1.00 0.00 H new ATOM 0 HG LEU A 28 5.199 10.537 -7.187 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.157 10.105 -5.734 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.678 9.401 -5.039 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.863 8.354 -5.856 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.443 10.216 -8.210 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.139 8.467 -8.325 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.162 9.605 -9.283 1.00 0.00 H new ATOM 456 N CYS A 29 3.052 10.472 -9.189 1.00 0.00 N ATOM 457 CA CYS A 29 2.937 11.778 -9.894 1.00 0.00 C ATOM 458 C CYS A 29 1.760 12.557 -9.305 1.00 0.00 C ATOM 459 O CYS A 29 1.721 13.771 -9.331 1.00 0.00 O ATOM 460 CB CYS A 29 2.671 11.426 -11.358 1.00 0.00 C ATOM 461 SG CYS A 29 3.645 12.515 -12.428 1.00 0.00 S ATOM 0 H CYS A 29 3.098 9.652 -9.793 1.00 0.00 H new ATOM 0 HA CYS A 29 3.830 12.395 -9.792 1.00 0.00 H new ATOM 0 HB2 CYS A 29 2.933 10.385 -11.546 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.610 11.533 -11.582 1.00 0.00 H new ATOM 0 HG CYS A 29 3.421 12.214 -13.673 1.00 0.00 H new ATOM 467 N GLU A 30 0.802 11.852 -8.765 1.00 0.00 N ATOM 468 CA GLU A 30 -0.376 12.519 -8.159 1.00 0.00 C ATOM 469 C GLU A 30 -0.113 12.791 -6.675 1.00 0.00 C ATOM 470 O GLU A 30 -0.568 13.773 -6.122 1.00 0.00 O ATOM 471 CB GLU A 30 -1.522 11.520 -8.328 1.00 0.00 C ATOM 472 CG GLU A 30 -2.673 11.897 -7.393 1.00 0.00 C ATOM 473 CD GLU A 30 -3.970 11.262 -7.897 1.00 0.00 C ATOM 474 OE1 GLU A 30 -3.959 10.732 -8.996 1.00 0.00 O ATOM 475 OE2 GLU A 30 -4.953 11.316 -7.176 1.00 0.00 O ATOM 0 H GLU A 30 0.789 10.833 -8.720 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.601 13.478 -8.625 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.866 11.517 -9.362 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.174 10.511 -8.105 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.459 11.556 -6.380 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.780 12.981 -7.349 1.00 0.00 H new ATOM 482 N LEU A 31 0.624 11.927 -6.028 1.00 0.00 N ATOM 483 CA LEU A 31 0.921 12.135 -4.583 1.00 0.00 C ATOM 484 C LEU A 31 2.135 13.043 -4.426 1.00 0.00 C ATOM 485 O LEU A 31 2.211 13.847 -3.518 1.00 0.00 O ATOM 486 CB LEU A 31 1.259 10.748 -4.028 1.00 0.00 C ATOM 487 CG LEU A 31 -0.018 10.038 -3.577 1.00 0.00 C ATOM 488 CD1 LEU A 31 0.192 8.524 -3.643 1.00 0.00 C ATOM 489 CD2 LEU A 31 -0.334 10.441 -2.136 1.00 0.00 C ATOM 0 H LEU A 31 1.032 11.087 -6.439 1.00 0.00 H new ATOM 0 HA LEU A 31 0.081 12.597 -4.065 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.764 10.155 -4.791 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.948 10.841 -3.189 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.844 10.321 -4.229 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.717 8.016 -3.322 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.427 8.234 -4.667 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.016 8.242 -2.987 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.244 9.938 -1.809 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.493 10.153 -1.488 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.477 11.520 -2.083 1.00 0.00 H new ATOM 501 N GLY A 32 3.102 12.894 -5.286 1.00 0.00 N ATOM 502 CA GLY A 32 4.332 13.718 -5.165 1.00 0.00 C ATOM 503 C GLY A 32 5.223 13.083 -4.099 1.00 0.00 C ATOM 504 O GLY A 32 6.203 13.655 -3.665 1.00 0.00 O ATOM 0 H GLY A 32 3.093 12.237 -6.066 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.855 13.765 -6.120 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.079 14.742 -4.890 1.00 0.00 H new ATOM 508 N HIS A 33 4.879 11.893 -3.674 1.00 0.00 N ATOM 509 CA HIS A 33 5.685 11.200 -2.636 1.00 0.00 C ATOM 510 C HIS A 33 7.173 11.272 -2.984 1.00 0.00 C ATOM 511 O HIS A 33 7.548 11.711 -4.053 1.00 0.00 O ATOM 512 CB HIS A 33 5.194 9.754 -2.669 1.00 0.00 C ATOM 513 CG HIS A 33 3.953 9.626 -1.828 1.00 0.00 C ATOM 514 ND1 HIS A 33 2.979 8.675 -2.086 1.00 0.00 N ATOM 515 CD2 HIS A 33 3.514 10.322 -0.729 1.00 0.00 C ATOM 516 CE1 HIS A 33 2.014 8.820 -1.159 1.00 0.00 C ATOM 517 NE2 HIS A 33 2.291 9.810 -0.308 1.00 0.00 N ATOM 0 H HIS A 33 4.068 11.372 -4.007 1.00 0.00 H new ATOM 0 HA HIS A 33 5.572 11.651 -1.650 1.00 0.00 H new ATOM 0 HB2 HIS A 33 4.983 9.454 -3.695 1.00 0.00 H new ATOM 0 HB3 HIS A 33 5.970 9.087 -2.295 1.00 0.00 H new ATOM 0 HD2 HIS A 33 4.039 11.143 -0.262 1.00 0.00 H new ATOM 0 HE1 HIS A 33 1.124 8.210 -1.110 1.00 0.00 H new ATOM 0 HE2 HIS A 33 1.727 10.124 0.482 1.00 0.00 H new ATOM 525 N GLU A 34 8.025 10.844 -2.093 1.00 0.00 N ATOM 526 CA GLU A 34 9.486 10.891 -2.386 1.00 0.00 C ATOM 527 C GLU A 34 9.910 9.650 -3.178 1.00 0.00 C ATOM 528 O GLU A 34 10.265 9.737 -4.337 1.00 0.00 O ATOM 529 CB GLU A 34 10.169 10.914 -1.019 1.00 0.00 C ATOM 530 CG GLU A 34 11.445 11.755 -1.102 1.00 0.00 C ATOM 531 CD GLU A 34 11.125 13.208 -0.745 1.00 0.00 C ATOM 532 OE1 GLU A 34 10.196 13.749 -1.323 1.00 0.00 O ATOM 533 OE2 GLU A 34 11.815 13.757 0.099 1.00 0.00 O ATOM 0 H GLU A 34 7.775 10.466 -1.179 1.00 0.00 H new ATOM 0 HA GLU A 34 9.755 11.759 -2.989 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.495 11.330 -0.270 1.00 0.00 H new ATOM 0 HB3 GLU A 34 10.409 9.899 -0.703 1.00 0.00 H new ATOM 0 HG2 GLU A 34 12.198 11.360 -0.421 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.864 11.700 -2.107 1.00 0.00 H new ATOM 540 N VAL A 35 9.883 8.497 -2.564 1.00 0.00 N ATOM 541 CA VAL A 35 10.294 7.257 -3.288 1.00 0.00 C ATOM 542 C VAL A 35 9.193 6.194 -3.204 1.00 0.00 C ATOM 543 O VAL A 35 8.647 5.935 -2.149 1.00 0.00 O ATOM 544 CB VAL A 35 11.556 6.781 -2.566 1.00 0.00 C ATOM 545 CG1 VAL A 35 12.482 7.973 -2.317 1.00 0.00 C ATOM 546 CG2 VAL A 35 11.175 6.151 -1.223 1.00 0.00 C ATOM 0 H VAL A 35 9.595 8.359 -1.595 1.00 0.00 H new ATOM 0 HA VAL A 35 10.471 7.440 -4.348 1.00 0.00 H new ATOM 0 HB VAL A 35 12.066 6.042 -3.184 1.00 0.00 H new ATOM 0 HG11 VAL A 35 13.381 7.634 -1.803 1.00 0.00 H new ATOM 0 HG12 VAL A 35 12.758 8.425 -3.270 1.00 0.00 H new ATOM 0 HG13 VAL A 35 11.968 8.711 -1.701 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.076 5.813 -0.711 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.663 6.890 -0.607 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.514 5.301 -1.394 1.00 0.00 H new ATOM 556 N ALA A 36 8.862 5.574 -4.307 1.00 0.00 N ATOM 557 CA ALA A 36 7.803 4.532 -4.285 1.00 0.00 C ATOM 558 C ALA A 36 8.412 3.146 -4.524 1.00 0.00 C ATOM 559 O ALA A 36 9.521 3.021 -5.005 1.00 0.00 O ATOM 560 CB ALA A 36 6.860 4.901 -5.430 1.00 0.00 C ATOM 0 H ALA A 36 9.282 5.747 -5.220 1.00 0.00 H new ATOM 0 HA ALA A 36 7.288 4.492 -3.325 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.047 4.176 -5.480 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.449 5.896 -5.257 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.410 4.895 -6.371 1.00 0.00 H new ATOM 566 N ALA A 37 7.692 2.103 -4.203 1.00 0.00 N ATOM 567 CA ALA A 37 8.233 0.729 -4.429 1.00 0.00 C ATOM 568 C ALA A 37 7.293 -0.058 -5.342 1.00 0.00 C ATOM 569 O ALA A 37 6.090 0.098 -5.297 1.00 0.00 O ATOM 570 CB ALA A 37 8.301 0.077 -3.047 1.00 0.00 C ATOM 0 H ALA A 37 6.757 2.142 -3.796 1.00 0.00 H new ATOM 0 HA ALA A 37 9.211 0.751 -4.909 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.691 -0.936 -3.142 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.958 0.660 -2.402 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.302 0.042 -2.612 1.00 0.00 H new ATOM 576 N THR A 38 7.835 -0.900 -6.173 1.00 0.00 N ATOM 577 CA THR A 38 6.977 -1.697 -7.094 1.00 0.00 C ATOM 578 C THR A 38 7.339 -3.184 -7.038 1.00 0.00 C ATOM 579 O THR A 38 8.282 -3.587 -6.388 1.00 0.00 O ATOM 580 CB THR A 38 7.238 -1.138 -8.494 1.00 0.00 C ATOM 581 OG1 THR A 38 6.827 -2.096 -9.459 1.00 0.00 O ATOM 582 CG2 THR A 38 8.729 -0.843 -8.672 1.00 0.00 C ATOM 0 H THR A 38 8.837 -1.072 -6.256 1.00 0.00 H new ATOM 0 HA THR A 38 5.926 -1.621 -6.816 1.00 0.00 H new ATOM 0 HB THR A 38 6.676 -0.213 -8.624 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.610 -2.582 -9.791 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.904 -0.446 -9.672 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.046 -0.111 -7.930 1.00 0.00 H new ATOM 0 HG23 THR A 38 9.300 -1.762 -8.542 1.00 0.00 H new ATOM 590 N ALA A 39 6.566 -3.993 -7.711 1.00 0.00 N ATOM 591 CA ALA A 39 6.796 -5.467 -7.710 1.00 0.00 C ATOM 592 C ALA A 39 6.848 -5.964 -6.271 1.00 0.00 C ATOM 593 O ALA A 39 7.012 -5.192 -5.362 1.00 0.00 O ATOM 594 CB ALA A 39 8.124 -5.709 -8.410 1.00 0.00 C ATOM 0 H ALA A 39 5.770 -3.689 -8.272 1.00 0.00 H new ATOM 0 HA ALA A 39 5.996 -6.001 -8.223 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.334 -6.778 -8.433 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.073 -5.328 -9.430 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.919 -5.195 -7.870 1.00 0.00 H new ATOM 600 N SER A 40 6.680 -7.234 -6.050 1.00 0.00 N ATOM 601 CA SER A 40 6.697 -7.742 -4.651 1.00 0.00 C ATOM 602 C SER A 40 8.131 -8.012 -4.196 1.00 0.00 C ATOM 603 O SER A 40 8.949 -8.514 -4.940 1.00 0.00 O ATOM 604 CB SER A 40 5.880 -9.027 -4.681 1.00 0.00 C ATOM 605 OG SER A 40 6.472 -9.947 -5.587 1.00 0.00 O ATOM 0 H SER A 40 6.532 -7.940 -6.771 1.00 0.00 H new ATOM 0 HA SER A 40 6.282 -7.020 -3.947 1.00 0.00 H new ATOM 0 HB2 SER A 40 5.833 -9.463 -3.683 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.855 -8.811 -4.984 1.00 0.00 H new ATOM 0 HG SER A 40 5.946 -10.774 -5.604 1.00 0.00 H new ATOM 611 N ARG A 41 8.437 -7.674 -2.974 1.00 0.00 N ATOM 612 CA ARG A 41 9.809 -7.898 -2.455 1.00 0.00 C ATOM 613 C ARG A 41 9.773 -8.016 -0.930 1.00 0.00 C ATOM 614 O ARG A 41 9.269 -7.149 -0.246 1.00 0.00 O ATOM 615 CB ARG A 41 10.596 -6.654 -2.874 1.00 0.00 C ATOM 616 CG ARG A 41 12.072 -7.012 -3.057 1.00 0.00 C ATOM 617 CD ARG A 41 12.242 -7.880 -4.304 1.00 0.00 C ATOM 618 NE ARG A 41 13.713 -8.044 -4.453 1.00 0.00 N ATOM 619 CZ ARG A 41 14.335 -8.991 -3.805 1.00 0.00 C ATOM 620 NH1 ARG A 41 14.335 -10.208 -4.273 1.00 0.00 N ATOM 621 NH2 ARG A 41 14.959 -8.717 -2.690 1.00 0.00 N ATOM 0 H ARG A 41 7.789 -7.250 -2.311 1.00 0.00 H new ATOM 0 HA ARG A 41 10.257 -8.814 -2.840 1.00 0.00 H new ATOM 0 HB2 ARG A 41 10.192 -6.253 -3.803 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.492 -5.875 -2.119 1.00 0.00 H new ATOM 0 HG2 ARG A 41 12.667 -6.104 -3.151 1.00 0.00 H new ATOM 0 HG3 ARG A 41 12.438 -7.544 -2.179 1.00 0.00 H new ATOM 0 HD2 ARG A 41 11.746 -8.844 -4.186 1.00 0.00 H new ATOM 0 HD3 ARG A 41 11.806 -7.402 -5.181 1.00 0.00 H new ATOM 0 HE ARG A 41 14.236 -7.415 -5.062 1.00 0.00 H new ATOM 0 HH11 ARG A 41 13.849 -10.419 -5.145 1.00 0.00 H new ATOM 0 HH12 ARG A 41 14.821 -10.949 -3.767 1.00 0.00 H new ATOM 0 HH21 ARG A 41 14.960 -7.764 -2.327 1.00 0.00 H new ATOM 0 HH22 ARG A 41 15.445 -9.456 -2.183 1.00 0.00 H new ATOM 635 N MET A 42 10.298 -9.080 -0.390 1.00 0.00 N ATOM 636 CA MET A 42 10.285 -9.238 1.090 1.00 0.00 C ATOM 637 C MET A 42 11.070 -8.099 1.747 1.00 0.00 C ATOM 638 O MET A 42 10.805 -7.712 2.868 1.00 0.00 O ATOM 639 CB MET A 42 10.964 -10.583 1.356 1.00 0.00 C ATOM 640 CG MET A 42 10.159 -11.704 0.696 1.00 0.00 C ATOM 641 SD MET A 42 10.782 -13.309 1.256 1.00 0.00 S ATOM 642 CE MET A 42 10.577 -14.190 -0.311 1.00 0.00 C ATOM 0 H MET A 42 10.734 -9.844 -0.907 1.00 0.00 H new ATOM 0 HA MET A 42 9.275 -9.207 1.500 1.00 0.00 H new ATOM 0 HB2 MET A 42 11.981 -10.572 0.964 1.00 0.00 H new ATOM 0 HB3 MET A 42 11.038 -10.758 2.429 1.00 0.00 H new ATOM 0 HG2 MET A 42 9.103 -11.604 0.948 1.00 0.00 H new ATOM 0 HG3 MET A 42 10.236 -11.631 -0.389 1.00 0.00 H new ATOM 0 HE1 MET A 42 10.907 -15.222 -0.194 1.00 0.00 H new ATOM 0 HE2 MET A 42 9.527 -14.175 -0.602 1.00 0.00 H new ATOM 0 HE3 MET A 42 11.174 -13.704 -1.083 1.00 0.00 H new ATOM 652 N GLN A 43 12.036 -7.560 1.053 1.00 0.00 N ATOM 653 CA GLN A 43 12.845 -6.447 1.626 1.00 0.00 C ATOM 654 C GLN A 43 12.035 -5.145 1.629 1.00 0.00 C ATOM 655 O GLN A 43 11.781 -4.566 2.667 1.00 0.00 O ATOM 656 CB GLN A 43 14.054 -6.322 0.697 1.00 0.00 C ATOM 657 CG GLN A 43 15.326 -6.742 1.438 1.00 0.00 C ATOM 658 CD GLN A 43 15.986 -5.511 2.059 1.00 0.00 C ATOM 659 OE1 GLN A 43 16.337 -4.579 1.362 1.00 0.00 O ATOM 660 NE2 GLN A 43 16.173 -5.468 3.351 1.00 0.00 N ATOM 0 H GLN A 43 12.300 -7.844 0.110 1.00 0.00 H new ATOM 0 HA GLN A 43 13.138 -6.639 2.658 1.00 0.00 H new ATOM 0 HB2 GLN A 43 13.913 -6.948 -0.184 1.00 0.00 H new ATOM 0 HB3 GLN A 43 14.149 -5.294 0.346 1.00 0.00 H new ATOM 0 HG2 GLN A 43 15.084 -7.468 2.214 1.00 0.00 H new ATOM 0 HG3 GLN A 43 16.016 -7.229 0.749 1.00 0.00 H new ATOM 0 HE21 GLN A 43 15.878 -6.250 3.935 1.00 0.00 H new ATOM 0 HE22 GLN A 43 16.614 -4.652 3.776 1.00 0.00 H new ATOM 669 N GLU A 44 11.627 -4.677 0.477 1.00 0.00 N ATOM 670 CA GLU A 44 10.837 -3.414 0.432 1.00 0.00 C ATOM 671 C GLU A 44 9.601 -3.547 1.316 1.00 0.00 C ATOM 672 O GLU A 44 9.284 -2.668 2.092 1.00 0.00 O ATOM 673 CB GLU A 44 10.436 -3.229 -1.032 1.00 0.00 C ATOM 674 CG GLU A 44 11.539 -2.462 -1.763 1.00 0.00 C ATOM 675 CD GLU A 44 12.773 -3.354 -1.906 1.00 0.00 C ATOM 676 OE1 GLU A 44 13.460 -3.545 -0.916 1.00 0.00 O ATOM 677 OE2 GLU A 44 13.009 -3.833 -3.002 1.00 0.00 O ATOM 0 H GLU A 44 11.806 -5.113 -0.428 1.00 0.00 H new ATOM 0 HA GLU A 44 11.407 -2.559 0.797 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.277 -4.199 -1.503 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.494 -2.685 -1.097 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.188 -2.148 -2.746 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.794 -1.557 -1.212 1.00 0.00 H new ATOM 684 N ALA A 45 8.910 -4.648 1.228 1.00 0.00 N ATOM 685 CA ALA A 45 7.716 -4.822 2.094 1.00 0.00 C ATOM 686 C ALA A 45 8.154 -4.589 3.532 1.00 0.00 C ATOM 687 O ALA A 45 7.480 -3.952 4.316 1.00 0.00 O ATOM 688 CB ALA A 45 7.265 -6.265 1.878 1.00 0.00 C ATOM 0 H ALA A 45 9.118 -5.426 0.601 1.00 0.00 H new ATOM 0 HA ALA A 45 6.902 -4.133 1.868 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.384 -6.466 2.488 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.020 -6.416 0.827 1.00 0.00 H new ATOM 0 HB3 ALA A 45 8.068 -6.944 2.165 1.00 0.00 H new ATOM 694 N LEU A 46 9.316 -5.076 3.853 1.00 0.00 N ATOM 695 CA LEU A 46 9.878 -4.875 5.207 1.00 0.00 C ATOM 696 C LEU A 46 10.030 -3.378 5.455 1.00 0.00 C ATOM 697 O LEU A 46 9.952 -2.906 6.573 1.00 0.00 O ATOM 698 CB LEU A 46 11.240 -5.560 5.138 1.00 0.00 C ATOM 699 CG LEU A 46 11.608 -6.090 6.515 1.00 0.00 C ATOM 700 CD1 LEU A 46 11.486 -4.961 7.527 1.00 0.00 C ATOM 701 CD2 LEU A 46 10.656 -7.227 6.892 1.00 0.00 C ATOM 0 H LEU A 46 9.908 -5.614 3.221 1.00 0.00 H new ATOM 0 HA LEU A 46 9.261 -5.275 6.011 1.00 0.00 H new ATOM 0 HB2 LEU A 46 11.213 -6.377 4.417 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.997 -4.856 4.793 1.00 0.00 H new ATOM 0 HG LEU A 46 12.631 -6.467 6.508 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.748 -5.331 8.518 1.00 0.00 H new ATOM 0 HD12 LEU A 46 12.162 -4.151 7.252 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.461 -4.591 7.537 1.00 0.00 H new ATOM 0 HD21 LEU A 46 10.918 -7.609 7.879 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.632 -6.854 6.907 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.739 -8.029 6.159 1.00 0.00 H new ATOM 713 N ASP A 47 10.239 -2.628 4.407 1.00 0.00 N ATOM 714 CA ASP A 47 10.390 -1.162 4.561 1.00 0.00 C ATOM 715 C ASP A 47 9.013 -0.503 4.693 1.00 0.00 C ATOM 716 O ASP A 47 8.850 0.454 5.410 1.00 0.00 O ATOM 717 CB ASP A 47 11.103 -0.691 3.290 1.00 0.00 C ATOM 718 CG ASP A 47 12.548 -1.196 3.298 1.00 0.00 C ATOM 719 OD1 ASP A 47 12.923 -1.844 4.261 1.00 0.00 O ATOM 720 OD2 ASP A 47 13.256 -0.926 2.341 1.00 0.00 O ATOM 0 H ASP A 47 10.311 -2.973 3.450 1.00 0.00 H new ATOM 0 HA ASP A 47 10.954 -0.897 5.455 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.581 -1.063 2.408 1.00 0.00 H new ATOM 0 HB3 ASP A 47 11.087 0.397 3.234 1.00 0.00 H new ATOM 725 N ILE A 48 8.014 -1.013 4.021 1.00 0.00 N ATOM 726 CA ILE A 48 6.660 -0.406 4.138 1.00 0.00 C ATOM 727 C ILE A 48 6.051 -0.799 5.482 1.00 0.00 C ATOM 728 O ILE A 48 4.982 -0.375 5.831 1.00 0.00 O ATOM 729 CB ILE A 48 5.808 -0.958 2.960 1.00 0.00 C ATOM 730 CG1 ILE A 48 5.041 -2.231 3.388 1.00 0.00 C ATOM 731 CG2 ILE A 48 6.701 -1.279 1.764 1.00 0.00 C ATOM 732 CD1 ILE A 48 4.596 -3.045 2.157 1.00 0.00 C ATOM 0 H ILE A 48 8.079 -1.819 3.400 1.00 0.00 H new ATOM 0 HA ILE A 48 6.700 0.682 4.091 1.00 0.00 H new ATOM 0 HB ILE A 48 5.088 -0.191 2.676 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.676 -2.846 4.025 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.169 -1.953 3.980 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.091 -1.664 0.947 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.213 -0.373 1.439 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.438 -2.029 2.051 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.059 -3.935 2.484 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.942 -2.435 1.534 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.472 -3.341 1.581 1.00 0.00 H new ATOM 744 N ALA A 49 6.706 -1.648 6.220 1.00 0.00 N ATOM 745 CA ALA A 49 6.137 -2.085 7.521 1.00 0.00 C ATOM 746 C ALA A 49 6.705 -1.293 8.712 1.00 0.00 C ATOM 747 O ALA A 49 6.006 -0.550 9.371 1.00 0.00 O ATOM 748 CB ALA A 49 6.522 -3.565 7.633 1.00 0.00 C ATOM 0 H ALA A 49 7.609 -2.057 5.979 1.00 0.00 H new ATOM 0 HA ALA A 49 5.060 -1.917 7.552 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.140 -3.971 8.570 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.093 -4.117 6.797 1.00 0.00 H new ATOM 0 HB3 ALA A 49 7.608 -3.661 7.612 1.00 0.00 H new ATOM 754 N ARG A 50 7.960 -1.500 9.013 1.00 0.00 N ATOM 755 CA ARG A 50 8.594 -0.827 10.194 1.00 0.00 C ATOM 756 C ARG A 50 8.386 0.688 10.207 1.00 0.00 C ATOM 757 O ARG A 50 8.505 1.320 11.239 1.00 0.00 O ATOM 758 CB ARG A 50 10.080 -1.145 10.074 1.00 0.00 C ATOM 759 CG ARG A 50 10.364 -2.482 10.750 1.00 0.00 C ATOM 760 CD ARG A 50 11.024 -3.422 9.745 1.00 0.00 C ATOM 761 NE ARG A 50 12.460 -3.462 10.147 1.00 0.00 N ATOM 762 CZ ARG A 50 13.386 -3.092 9.305 1.00 0.00 C ATOM 763 NH1 ARG A 50 13.658 -1.825 9.150 1.00 0.00 N ATOM 764 NH2 ARG A 50 14.039 -3.988 8.615 1.00 0.00 N ATOM 0 H ARG A 50 8.583 -2.113 8.487 1.00 0.00 H new ATOM 0 HA ARG A 50 8.145 -1.187 11.120 1.00 0.00 H new ATOM 0 HB2 ARG A 50 10.372 -1.186 9.025 1.00 0.00 H new ATOM 0 HB3 ARG A 50 10.671 -0.356 10.539 1.00 0.00 H new ATOM 0 HG2 ARG A 50 11.015 -2.336 11.612 1.00 0.00 H new ATOM 0 HG3 ARG A 50 9.437 -2.920 11.121 1.00 0.00 H new ATOM 0 HD2 ARG A 50 10.576 -4.415 9.779 1.00 0.00 H new ATOM 0 HD3 ARG A 50 10.909 -3.055 8.725 1.00 0.00 H new ATOM 0 HE ARG A 50 12.719 -3.779 11.081 1.00 0.00 H new ATOM 0 HH11 ARG A 50 13.147 -1.124 9.687 1.00 0.00 H new ATOM 0 HH12 ARG A 50 14.382 -1.536 8.492 1.00 0.00 H new ATOM 0 HH21 ARG A 50 13.826 -4.978 8.734 1.00 0.00 H new ATOM 0 HH22 ARG A 50 14.762 -3.698 7.957 1.00 0.00 H new ATOM 778 N LYS A 51 8.094 1.292 9.094 1.00 0.00 N ATOM 779 CA LYS A 51 7.907 2.773 9.112 1.00 0.00 C ATOM 780 C LYS A 51 6.836 3.141 10.135 1.00 0.00 C ATOM 781 O LYS A 51 6.979 4.082 10.889 1.00 0.00 O ATOM 782 CB LYS A 51 7.444 3.181 7.711 1.00 0.00 C ATOM 783 CG LYS A 51 8.364 2.592 6.648 1.00 0.00 C ATOM 784 CD LYS A 51 9.400 3.639 6.225 1.00 0.00 C ATOM 785 CE LYS A 51 10.540 2.956 5.467 1.00 0.00 C ATOM 786 NZ LYS A 51 11.594 2.714 6.490 1.00 0.00 N ATOM 0 H LYS A 51 7.978 0.840 8.187 1.00 0.00 H new ATOM 0 HA LYS A 51 8.832 3.283 9.382 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.423 2.838 7.546 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.433 4.268 7.628 1.00 0.00 H new ATOM 0 HG2 LYS A 51 8.866 1.706 7.038 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.781 2.274 5.784 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.932 4.394 5.594 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.791 4.154 7.103 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.208 2.022 5.014 1.00 0.00 H new ATOM 0 HE3 LYS A 51 10.911 3.588 4.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 12.410 2.247 6.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 11.895 3.621 6.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 11.214 2.104 7.242 1.00 0.00 H new ATOM 800 N GLY A 52 5.749 2.418 10.149 1.00 0.00 N ATOM 801 CA GLY A 52 4.655 2.743 11.105 1.00 0.00 C ATOM 802 C GLY A 52 3.963 4.026 10.640 1.00 0.00 C ATOM 803 O GLY A 52 3.060 4.529 11.279 1.00 0.00 O ATOM 0 H GLY A 52 5.572 1.618 9.541 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.938 1.923 11.152 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.057 2.873 12.110 1.00 0.00 H new ATOM 807 N GLN A 53 4.381 4.551 9.521 1.00 0.00 N ATOM 808 CA GLN A 53 3.767 5.789 8.986 1.00 0.00 C ATOM 809 C GLN A 53 4.303 6.026 7.577 1.00 0.00 C ATOM 810 O GLN A 53 4.524 7.143 7.159 1.00 0.00 O ATOM 811 CB GLN A 53 4.197 6.907 9.938 1.00 0.00 C ATOM 812 CG GLN A 53 5.721 7.049 9.916 1.00 0.00 C ATOM 813 CD GLN A 53 6.233 7.262 11.341 1.00 0.00 C ATOM 814 OE1 GLN A 53 6.470 8.380 11.754 1.00 0.00 O ATOM 815 NE2 GLN A 53 6.412 6.227 12.115 1.00 0.00 N ATOM 0 H GLN A 53 5.133 4.165 8.950 1.00 0.00 H new ATOM 0 HA GLN A 53 2.680 5.737 8.924 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.731 7.847 9.644 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.858 6.686 10.950 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.174 6.156 9.485 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.010 7.889 9.285 1.00 0.00 H new ATOM 0 HE21 GLN A 53 6.213 5.289 11.767 1.00 0.00 H new ATOM 0 HE22 GLN A 53 6.751 6.356 13.068 1.00 0.00 H new ATOM 824 N PHE A 54 4.504 4.963 6.842 1.00 0.00 N ATOM 825 CA PHE A 54 5.020 5.085 5.446 1.00 0.00 C ATOM 826 C PHE A 54 3.922 5.623 4.515 1.00 0.00 C ATOM 827 O PHE A 54 4.093 5.683 3.314 1.00 0.00 O ATOM 828 CB PHE A 54 5.431 3.661 5.045 1.00 0.00 C ATOM 829 CG PHE A 54 4.272 2.714 5.257 1.00 0.00 C ATOM 830 CD1 PHE A 54 3.268 2.619 4.292 1.00 0.00 C ATOM 831 CD2 PHE A 54 4.196 1.933 6.417 1.00 0.00 C ATOM 832 CE1 PHE A 54 2.192 1.752 4.490 1.00 0.00 C ATOM 833 CE2 PHE A 54 3.117 1.070 6.612 1.00 0.00 C ATOM 834 CZ PHE A 54 2.116 0.976 5.648 1.00 0.00 C ATOM 0 H PHE A 54 4.331 4.007 7.152 1.00 0.00 H new ATOM 0 HA PHE A 54 5.856 5.781 5.374 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.741 3.643 4.000 1.00 0.00 H new ATOM 0 HB3 PHE A 54 6.288 3.340 5.637 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.324 3.215 3.393 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.975 1.999 7.163 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.415 1.681 3.744 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.058 0.474 7.511 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.283 0.305 5.796 1.00 0.00 H new ATOM 844 N ASP A 55 2.799 6.015 5.072 1.00 0.00 N ATOM 845 CA ASP A 55 1.673 6.563 4.256 1.00 0.00 C ATOM 846 C ASP A 55 0.895 5.436 3.578 1.00 0.00 C ATOM 847 O ASP A 55 -0.241 5.203 3.909 1.00 0.00 O ATOM 848 CB ASP A 55 2.308 7.491 3.229 1.00 0.00 C ATOM 849 CG ASP A 55 1.269 8.500 2.734 1.00 0.00 C ATOM 850 OD1 ASP A 55 0.103 8.144 2.683 1.00 0.00 O ATOM 851 OD2 ASP A 55 1.657 9.612 2.413 1.00 0.00 O ATOM 0 H ASP A 55 2.615 5.976 6.075 1.00 0.00 H new ATOM 0 HA ASP A 55 0.956 7.100 4.877 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.155 8.014 3.672 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.695 6.911 2.391 1.00 0.00 H new ATOM 856 N ILE A 56 1.473 4.740 2.628 1.00 0.00 N ATOM 857 CA ILE A 56 0.695 3.641 1.960 1.00 0.00 C ATOM 858 C ILE A 56 1.590 2.437 1.607 1.00 0.00 C ATOM 859 O ILE A 56 2.748 2.594 1.274 1.00 0.00 O ATOM 860 CB ILE A 56 0.123 4.290 0.703 1.00 0.00 C ATOM 861 CG1 ILE A 56 -0.896 5.361 1.122 1.00 0.00 C ATOM 862 CG2 ILE A 56 -0.558 3.220 -0.150 1.00 0.00 C ATOM 863 CD1 ILE A 56 -1.818 5.700 -0.051 1.00 0.00 C ATOM 0 H ILE A 56 2.426 4.877 2.290 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.080 3.239 2.612 1.00 0.00 H new ATOM 0 HB ILE A 56 0.918 4.754 0.120 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.486 5.002 1.966 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.375 6.258 1.456 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.969 3.679 -1.050 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.171 2.460 -0.431 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.363 2.757 0.421 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.536 6.460 0.258 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.224 6.079 -0.883 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.352 4.803 -0.365 1.00 0.00 H new ATOM 875 N ALA A 57 1.061 1.226 1.695 1.00 0.00 N ATOM 876 CA ALA A 57 1.899 0.021 1.379 1.00 0.00 C ATOM 877 C ALA A 57 1.014 -1.150 0.952 1.00 0.00 C ATOM 878 O ALA A 57 0.061 -1.481 1.621 1.00 0.00 O ATOM 879 CB ALA A 57 2.620 -0.314 2.678 1.00 0.00 C ATOM 0 H ALA A 57 0.099 1.028 1.968 1.00 0.00 H new ATOM 0 HA ALA A 57 2.592 0.213 0.560 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.255 -1.187 2.527 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.235 0.533 2.982 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.887 -0.528 3.456 1.00 0.00 H new ATOM 885 N ILE A 58 1.304 -1.780 -0.155 1.00 0.00 N ATOM 886 CA ILE A 58 0.429 -2.906 -0.592 1.00 0.00 C ATOM 887 C ILE A 58 1.219 -4.154 -1.016 1.00 0.00 C ATOM 888 O ILE A 58 1.657 -4.276 -2.143 1.00 0.00 O ATOM 889 CB ILE A 58 -0.354 -2.346 -1.782 1.00 0.00 C ATOM 890 CG1 ILE A 58 -1.206 -1.161 -1.322 1.00 0.00 C ATOM 891 CG2 ILE A 58 -1.270 -3.430 -2.351 1.00 0.00 C ATOM 892 CD1 ILE A 58 -0.327 0.080 -1.177 1.00 0.00 C ATOM 0 H ILE A 58 2.093 -1.569 -0.766 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.207 -3.239 0.228 1.00 0.00 H new ATOM 0 HB ILE A 58 0.347 -2.019 -2.550 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.002 -0.972 -2.042 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.685 -1.393 -0.371 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.826 -3.029 -3.198 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.669 -4.278 -2.680 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.968 -3.757 -1.581 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.937 0.922 -0.849 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.453 -0.111 -0.440 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.131 0.316 -2.138 1.00 0.00 H new ATOM 904 N ILE A 59 1.342 -5.105 -0.129 1.00 0.00 N ATOM 905 CA ILE A 59 2.034 -6.384 -0.474 1.00 0.00 C ATOM 906 C ILE A 59 1.012 -7.286 -1.174 1.00 0.00 C ATOM 907 O ILE A 59 0.703 -8.379 -0.741 1.00 0.00 O ATOM 908 CB ILE A 59 2.469 -6.970 0.874 1.00 0.00 C ATOM 909 CG1 ILE A 59 3.724 -6.245 1.365 1.00 0.00 C ATOM 910 CG2 ILE A 59 2.778 -8.459 0.721 1.00 0.00 C ATOM 911 CD1 ILE A 59 3.572 -5.916 2.850 1.00 0.00 C ATOM 0 H ILE A 59 0.991 -5.051 0.827 1.00 0.00 H new ATOM 0 HA ILE A 59 2.892 -6.267 -1.136 1.00 0.00 H new ATOM 0 HB ILE A 59 1.661 -6.841 1.594 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.603 -6.870 1.208 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.876 -5.330 0.792 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.086 -8.867 1.683 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.887 -8.982 0.374 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.582 -8.591 -0.003 1.00 0.00 H new ATOM 0 HD11 ILE A 59 4.465 -5.399 3.202 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.702 -5.275 2.993 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.440 -6.839 3.415 1.00 0.00 H new ATOM 923 N ASP A 60 0.467 -6.793 -2.252 1.00 0.00 N ATOM 924 CA ASP A 60 -0.567 -7.545 -3.016 1.00 0.00 C ATOM 925 C ASP A 60 -0.147 -9.005 -3.213 1.00 0.00 C ATOM 926 O ASP A 60 0.940 -9.402 -2.849 1.00 0.00 O ATOM 927 CB ASP A 60 -0.646 -6.794 -4.348 1.00 0.00 C ATOM 928 CG ASP A 60 -1.233 -7.694 -5.431 1.00 0.00 C ATOM 929 OD1 ASP A 60 -2.265 -8.297 -5.184 1.00 0.00 O ATOM 930 OD2 ASP A 60 -0.645 -7.756 -6.496 1.00 0.00 O ATOM 0 H ASP A 60 0.701 -5.880 -2.643 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.529 -7.589 -2.506 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.262 -5.902 -4.234 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.348 -6.459 -4.644 1.00 0.00 H new ATOM 935 N VAL A 61 -1.017 -9.802 -3.774 1.00 0.00 N ATOM 936 CA VAL A 61 -0.704 -11.245 -3.995 1.00 0.00 C ATOM 937 C VAL A 61 -0.295 -11.911 -2.665 1.00 0.00 C ATOM 938 O VAL A 61 0.854 -12.174 -2.385 1.00 0.00 O ATOM 939 CB VAL A 61 0.390 -11.265 -5.090 1.00 0.00 C ATOM 940 CG1 VAL A 61 1.780 -11.578 -4.527 1.00 0.00 C ATOM 941 CG2 VAL A 61 0.028 -12.332 -6.127 1.00 0.00 C ATOM 0 H VAL A 61 -1.942 -9.512 -4.092 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.559 -11.830 -4.335 1.00 0.00 H new ATOM 0 HB VAL A 61 0.430 -10.271 -5.535 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.509 -11.579 -5.337 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.055 -10.820 -3.793 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.767 -12.558 -4.049 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.791 -12.357 -6.905 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.028 -13.307 -5.642 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.937 -12.093 -6.573 1.00 0.00 H new ATOM 951 N ASN A 62 -1.279 -12.183 -1.847 1.00 0.00 N ATOM 952 CA ASN A 62 -1.052 -12.846 -0.524 1.00 0.00 C ATOM 953 C ASN A 62 -2.128 -13.906 -0.329 1.00 0.00 C ATOM 954 O ASN A 62 -3.302 -13.621 -0.422 1.00 0.00 O ATOM 955 CB ASN A 62 -1.215 -11.740 0.525 1.00 0.00 C ATOM 956 CG ASN A 62 -0.046 -10.750 0.449 1.00 0.00 C ATOM 957 OD1 ASN A 62 -0.096 -9.694 1.047 1.00 0.00 O ATOM 958 ND2 ASN A 62 1.010 -11.043 -0.259 1.00 0.00 N ATOM 0 H ASN A 62 -2.256 -11.968 -2.045 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.074 -13.321 -0.452 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.156 -11.214 0.364 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.262 -12.180 1.521 1.00 0.00 H new ATOM 0 HD21 ASN A 62 1.789 -10.386 -0.309 1.00 0.00 H new ATOM 0 HD22 ASN A 62 1.057 -11.929 -0.763 1.00 0.00 H new ATOM 965 N LEU A 63 -1.755 -15.119 -0.061 1.00 0.00 N ATOM 966 CA LEU A 63 -2.790 -16.169 0.133 1.00 0.00 C ATOM 967 C LEU A 63 -2.117 -17.432 0.637 1.00 0.00 C ATOM 968 O LEU A 63 -0.913 -17.572 0.552 1.00 0.00 O ATOM 969 CB LEU A 63 -3.411 -16.391 -1.248 1.00 0.00 C ATOM 970 CG LEU A 63 -4.933 -16.231 -1.158 1.00 0.00 C ATOM 971 CD1 LEU A 63 -5.326 -14.789 -1.493 1.00 0.00 C ATOM 972 CD2 LEU A 63 -5.608 -17.177 -2.152 1.00 0.00 C ATOM 0 H LEU A 63 -0.788 -15.430 0.032 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.552 -15.887 0.860 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.001 -15.676 -1.961 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.161 -17.386 -1.615 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.255 -16.470 -0.144 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.409 -14.682 -1.427 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.851 -14.109 -0.786 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.999 -14.548 -2.504 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.690 -17.062 -2.087 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -5.278 -16.938 -3.163 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.338 -18.206 -1.916 1.00 0.00 H new ATOM 984 N ASP A 64 -2.856 -18.350 1.178 1.00 0.00 N ATOM 985 CA ASP A 64 -2.189 -19.568 1.684 1.00 0.00 C ATOM 986 C ASP A 64 -1.083 -19.139 2.645 1.00 0.00 C ATOM 987 O ASP A 64 -0.128 -19.856 2.874 1.00 0.00 O ATOM 988 CB ASP A 64 -1.586 -20.213 0.434 1.00 0.00 C ATOM 989 CG ASP A 64 -2.338 -21.506 0.111 1.00 0.00 C ATOM 990 OD1 ASP A 64 -3.218 -21.864 0.878 1.00 0.00 O ATOM 991 OD2 ASP A 64 -2.022 -22.116 -0.897 1.00 0.00 O ATOM 0 H ASP A 64 -3.869 -18.312 1.290 1.00 0.00 H new ATOM 0 HA ASP A 64 -2.855 -20.250 2.213 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.647 -19.524 -0.409 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.529 -20.426 0.596 1.00 0.00 H new ATOM 996 N GLY A 65 -1.189 -17.947 3.180 1.00 0.00 N ATOM 997 CA GLY A 65 -0.124 -17.452 4.090 1.00 0.00 C ATOM 998 C GLY A 65 1.205 -17.643 3.374 1.00 0.00 C ATOM 999 O GLY A 65 2.063 -18.374 3.825 1.00 0.00 O ATOM 0 H GLY A 65 -1.964 -17.303 3.024 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.283 -16.401 4.332 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.136 -18.002 5.031 1.00 0.00 H new ATOM 1003 N GLU A 66 1.369 -17.028 2.233 1.00 0.00 N ATOM 1004 CA GLU A 66 2.626 -17.230 1.483 1.00 0.00 C ATOM 1005 C GLU A 66 3.296 -15.909 1.057 1.00 0.00 C ATOM 1006 O GLU A 66 4.188 -15.446 1.740 1.00 0.00 O ATOM 1007 CB GLU A 66 2.222 -18.097 0.295 1.00 0.00 C ATOM 1008 CG GLU A 66 2.195 -19.566 0.718 1.00 0.00 C ATOM 1009 CD GLU A 66 1.765 -20.433 -0.467 1.00 0.00 C ATOM 1010 OE1 GLU A 66 0.990 -19.953 -1.278 1.00 0.00 O ATOM 1011 OE2 GLU A 66 2.217 -21.563 -0.543 1.00 0.00 O ATOM 0 H GLU A 66 0.691 -16.403 1.798 1.00 0.00 H new ATOM 0 HA GLU A 66 3.390 -17.707 2.097 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.241 -17.795 -0.071 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.925 -17.957 -0.526 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.181 -19.873 1.067 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.505 -19.703 1.551 1.00 0.00 H new ATOM 1018 N PRO A 67 2.889 -15.341 -0.058 1.00 0.00 N ATOM 1019 CA PRO A 67 3.529 -14.084 -0.527 1.00 0.00 C ATOM 1020 C PRO A 67 3.162 -12.856 0.329 1.00 0.00 C ATOM 1021 O PRO A 67 3.307 -11.734 -0.112 1.00 0.00 O ATOM 1022 CB PRO A 67 3.002 -13.931 -1.948 1.00 0.00 C ATOM 1023 CG PRO A 67 1.715 -14.690 -1.983 1.00 0.00 C ATOM 1024 CD PRO A 67 1.830 -15.787 -0.978 1.00 0.00 C ATOM 0 HA PRO A 67 4.616 -14.139 -0.461 1.00 0.00 H new ATOM 0 HB2 PRO A 67 2.845 -12.881 -2.197 1.00 0.00 H new ATOM 0 HB3 PRO A 67 3.711 -14.328 -2.674 1.00 0.00 H new ATOM 0 HG2 PRO A 67 0.875 -14.037 -1.747 1.00 0.00 H new ATOM 0 HG3 PRO A 67 1.533 -15.096 -2.978 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.888 -15.943 -0.452 1.00 0.00 H new ATOM 0 HD3 PRO A 67 2.090 -16.733 -1.452 1.00 0.00 H new ATOM 1032 N SER A 68 2.710 -13.040 1.543 1.00 0.00 N ATOM 1033 CA SER A 68 2.362 -11.860 2.393 1.00 0.00 C ATOM 1034 C SER A 68 3.256 -11.820 3.637 1.00 0.00 C ATOM 1035 O SER A 68 3.364 -10.809 4.303 1.00 0.00 O ATOM 1036 CB SER A 68 0.906 -12.084 2.794 1.00 0.00 C ATOM 1037 OG SER A 68 0.860 -12.697 4.077 1.00 0.00 O ATOM 0 H SER A 68 2.567 -13.950 1.981 1.00 0.00 H new ATOM 0 HA SER A 68 2.505 -10.916 1.868 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.372 -11.134 2.813 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.407 -12.715 2.059 1.00 0.00 H new ATOM 0 HG SER A 68 -0.065 -12.708 4.401 1.00 0.00 H new ATOM 1043 N TYR A 69 3.896 -12.921 3.940 1.00 0.00 N ATOM 1044 CA TYR A 69 4.790 -13.008 5.134 1.00 0.00 C ATOM 1045 C TYR A 69 4.100 -12.402 6.359 1.00 0.00 C ATOM 1046 O TYR A 69 3.014 -11.865 6.265 1.00 0.00 O ATOM 1047 CB TYR A 69 6.105 -12.261 4.799 1.00 0.00 C ATOM 1048 CG TYR A 69 5.968 -11.353 3.594 1.00 0.00 C ATOM 1049 CD1 TYR A 69 5.708 -11.884 2.323 1.00 0.00 C ATOM 1050 CD2 TYR A 69 6.112 -9.972 3.757 1.00 0.00 C ATOM 1051 CE1 TYR A 69 5.593 -11.028 1.218 1.00 0.00 C ATOM 1052 CE2 TYR A 69 5.996 -9.118 2.655 1.00 0.00 C ATOM 1053 CZ TYR A 69 5.736 -9.645 1.386 1.00 0.00 C ATOM 1054 OH TYR A 69 5.624 -8.802 0.298 1.00 0.00 O ATOM 0 H TYR A 69 3.834 -13.782 3.397 1.00 0.00 H new ATOM 0 HA TYR A 69 5.012 -14.048 5.373 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.413 -11.670 5.662 1.00 0.00 H new ATOM 0 HB3 TYR A 69 6.895 -12.989 4.613 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.596 -12.951 2.195 1.00 0.00 H new ATOM 0 HD2 TYR A 69 6.313 -9.563 4.736 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.394 -11.435 0.238 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.107 -8.052 2.784 1.00 0.00 H new ATOM 0 HH TYR A 69 5.415 -9.327 -0.503 1.00 0.00 H new ATOM 1064 N PRO A 70 4.748 -12.525 7.481 1.00 0.00 N ATOM 1065 CA PRO A 70 4.180 -11.993 8.741 1.00 0.00 C ATOM 1066 C PRO A 70 4.152 -10.465 8.720 1.00 0.00 C ATOM 1067 O PRO A 70 3.564 -9.840 9.574 1.00 0.00 O ATOM 1068 CB PRO A 70 5.142 -12.508 9.810 1.00 0.00 C ATOM 1069 CG PRO A 70 6.426 -12.740 9.085 1.00 0.00 C ATOM 1070 CD PRO A 70 6.054 -13.163 7.690 1.00 0.00 C ATOM 0 HA PRO A 70 3.150 -12.307 8.911 1.00 0.00 H new ATOM 0 HB2 PRO A 70 5.267 -11.782 10.613 1.00 0.00 H new ATOM 0 HB3 PRO A 70 4.773 -13.427 10.265 1.00 0.00 H new ATOM 0 HG2 PRO A 70 7.032 -11.834 9.068 1.00 0.00 H new ATOM 0 HG3 PRO A 70 7.018 -13.510 9.580 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.788 -12.826 6.958 1.00 0.00 H new ATOM 0 HD3 PRO A 70 5.991 -14.248 7.602 1.00 0.00 H new ATOM 1078 N VAL A 71 4.772 -9.848 7.756 1.00 0.00 N ATOM 1079 CA VAL A 71 4.757 -8.358 7.727 1.00 0.00 C ATOM 1080 C VAL A 71 3.386 -7.851 7.279 1.00 0.00 C ATOM 1081 O VAL A 71 2.654 -7.249 8.039 1.00 0.00 O ATOM 1082 CB VAL A 71 5.815 -7.969 6.704 1.00 0.00 C ATOM 1083 CG1 VAL A 71 5.952 -6.447 6.651 1.00 0.00 C ATOM 1084 CG2 VAL A 71 7.159 -8.590 7.086 1.00 0.00 C ATOM 0 H VAL A 71 5.282 -10.300 6.997 1.00 0.00 H new ATOM 0 HA VAL A 71 4.956 -7.929 8.709 1.00 0.00 H new ATOM 0 HB VAL A 71 5.513 -8.338 5.724 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.711 -6.175 5.917 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.997 -6.005 6.366 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.246 -6.074 7.632 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.912 -8.308 6.350 1.00 0.00 H new ATOM 0 HG22 VAL A 71 7.460 -8.230 8.070 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.064 -9.676 7.111 1.00 0.00 H new ATOM 1094 N ALA A 72 3.039 -8.097 6.047 1.00 0.00 N ATOM 1095 CA ALA A 72 1.719 -7.643 5.531 1.00 0.00 C ATOM 1096 C ALA A 72 0.601 -8.151 6.431 1.00 0.00 C ATOM 1097 O ALA A 72 -0.251 -7.401 6.863 1.00 0.00 O ATOM 1098 CB ALA A 72 1.606 -8.278 4.155 1.00 0.00 C ATOM 0 H ALA A 72 3.617 -8.596 5.371 1.00 0.00 H new ATOM 0 HA ALA A 72 1.638 -6.556 5.498 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.657 -7.994 3.700 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.427 -7.933 3.527 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.653 -9.363 4.250 1.00 0.00 H new ATOM 1104 N ASP A 73 0.595 -9.422 6.720 1.00 0.00 N ATOM 1105 CA ASP A 73 -0.475 -9.959 7.592 1.00 0.00 C ATOM 1106 C ASP A 73 -0.530 -9.145 8.881 1.00 0.00 C ATOM 1107 O ASP A 73 -1.559 -8.625 9.261 1.00 0.00 O ATOM 1108 CB ASP A 73 -0.067 -11.394 7.881 1.00 0.00 C ATOM 1109 CG ASP A 73 -0.683 -12.324 6.835 1.00 0.00 C ATOM 1110 OD1 ASP A 73 -1.820 -12.091 6.462 1.00 0.00 O ATOM 1111 OD2 ASP A 73 -0.006 -13.252 6.425 1.00 0.00 O ATOM 0 H ASP A 73 1.279 -10.103 6.392 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.461 -9.909 7.131 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.019 -11.484 7.867 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.398 -11.683 8.879 1.00 0.00 H new ATOM 1116 N ILE A 74 0.585 -9.016 9.543 1.00 0.00 N ATOM 1117 CA ILE A 74 0.613 -8.214 10.800 1.00 0.00 C ATOM 1118 C ILE A 74 0.203 -6.784 10.470 1.00 0.00 C ATOM 1119 O ILE A 74 -0.625 -6.186 11.130 1.00 0.00 O ATOM 1120 CB ILE A 74 2.064 -8.250 11.282 1.00 0.00 C ATOM 1121 CG1 ILE A 74 2.349 -9.584 11.973 1.00 0.00 C ATOM 1122 CG2 ILE A 74 2.302 -7.113 12.279 1.00 0.00 C ATOM 1123 CD1 ILE A 74 3.863 -9.792 12.062 1.00 0.00 C ATOM 0 H ILE A 74 1.477 -9.429 9.270 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.064 -8.600 11.562 1.00 0.00 H new ATOM 0 HB ILE A 74 2.725 -8.134 10.423 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.910 -9.592 12.971 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.890 -10.401 11.416 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.336 -7.140 12.622 1.00 0.00 H new ATOM 0 HG22 ILE A 74 2.105 -6.157 11.794 1.00 0.00 H new ATOM 0 HG23 ILE A 74 1.634 -7.231 13.132 1.00 0.00 H new ATOM 0 HD11 ILE A 74 4.071 -10.742 12.554 1.00 0.00 H new ATOM 0 HD12 ILE A 74 4.288 -9.802 11.059 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.309 -8.980 12.637 1.00 0.00 H new ATOM 1135 N LEU A 75 0.774 -6.242 9.431 1.00 0.00 N ATOM 1136 CA LEU A 75 0.420 -4.862 9.022 1.00 0.00 C ATOM 1137 C LEU A 75 -1.098 -4.753 8.891 1.00 0.00 C ATOM 1138 O LEU A 75 -1.680 -3.768 9.258 1.00 0.00 O ATOM 1139 CB LEU A 75 1.109 -4.673 7.667 1.00 0.00 C ATOM 1140 CG LEU A 75 1.499 -3.205 7.497 1.00 0.00 C ATOM 1141 CD1 LEU A 75 2.905 -2.983 8.056 1.00 0.00 C ATOM 1142 CD2 LEU A 75 1.475 -2.838 6.012 1.00 0.00 C ATOM 0 H LEU A 75 1.473 -6.701 8.847 1.00 0.00 H new ATOM 0 HA LEU A 75 0.735 -4.103 9.738 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.995 -5.306 7.605 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.442 -4.979 6.861 1.00 0.00 H new ATOM 0 HG LEU A 75 0.791 -2.576 8.037 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.184 -1.936 7.935 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.921 -3.243 9.114 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.614 -3.612 7.518 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.753 -1.791 5.891 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.182 -3.466 5.471 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.472 -2.995 5.615 1.00 0.00 H new ATOM 1154 N ALA A 76 -1.740 -5.765 8.378 1.00 0.00 N ATOM 1155 CA ALA A 76 -3.225 -5.713 8.228 1.00 0.00 C ATOM 1156 C ALA A 76 -3.925 -5.657 9.592 1.00 0.00 C ATOM 1157 O ALA A 76 -4.639 -4.722 9.895 1.00 0.00 O ATOM 1158 CB ALA A 76 -3.587 -7.005 7.495 1.00 0.00 C ATOM 0 H ALA A 76 -1.302 -6.628 8.055 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.544 -4.821 7.689 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.666 -7.047 7.343 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.083 -7.028 6.529 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.270 -7.862 8.090 1.00 0.00 H new ATOM 1164 N GLU A 77 -3.745 -6.659 10.404 1.00 0.00 N ATOM 1165 CA GLU A 77 -4.418 -6.680 11.736 1.00 0.00 C ATOM 1166 C GLU A 77 -4.089 -5.425 12.556 1.00 0.00 C ATOM 1167 O GLU A 77 -4.792 -5.086 13.488 1.00 0.00 O ATOM 1168 CB GLU A 77 -3.878 -7.934 12.426 1.00 0.00 C ATOM 1169 CG GLU A 77 -2.423 -7.713 12.853 1.00 0.00 C ATOM 1170 CD GLU A 77 -2.276 -8.036 14.342 1.00 0.00 C ATOM 1171 OE1 GLU A 77 -2.270 -9.211 14.675 1.00 0.00 O ATOM 1172 OE2 GLU A 77 -2.171 -7.105 15.123 1.00 0.00 O ATOM 0 H GLU A 77 -3.159 -7.469 10.204 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.503 -6.693 11.637 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -4.489 -8.171 13.297 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.942 -8.787 11.750 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -1.759 -8.347 12.265 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.129 -6.681 12.663 1.00 0.00 H new ATOM 1179 N ARG A 78 -3.032 -4.735 12.228 1.00 0.00 N ATOM 1180 CA ARG A 78 -2.671 -3.515 12.999 1.00 0.00 C ATOM 1181 C ARG A 78 -2.172 -2.425 12.054 1.00 0.00 C ATOM 1182 O ARG A 78 -1.282 -1.667 12.382 1.00 0.00 O ATOM 1183 CB ARG A 78 -1.545 -3.960 13.935 1.00 0.00 C ATOM 1184 CG ARG A 78 -0.252 -4.170 13.134 1.00 0.00 C ATOM 1185 CD ARG A 78 0.890 -3.389 13.787 1.00 0.00 C ATOM 1186 NE ARG A 78 1.646 -2.796 12.649 1.00 0.00 N ATOM 1187 CZ ARG A 78 2.942 -2.934 12.582 1.00 0.00 C ATOM 1188 NH1 ARG A 78 3.698 -2.462 13.534 1.00 0.00 N ATOM 1189 NH2 ARG A 78 3.484 -3.535 11.558 1.00 0.00 N ATOM 0 H ARG A 78 -2.403 -4.964 11.459 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.521 -3.104 13.544 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.386 -3.209 14.709 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.824 -4.885 14.440 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.005 -5.231 13.095 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -0.392 -3.838 12.105 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.509 -2.616 14.454 1.00 0.00 H new ATOM 0 HD3 ARG A 78 1.525 -4.043 14.385 1.00 0.00 H new ATOM 0 HE ARG A 78 1.150 -2.281 11.921 1.00 0.00 H new ATOM 0 HH11 ARG A 78 3.276 -1.985 14.331 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.711 -2.570 13.482 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.894 -3.898 10.809 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.497 -3.642 11.507 1.00 0.00 H new ATOM 1203 N ASN A 79 -2.709 -2.361 10.873 1.00 0.00 N ATOM 1204 CA ASN A 79 -2.228 -1.346 9.905 1.00 0.00 C ATOM 1205 C ASN A 79 -2.611 0.063 10.317 1.00 0.00 C ATOM 1206 O ASN A 79 -3.665 0.321 10.864 1.00 0.00 O ATOM 1207 CB ASN A 79 -2.863 -1.704 8.574 1.00 0.00 C ATOM 1208 CG ASN A 79 -1.739 -1.856 7.548 1.00 0.00 C ATOM 1209 OD1 ASN A 79 -1.590 -2.987 6.914 1.00 0.00 O flip ATOM 1210 ND2 ASN A 79 -0.983 -0.933 7.319 1.00 0.00 N flip ATOM 0 H ASN A 79 -3.458 -2.966 10.537 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.139 -1.355 9.853 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.431 -2.630 8.658 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.562 -0.928 8.263 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -1.096 -0.047 7.812 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.236 -1.044 6.634 1.00 0.00 H new ATOM 1217 N VAL A 80 -1.737 0.969 10.024 1.00 0.00 N ATOM 1218 CA VAL A 80 -1.968 2.407 10.344 1.00 0.00 C ATOM 1219 C VAL A 80 -2.598 3.063 9.101 1.00 0.00 C ATOM 1220 O VAL A 80 -3.216 2.363 8.327 1.00 0.00 O ATOM 1221 CB VAL A 80 -0.562 2.932 10.658 1.00 0.00 C ATOM 1222 CG1 VAL A 80 0.160 1.942 11.577 1.00 0.00 C ATOM 1223 CG2 VAL A 80 0.237 3.076 9.357 1.00 0.00 C ATOM 0 H VAL A 80 -0.847 0.776 9.564 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.643 2.607 11.176 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.644 3.902 11.149 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.160 2.315 11.800 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.401 1.831 12.505 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.236 0.974 11.081 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.236 3.449 9.583 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.314 2.105 8.868 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.271 3.776 8.694 1.00 0.00 H new ATOM 1233 N PRO A 81 -2.442 4.359 8.897 1.00 0.00 N ATOM 1234 CA PRO A 81 -3.043 4.958 7.682 1.00 0.00 C ATOM 1235 C PRO A 81 -2.300 4.411 6.465 1.00 0.00 C ATOM 1236 O PRO A 81 -1.089 4.465 6.394 1.00 0.00 O ATOM 1237 CB PRO A 81 -2.845 6.459 7.869 1.00 0.00 C ATOM 1238 CG PRO A 81 -1.692 6.580 8.807 1.00 0.00 C ATOM 1239 CD PRO A 81 -1.727 5.367 9.704 1.00 0.00 C ATOM 0 HA PRO A 81 -4.098 4.729 7.532 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -2.635 6.951 6.919 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -3.739 6.927 8.280 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -0.751 6.627 8.258 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -1.766 7.496 9.393 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -0.723 5.033 9.965 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -2.247 5.575 10.639 1.00 0.00 H new ATOM 1247 N PHE A 82 -3.008 3.839 5.529 1.00 0.00 N ATOM 1248 CA PHE A 82 -2.325 3.237 4.351 1.00 0.00 C ATOM 1249 C PHE A 82 -3.346 2.629 3.402 1.00 0.00 C ATOM 1250 O PHE A 82 -4.487 3.041 3.326 1.00 0.00 O ATOM 1251 CB PHE A 82 -1.450 2.117 4.938 1.00 0.00 C ATOM 1252 CG PHE A 82 -2.308 0.906 5.248 1.00 0.00 C ATOM 1253 CD1 PHE A 82 -3.481 1.050 6.001 1.00 0.00 C ATOM 1254 CD2 PHE A 82 -1.936 -0.357 4.773 1.00 0.00 C ATOM 1255 CE1 PHE A 82 -4.276 -0.063 6.282 1.00 0.00 C ATOM 1256 CE2 PHE A 82 -2.735 -1.472 5.052 1.00 0.00 C ATOM 1257 CZ PHE A 82 -3.906 -1.326 5.807 1.00 0.00 C ATOM 0 H PHE A 82 -4.025 3.763 5.530 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.752 3.976 3.791 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -0.665 1.847 4.231 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -0.956 2.466 5.845 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.771 2.025 6.365 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -1.033 -0.471 4.192 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.177 0.051 6.866 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.448 -2.446 4.685 1.00 0.00 H new ATOM 0 HZ PHE A 82 -4.522 -2.187 6.022 1.00 0.00 H new ATOM 1267 N ILE A 83 -2.928 1.618 2.713 1.00 0.00 N ATOM 1268 CA ILE A 83 -3.826 0.903 1.786 1.00 0.00 C ATOM 1269 C ILE A 83 -3.211 -0.451 1.505 1.00 0.00 C ATOM 1270 O ILE A 83 -2.001 -0.598 1.520 1.00 0.00 O ATOM 1271 CB ILE A 83 -3.899 1.765 0.529 1.00 0.00 C ATOM 1272 CG1 ILE A 83 -5.198 2.566 0.549 1.00 0.00 C ATOM 1273 CG2 ILE A 83 -3.873 0.888 -0.736 1.00 0.00 C ATOM 1274 CD1 ILE A 83 -6.369 1.606 0.761 1.00 0.00 C ATOM 0 H ILE A 83 -1.978 1.249 2.755 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.829 0.742 2.181 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.038 2.433 0.512 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -5.171 3.309 1.346 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.321 3.109 -0.388 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.926 1.523 -1.620 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.949 0.310 -0.759 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -4.726 0.209 -0.725 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -7.302 2.169 0.777 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -6.396 0.880 -0.052 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -6.244 1.084 1.709 1.00 0.00 H new ATOM 1286 N PHE A 84 -4.031 -1.430 1.270 1.00 0.00 N ATOM 1287 CA PHE A 84 -3.510 -2.788 1.007 1.00 0.00 C ATOM 1288 C PHE A 84 -4.525 -3.589 0.205 1.00 0.00 C ATOM 1289 O PHE A 84 -5.724 -3.397 0.316 1.00 0.00 O ATOM 1290 CB PHE A 84 -3.346 -3.381 2.395 1.00 0.00 C ATOM 1291 CG PHE A 84 -2.480 -4.623 2.376 1.00 0.00 C ATOM 1292 CD1 PHE A 84 -1.716 -4.953 1.250 1.00 0.00 C ATOM 1293 CD2 PHE A 84 -2.455 -5.457 3.502 1.00 0.00 C ATOM 1294 CE1 PHE A 84 -0.932 -6.114 1.257 1.00 0.00 C ATOM 1295 CE2 PHE A 84 -1.665 -6.615 3.504 1.00 0.00 C ATOM 1296 CZ PHE A 84 -0.907 -6.941 2.380 1.00 0.00 C ATOM 0 H PHE A 84 -5.047 -1.344 1.249 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.584 -2.790 0.433 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -2.902 -2.638 3.058 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.326 -3.627 2.803 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.731 -4.315 0.379 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -3.046 -5.207 4.371 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.344 -6.370 0.388 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.644 -7.254 4.375 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.300 -7.834 2.379 1.00 0.00 H new ATOM 1306 N ALA A 85 -4.061 -4.493 -0.586 1.00 0.00 N ATOM 1307 CA ALA A 85 -4.989 -5.319 -1.375 1.00 0.00 C ATOM 1308 C ALA A 85 -4.233 -6.509 -1.955 1.00 0.00 C ATOM 1309 O ALA A 85 -3.274 -6.347 -2.682 1.00 0.00 O ATOM 1310 CB ALA A 85 -5.500 -4.411 -2.483 1.00 0.00 C ATOM 0 H ALA A 85 -3.071 -4.698 -0.722 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.812 -5.712 -0.778 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.199 -4.962 -3.112 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.007 -3.552 -2.044 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.661 -4.067 -3.088 1.00 0.00 H new ATOM 1316 N THR A 86 -4.642 -7.700 -1.634 1.00 0.00 N ATOM 1317 CA THR A 86 -3.923 -8.892 -2.163 1.00 0.00 C ATOM 1318 C THR A 86 -4.875 -9.761 -2.992 1.00 0.00 C ATOM 1319 O THR A 86 -5.506 -9.289 -3.917 1.00 0.00 O ATOM 1320 CB THR A 86 -3.427 -9.633 -0.919 1.00 0.00 C ATOM 1321 OG1 THR A 86 -4.531 -9.974 -0.091 1.00 0.00 O ATOM 1322 CG2 THR A 86 -2.460 -8.739 -0.142 1.00 0.00 C ATOM 0 H THR A 86 -5.439 -7.902 -1.031 1.00 0.00 H new ATOM 0 HA THR A 86 -3.099 -8.627 -2.826 1.00 0.00 H new ATOM 0 HB THR A 86 -2.912 -10.544 -1.224 1.00 0.00 H new ATOM 0 HG1 THR A 86 -4.687 -9.257 0.559 1.00 0.00 H new ATOM 0 HG21 THR A 86 -2.107 -9.268 0.744 1.00 0.00 H new ATOM 0 HG22 THR A 86 -1.610 -8.485 -0.776 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.972 -7.826 0.161 1.00 0.00 H new ATOM 1330 N GLY A 87 -4.984 -11.025 -2.682 1.00 0.00 N ATOM 1331 CA GLY A 87 -5.897 -11.902 -3.466 1.00 0.00 C ATOM 1332 C GLY A 87 -7.062 -12.343 -2.580 1.00 0.00 C ATOM 1333 O GLY A 87 -8.080 -12.799 -3.060 1.00 0.00 O ATOM 0 H GLY A 87 -4.482 -11.486 -1.923 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.272 -11.368 -4.339 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.355 -12.773 -3.834 1.00 0.00 H new ATOM 1337 N TYR A 88 -6.920 -12.220 -1.287 1.00 0.00 N ATOM 1338 CA TYR A 88 -8.024 -12.647 -0.381 1.00 0.00 C ATOM 1339 C TYR A 88 -9.048 -11.521 -0.179 1.00 0.00 C ATOM 1340 O TYR A 88 -10.103 -11.734 0.382 1.00 0.00 O ATOM 1341 CB TYR A 88 -7.346 -13.055 0.932 1.00 0.00 C ATOM 1342 CG TYR A 88 -7.011 -11.849 1.781 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -6.714 -10.612 1.194 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -6.991 -11.983 3.172 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -6.400 -9.511 2.000 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -6.675 -10.888 3.976 1.00 0.00 C ATOM 1347 CZ TYR A 88 -6.381 -9.649 3.393 1.00 0.00 C ATOM 1348 OH TYR A 88 -6.075 -8.565 4.192 1.00 0.00 O ATOM 0 H TYR A 88 -6.093 -11.845 -0.822 1.00 0.00 H new ATOM 0 HA TYR A 88 -8.592 -13.477 -0.800 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -8.003 -13.723 1.490 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -6.435 -13.612 0.714 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -6.727 -10.508 0.119 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.221 -12.936 3.625 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.173 -8.557 1.548 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -6.657 -10.996 5.050 1.00 0.00 H new ATOM 0 HH TYR A 88 -5.900 -7.782 3.629 1.00 0.00 H new ATOM 1358 N GLY A 89 -8.772 -10.333 -0.654 1.00 0.00 N ATOM 1359 CA GLY A 89 -9.764 -9.234 -0.504 1.00 0.00 C ATOM 1360 C GLY A 89 -9.843 -8.775 0.947 1.00 0.00 C ATOM 1361 O GLY A 89 -10.796 -9.050 1.648 1.00 0.00 O ATOM 0 H GLY A 89 -7.909 -10.081 -1.135 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -9.484 -8.395 -1.141 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.745 -9.574 -0.837 1.00 0.00 H new ATOM 1365 N SER A 90 -8.861 -8.058 1.396 1.00 0.00 N ATOM 1366 CA SER A 90 -8.886 -7.558 2.796 1.00 0.00 C ATOM 1367 C SER A 90 -9.193 -8.695 3.781 1.00 0.00 C ATOM 1368 O SER A 90 -8.937 -9.850 3.521 1.00 0.00 O ATOM 1369 CB SER A 90 -10.015 -6.523 2.837 1.00 0.00 C ATOM 1370 OG SER A 90 -10.608 -6.405 1.551 1.00 0.00 O ATOM 0 H SER A 90 -8.038 -7.794 0.855 1.00 0.00 H new ATOM 0 HA SER A 90 -7.922 -7.137 3.082 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.767 -6.820 3.568 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.624 -5.557 3.157 1.00 0.00 H new ATOM 0 HG SER A 90 -11.426 -5.869 1.616 1.00 0.00 H new ATOM 1376 N LYS A 91 -9.748 -8.355 4.913 1.00 0.00 N ATOM 1377 CA LYS A 91 -10.088 -9.376 5.948 1.00 0.00 C ATOM 1378 C LYS A 91 -10.550 -8.629 7.201 1.00 0.00 C ATOM 1379 O LYS A 91 -11.428 -9.054 7.924 1.00 0.00 O ATOM 1380 CB LYS A 91 -8.774 -10.162 6.177 1.00 0.00 C ATOM 1381 CG LYS A 91 -8.241 -9.986 7.610 1.00 0.00 C ATOM 1382 CD LYS A 91 -6.737 -10.264 7.637 1.00 0.00 C ATOM 1383 CE LYS A 91 -6.044 -9.207 8.499 1.00 0.00 C ATOM 1384 NZ LYS A 91 -6.212 -9.685 9.899 1.00 0.00 N ATOM 0 H LYS A 91 -9.984 -7.396 5.169 1.00 0.00 H new ATOM 0 HA LYS A 91 -10.887 -10.061 5.666 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -8.946 -11.220 5.981 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.020 -9.824 5.466 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.440 -8.973 7.961 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.759 -10.665 8.287 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -6.546 -11.259 8.038 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -6.334 -10.246 6.625 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -4.990 -9.113 8.237 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -6.496 -8.225 8.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.762 -9.012 10.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.225 -9.759 10.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -5.766 -10.619 10.003 1.00 0.00 H new ATOM 1398 N GLY A 92 -9.942 -7.501 7.434 1.00 0.00 N ATOM 1399 CA GLY A 92 -10.283 -6.654 8.609 1.00 0.00 C ATOM 1400 C GLY A 92 -9.338 -5.453 8.597 1.00 0.00 C ATOM 1401 O GLY A 92 -8.898 -4.973 9.622 1.00 0.00 O ATOM 0 H GLY A 92 -9.203 -7.121 6.843 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -11.321 -6.326 8.557 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.173 -7.219 9.534 1.00 0.00 H new ATOM 1405 N LEU A 93 -9.014 -4.985 7.422 1.00 0.00 N ATOM 1406 CA LEU A 93 -8.083 -3.831 7.287 1.00 0.00 C ATOM 1407 C LEU A 93 -8.624 -2.604 8.025 1.00 0.00 C ATOM 1408 O LEU A 93 -9.690 -2.110 7.726 1.00 0.00 O ATOM 1409 CB LEU A 93 -8.026 -3.580 5.777 1.00 0.00 C ATOM 1410 CG LEU A 93 -7.203 -2.327 5.481 1.00 0.00 C ATOM 1411 CD1 LEU A 93 -6.327 -2.580 4.253 1.00 0.00 C ATOM 1412 CD2 LEU A 93 -8.149 -1.159 5.198 1.00 0.00 C ATOM 0 H LEU A 93 -9.360 -5.359 6.539 1.00 0.00 H new ATOM 0 HA LEU A 93 -7.101 -4.029 7.717 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.585 -4.441 5.274 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -9.035 -3.463 5.382 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.573 -2.088 6.338 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.737 -1.689 4.037 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.659 -3.419 4.449 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.960 -2.813 3.396 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.567 -0.262 4.986 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -8.774 -1.397 4.338 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -8.781 -0.984 6.068 1.00 0.00 H new ATOM 1424 N ASP A 94 -7.891 -2.106 8.984 1.00 0.00 N ATOM 1425 CA ASP A 94 -8.357 -0.903 9.736 1.00 0.00 C ATOM 1426 C ASP A 94 -7.507 0.311 9.350 1.00 0.00 C ATOM 1427 O ASP A 94 -6.332 0.187 9.070 1.00 0.00 O ATOM 1428 CB ASP A 94 -8.152 -1.250 11.211 1.00 0.00 C ATOM 1429 CG ASP A 94 -6.699 -1.666 11.440 1.00 0.00 C ATOM 1430 OD1 ASP A 94 -6.412 -2.844 11.301 1.00 0.00 O ATOM 1431 OD2 ASP A 94 -5.897 -0.800 11.748 1.00 0.00 O ATOM 0 H ASP A 94 -6.989 -2.480 9.280 1.00 0.00 H new ATOM 0 HA ASP A 94 -9.396 -0.654 9.519 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -8.398 -0.391 11.835 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -8.823 -2.058 11.502 1.00 0.00 H new ATOM 1436 N THR A 95 -8.080 1.486 9.333 1.00 0.00 N ATOM 1437 CA THR A 95 -7.275 2.688 8.964 1.00 0.00 C ATOM 1438 C THR A 95 -8.141 3.945 8.926 1.00 0.00 C ATOM 1439 O THR A 95 -9.332 3.906 9.163 1.00 0.00 O ATOM 1440 CB THR A 95 -6.745 2.393 7.562 1.00 0.00 C ATOM 1441 OG1 THR A 95 -6.239 3.588 6.990 1.00 0.00 O ATOM 1442 CG2 THR A 95 -7.874 1.848 6.686 1.00 0.00 C ATOM 0 H THR A 95 -9.059 1.665 9.556 1.00 0.00 H new ATOM 0 HA THR A 95 -6.483 2.871 9.690 1.00 0.00 H new ATOM 0 HB THR A 95 -5.949 1.651 7.626 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.510 3.641 6.050 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.491 1.639 5.687 1.00 0.00 H new ATOM 0 HG22 THR A 95 -8.264 0.929 7.125 1.00 0.00 H new ATOM 0 HG23 THR A 95 -8.673 2.587 6.621 1.00 0.00 H new ATOM 1450 N ARG A 96 -7.545 5.059 8.598 1.00 0.00 N ATOM 1451 CA ARG A 96 -8.321 6.325 8.504 1.00 0.00 C ATOM 1452 C ARG A 96 -9.011 6.387 7.138 1.00 0.00 C ATOM 1453 O ARG A 96 -9.581 7.393 6.764 1.00 0.00 O ATOM 1454 CB ARG A 96 -7.279 7.442 8.623 1.00 0.00 C ATOM 1455 CG ARG A 96 -6.870 7.619 10.088 1.00 0.00 C ATOM 1456 CD ARG A 96 -7.925 8.454 10.819 1.00 0.00 C ATOM 1457 NE ARG A 96 -7.975 9.747 10.083 1.00 0.00 N ATOM 1458 CZ ARG A 96 -6.984 10.589 10.176 1.00 0.00 C ATOM 1459 NH1 ARG A 96 -6.656 11.085 11.336 1.00 0.00 N ATOM 1460 NH2 ARG A 96 -6.325 10.937 9.107 1.00 0.00 N ATOM 0 H ARG A 96 -6.550 5.145 8.391 1.00 0.00 H new ATOM 0 HA ARG A 96 -9.090 6.408 9.272 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -6.404 7.201 8.019 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -7.687 8.375 8.235 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -6.766 6.645 10.567 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -5.898 8.109 10.148 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -8.896 7.958 10.811 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -7.653 8.605 11.864 1.00 0.00 H new ATOM 0 HE ARG A 96 -8.785 9.974 9.506 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -7.175 10.814 12.171 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -5.881 11.744 11.408 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -6.585 10.551 8.199 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -5.549 11.596 9.178 1.00 0.00 H new ATOM 1474 N TYR A 97 -8.948 5.318 6.384 1.00 0.00 N ATOM 1475 CA TYR A 97 -9.583 5.315 5.035 1.00 0.00 C ATOM 1476 C TYR A 97 -11.028 4.806 5.117 1.00 0.00 C ATOM 1477 O TYR A 97 -11.858 5.182 4.314 1.00 0.00 O ATOM 1478 CB TYR A 97 -8.725 4.359 4.203 1.00 0.00 C ATOM 1479 CG TYR A 97 -7.396 5.007 3.871 1.00 0.00 C ATOM 1480 CD1 TYR A 97 -6.541 5.440 4.895 1.00 0.00 C ATOM 1481 CD2 TYR A 97 -7.016 5.163 2.533 1.00 0.00 C ATOM 1482 CE1 TYR A 97 -5.310 6.030 4.578 1.00 0.00 C ATOM 1483 CE2 TYR A 97 -5.787 5.754 2.218 1.00 0.00 C ATOM 1484 CZ TYR A 97 -4.933 6.186 3.238 1.00 0.00 C ATOM 1485 OH TYR A 97 -3.719 6.763 2.922 1.00 0.00 O ATOM 0 H TYR A 97 -8.484 4.448 6.646 1.00 0.00 H new ATOM 0 HA TYR A 97 -9.630 6.314 4.601 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -8.559 3.433 4.754 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -9.249 4.094 3.285 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -6.831 5.319 5.928 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -7.672 4.827 1.743 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -4.652 6.364 5.367 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -5.497 5.877 1.185 1.00 0.00 H new ATOM 0 HH TYR A 97 -3.072 6.575 3.634 1.00 0.00 H new ATOM 1495 N SER A 98 -11.309 3.939 6.075 1.00 0.00 N ATOM 1496 CA SER A 98 -12.681 3.345 6.262 1.00 0.00 C ATOM 1497 C SER A 98 -12.745 1.987 5.563 1.00 0.00 C ATOM 1498 O SER A 98 -13.805 1.445 5.325 1.00 0.00 O ATOM 1499 CB SER A 98 -13.702 4.324 5.670 1.00 0.00 C ATOM 1500 OG SER A 98 -13.361 5.649 6.063 1.00 0.00 O ATOM 0 H SER A 98 -10.622 3.611 6.753 1.00 0.00 H new ATOM 0 HA SER A 98 -12.902 3.188 7.318 1.00 0.00 H new ATOM 0 HB2 SER A 98 -13.712 4.245 4.583 1.00 0.00 H new ATOM 0 HB3 SER A 98 -14.705 4.076 6.016 1.00 0.00 H new ATOM 0 HG SER A 98 -13.041 6.149 5.283 1.00 0.00 H new ATOM 1506 N ASN A 99 -11.602 1.428 5.256 1.00 0.00 N ATOM 1507 CA ASN A 99 -11.568 0.090 4.596 1.00 0.00 C ATOM 1508 C ASN A 99 -12.283 0.145 3.244 1.00 0.00 C ATOM 1509 O ASN A 99 -12.634 -0.865 2.665 1.00 0.00 O ATOM 1510 CB ASN A 99 -12.312 -0.816 5.572 1.00 0.00 C ATOM 1511 CG ASN A 99 -11.775 -0.592 6.988 1.00 0.00 C ATOM 1512 OD1 ASN A 99 -10.633 0.021 7.157 1.00 0.00 O flip ATOM 1513 ND2 ASN A 99 -12.403 -0.979 7.953 1.00 0.00 N flip ATOM 0 H ASN A 99 -10.688 1.843 5.435 1.00 0.00 H new ATOM 0 HA ASN A 99 -10.556 -0.260 4.390 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -13.381 -0.604 5.539 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -12.185 -1.860 5.285 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -13.294 -1.458 7.823 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -12.039 -0.825 8.893 1.00 0.00 H new ATOM 1520 N ILE A 100 -12.516 1.327 2.757 1.00 0.00 N ATOM 1521 CA ILE A 100 -13.232 1.493 1.457 1.00 0.00 C ATOM 1522 C ILE A 100 -12.315 1.387 0.224 1.00 0.00 C ATOM 1523 O ILE A 100 -12.794 1.045 -0.839 1.00 0.00 O ATOM 1524 CB ILE A 100 -13.810 2.906 1.515 1.00 0.00 C ATOM 1525 CG1 ILE A 100 -12.656 3.907 1.614 1.00 0.00 C ATOM 1526 CG2 ILE A 100 -14.719 3.043 2.733 1.00 0.00 C ATOM 1527 CD1 ILE A 100 -13.155 5.316 1.358 1.00 0.00 C ATOM 0 H ILE A 100 -12.239 2.200 3.207 1.00 0.00 H new ATOM 0 HA ILE A 100 -13.972 0.701 1.342 1.00 0.00 H new ATOM 0 HB ILE A 100 -14.394 3.103 0.616 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -12.200 3.850 2.603 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -11.882 3.652 0.891 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -15.129 4.052 2.770 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -15.534 2.323 2.661 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -14.144 2.851 3.639 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -12.323 6.016 1.432 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -13.589 5.373 0.360 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -13.913 5.574 2.098 1.00 0.00 H new ATOM 1539 N PRO A 101 -11.051 1.732 0.348 1.00 0.00 N ATOM 1540 CA PRO A 101 -10.163 1.719 -0.824 1.00 0.00 C ATOM 1541 C PRO A 101 -9.318 0.445 -0.868 1.00 0.00 C ATOM 1542 O PRO A 101 -8.370 0.348 -1.619 1.00 0.00 O ATOM 1543 CB PRO A 101 -9.278 2.936 -0.552 1.00 0.00 C ATOM 1544 CG PRO A 101 -9.283 3.117 0.946 1.00 0.00 C ATOM 1545 CD PRO A 101 -10.299 2.159 1.527 1.00 0.00 C ATOM 0 HA PRO A 101 -10.694 1.747 -1.776 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -8.266 2.775 -0.924 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -9.665 3.822 -1.055 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -8.293 2.919 1.357 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -9.536 4.145 1.205 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.821 1.318 2.029 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -10.940 2.646 2.262 1.00 0.00 H new ATOM 1553 N LEU A 102 -9.621 -0.527 -0.064 1.00 0.00 N ATOM 1554 CA LEU A 102 -8.766 -1.755 -0.094 1.00 0.00 C ATOM 1555 C LEU A 102 -9.520 -2.983 -0.633 1.00 0.00 C ATOM 1556 O LEU A 102 -10.732 -3.061 -0.592 1.00 0.00 O ATOM 1557 CB LEU A 102 -8.267 -1.933 1.359 1.00 0.00 C ATOM 1558 CG LEU A 102 -8.937 -3.118 2.074 1.00 0.00 C ATOM 1559 CD1 LEU A 102 -10.457 -3.010 1.959 1.00 0.00 C ATOM 1560 CD2 LEU A 102 -8.455 -4.435 1.458 1.00 0.00 C ATOM 0 H LEU A 102 -10.398 -0.536 0.597 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.929 -1.650 -0.784 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -7.187 -2.081 1.353 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.460 -1.019 1.920 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.664 -3.097 3.129 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -10.921 -3.854 2.469 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -10.791 -2.080 2.419 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -10.744 -3.019 0.907 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -8.933 -5.272 1.968 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -8.716 -4.459 0.400 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.373 -4.513 1.567 1.00 0.00 H new ATOM 1572 N LEU A 103 -8.784 -3.945 -1.139 1.00 0.00 N ATOM 1573 CA LEU A 103 -9.405 -5.190 -1.691 1.00 0.00 C ATOM 1574 C LEU A 103 -8.304 -6.121 -2.251 1.00 0.00 C ATOM 1575 O LEU A 103 -7.486 -6.623 -1.507 1.00 0.00 O ATOM 1576 CB LEU A 103 -10.407 -4.750 -2.786 1.00 0.00 C ATOM 1577 CG LEU A 103 -10.047 -3.384 -3.403 1.00 0.00 C ATOM 1578 CD1 LEU A 103 -8.542 -3.269 -3.660 1.00 0.00 C ATOM 1579 CD2 LEU A 103 -10.791 -3.231 -4.734 1.00 0.00 C ATOM 0 H LEU A 103 -7.766 -3.919 -1.193 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.932 -5.755 -0.922 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -10.435 -5.504 -3.573 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -11.408 -4.699 -2.358 1.00 0.00 H new ATOM 0 HG LEU A 103 -10.338 -2.601 -2.703 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -8.321 -2.295 -4.095 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -8.003 -3.377 -2.719 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -8.230 -4.054 -4.349 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -10.544 -2.268 -5.180 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -10.493 -4.032 -5.411 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -11.865 -3.285 -4.559 1.00 0.00 H new ATOM 1591 N THR A 104 -8.257 -6.352 -3.542 1.00 0.00 N ATOM 1592 CA THR A 104 -7.193 -7.230 -4.108 1.00 0.00 C ATOM 1593 C THR A 104 -6.360 -6.432 -5.124 1.00 0.00 C ATOM 1594 O THR A 104 -5.752 -5.444 -4.780 1.00 0.00 O ATOM 1595 CB THR A 104 -7.925 -8.399 -4.779 1.00 0.00 C ATOM 1596 OG1 THR A 104 -7.050 -9.039 -5.696 1.00 0.00 O ATOM 1597 CG2 THR A 104 -9.151 -7.880 -5.527 1.00 0.00 C ATOM 0 H THR A 104 -8.911 -5.969 -4.225 1.00 0.00 H new ATOM 0 HA THR A 104 -6.505 -7.597 -3.346 1.00 0.00 H new ATOM 0 HB THR A 104 -8.242 -9.110 -4.016 1.00 0.00 H new ATOM 0 HG1 THR A 104 -6.267 -9.382 -5.216 1.00 0.00 H new ATOM 0 HG21 THR A 104 -9.668 -8.714 -6.002 1.00 0.00 H new ATOM 0 HG22 THR A 104 -9.824 -7.388 -4.825 1.00 0.00 H new ATOM 0 HG23 THR A 104 -8.837 -7.166 -6.289 1.00 0.00 H new ATOM 1605 N LYS A 105 -6.311 -6.835 -6.368 1.00 0.00 N ATOM 1606 CA LYS A 105 -5.492 -6.049 -7.341 1.00 0.00 C ATOM 1607 C LYS A 105 -5.779 -6.430 -8.806 1.00 0.00 C ATOM 1608 O LYS A 105 -4.888 -6.426 -9.629 1.00 0.00 O ATOM 1609 CB LYS A 105 -4.038 -6.341 -6.941 1.00 0.00 C ATOM 1610 CG LYS A 105 -3.476 -7.550 -7.696 1.00 0.00 C ATOM 1611 CD LYS A 105 -4.270 -8.817 -7.356 1.00 0.00 C ATOM 1612 CE LYS A 105 -4.838 -9.417 -8.644 1.00 0.00 C ATOM 1613 NZ LYS A 105 -3.817 -10.406 -9.089 1.00 0.00 N ATOM 0 H LYS A 105 -6.789 -7.653 -6.746 1.00 0.00 H new ATOM 0 HA LYS A 105 -5.727 -4.985 -7.297 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -3.421 -5.466 -7.145 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -3.985 -6.525 -5.868 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -3.517 -7.366 -8.770 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -2.427 -7.692 -7.437 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -3.626 -9.541 -6.857 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -5.078 -8.579 -6.664 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -5.801 -9.896 -8.466 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -5.000 -8.649 -9.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -4.135 -10.861 -9.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -2.913 -9.920 -9.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -3.689 -11.129 -8.352 1.00 0.00 H new ATOM 1627 N PRO A 106 -7.023 -6.682 -9.116 1.00 0.00 N ATOM 1628 CA PRO A 106 -7.390 -7.002 -10.520 1.00 0.00 C ATOM 1629 C PRO A 106 -6.981 -5.837 -11.425 1.00 0.00 C ATOM 1630 O PRO A 106 -6.900 -5.965 -12.631 1.00 0.00 O ATOM 1631 CB PRO A 106 -8.908 -7.195 -10.452 1.00 0.00 C ATOM 1632 CG PRO A 106 -9.317 -6.456 -9.220 1.00 0.00 C ATOM 1633 CD PRO A 106 -8.195 -6.680 -8.242 1.00 0.00 C ATOM 0 HA PRO A 106 -6.896 -7.882 -10.932 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -9.400 -6.795 -11.338 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -9.173 -8.251 -10.390 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -9.457 -5.394 -9.424 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -10.262 -6.832 -8.829 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -8.143 -5.890 -7.493 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -8.304 -7.622 -7.705 1.00 0.00 H new ATOM 1641 N PHE A 107 -6.705 -4.703 -10.832 1.00 0.00 N ATOM 1642 CA PHE A 107 -6.269 -3.508 -11.609 1.00 0.00 C ATOM 1643 C PHE A 107 -7.370 -3.005 -12.539 1.00 0.00 C ATOM 1644 O PHE A 107 -7.202 -2.030 -13.244 1.00 0.00 O ATOM 1645 CB PHE A 107 -5.022 -3.952 -12.367 1.00 0.00 C ATOM 1646 CG PHE A 107 -3.828 -3.658 -11.492 1.00 0.00 C ATOM 1647 CD1 PHE A 107 -3.538 -2.336 -11.139 1.00 0.00 C ATOM 1648 CD2 PHE A 107 -3.030 -4.703 -11.013 1.00 0.00 C ATOM 1649 CE1 PHE A 107 -2.445 -2.055 -10.315 1.00 0.00 C ATOM 1650 CE2 PHE A 107 -1.933 -4.423 -10.188 1.00 0.00 C ATOM 1651 CZ PHE A 107 -1.641 -3.096 -9.838 1.00 0.00 C ATOM 0 H PHE A 107 -6.765 -4.555 -9.825 1.00 0.00 H new ATOM 0 HA PHE A 107 -6.051 -2.660 -10.959 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -5.074 -5.016 -12.600 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -4.941 -3.422 -13.316 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -4.160 -1.532 -11.504 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -3.260 -5.724 -11.279 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -2.221 -1.033 -10.046 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -1.313 -5.228 -9.822 1.00 0.00 H new ATOM 0 HZ PHE A 107 -0.796 -2.878 -9.201 1.00 0.00 H new ATOM 1661 N LEU A 108 -8.514 -3.614 -12.497 1.00 0.00 N ATOM 1662 CA LEU A 108 -9.642 -3.118 -13.318 1.00 0.00 C ATOM 1663 C LEU A 108 -10.387 -2.083 -12.462 1.00 0.00 C ATOM 1664 O LEU A 108 -11.239 -1.354 -12.929 1.00 0.00 O ATOM 1665 CB LEU A 108 -10.483 -4.372 -13.616 1.00 0.00 C ATOM 1666 CG LEU A 108 -11.973 -4.113 -13.373 1.00 0.00 C ATOM 1667 CD1 LEU A 108 -12.798 -5.035 -14.268 1.00 0.00 C ATOM 1668 CD2 LEU A 108 -12.301 -4.403 -11.908 1.00 0.00 C ATOM 0 H LEU A 108 -8.717 -4.436 -11.928 1.00 0.00 H new ATOM 0 HA LEU A 108 -9.367 -2.633 -14.254 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -10.329 -4.678 -14.651 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -10.147 -5.196 -12.986 1.00 0.00 H new ATOM 0 HG LEU A 108 -12.208 -3.074 -13.603 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -13.859 -4.853 -14.098 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -12.559 -4.837 -15.313 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -12.565 -6.074 -14.033 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -13.361 -4.220 -11.729 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -12.069 -5.444 -11.682 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -11.707 -3.752 -11.266 1.00 0.00 H new ATOM 1680 N ASP A 109 -10.046 -2.033 -11.196 1.00 0.00 N ATOM 1681 CA ASP A 109 -10.696 -1.069 -10.259 1.00 0.00 C ATOM 1682 C ASP A 109 -10.117 -1.187 -8.827 1.00 0.00 C ATOM 1683 O ASP A 109 -10.677 -0.651 -7.894 1.00 0.00 O ATOM 1684 CB ASP A 109 -12.172 -1.457 -10.268 1.00 0.00 C ATOM 1685 CG ASP A 109 -13.007 -0.269 -10.742 1.00 0.00 C ATOM 1686 OD1 ASP A 109 -13.046 0.723 -10.034 1.00 0.00 O ATOM 1687 OD2 ASP A 109 -13.592 -0.371 -11.809 1.00 0.00 O ATOM 0 H ASP A 109 -9.336 -2.628 -10.769 1.00 0.00 H new ATOM 0 HA ASP A 109 -10.529 -0.037 -10.567 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -12.330 -2.312 -10.925 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -12.486 -1.760 -9.269 1.00 0.00 H new ATOM 1692 N SER A 110 -9.029 -1.901 -8.626 1.00 0.00 N ATOM 1693 CA SER A 110 -8.477 -2.053 -7.245 1.00 0.00 C ATOM 1694 C SER A 110 -7.466 -0.956 -6.905 1.00 0.00 C ATOM 1695 O SER A 110 -7.842 0.106 -6.455 1.00 0.00 O ATOM 1696 CB SER A 110 -7.799 -3.414 -7.256 1.00 0.00 C ATOM 1697 OG SER A 110 -7.207 -3.658 -5.986 1.00 0.00 O ATOM 0 H SER A 110 -8.505 -2.381 -9.358 1.00 0.00 H new ATOM 0 HA SER A 110 -9.261 -1.972 -6.492 1.00 0.00 H new ATOM 0 HB2 SER A 110 -8.526 -4.193 -7.486 1.00 0.00 H new ATOM 0 HB3 SER A 110 -7.039 -3.447 -8.036 1.00 0.00 H new ATOM 0 HG SER A 110 -6.249 -3.456 -6.027 1.00 0.00 H new ATOM 1703 N GLU A 111 -6.185 -1.214 -7.091 1.00 0.00 N ATOM 1704 CA GLU A 111 -5.152 -0.182 -6.751 1.00 0.00 C ATOM 1705 C GLU A 111 -5.698 1.226 -7.015 1.00 0.00 C ATOM 1706 O GLU A 111 -5.489 2.152 -6.249 1.00 0.00 O ATOM 1707 CB GLU A 111 -3.977 -0.487 -7.680 1.00 0.00 C ATOM 1708 CG GLU A 111 -3.025 -1.470 -6.993 1.00 0.00 C ATOM 1709 CD GLU A 111 -1.934 -0.695 -6.253 1.00 0.00 C ATOM 1710 OE1 GLU A 111 -1.232 0.065 -6.899 1.00 0.00 O ATOM 1711 OE2 GLU A 111 -1.817 -0.876 -5.053 1.00 0.00 O ATOM 0 H GLU A 111 -5.817 -2.090 -7.461 1.00 0.00 H new ATOM 0 HA GLU A 111 -4.863 -0.214 -5.700 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -4.340 -0.910 -8.616 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -3.449 0.433 -7.930 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -3.577 -2.098 -6.294 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -2.576 -2.134 -7.732 1.00 0.00 H new ATOM 1718 N LEU A 112 -6.432 1.380 -8.078 1.00 0.00 N ATOM 1719 CA LEU A 112 -7.031 2.710 -8.382 1.00 0.00 C ATOM 1720 C LEU A 112 -8.013 3.049 -7.275 1.00 0.00 C ATOM 1721 O LEU A 112 -7.889 4.042 -6.587 1.00 0.00 O ATOM 1722 CB LEU A 112 -7.775 2.529 -9.705 1.00 0.00 C ATOM 1723 CG LEU A 112 -6.927 1.697 -10.660 1.00 0.00 C ATOM 1724 CD1 LEU A 112 -7.664 0.402 -10.995 1.00 0.00 C ATOM 1725 CD2 LEU A 112 -6.685 2.495 -11.939 1.00 0.00 C ATOM 0 H LEU A 112 -6.644 0.644 -8.751 1.00 0.00 H new ATOM 0 HA LEU A 112 -6.291 3.507 -8.451 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -8.732 2.038 -9.531 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.991 3.501 -10.148 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.972 1.458 -10.193 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -7.059 -0.195 -11.678 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -7.842 -0.163 -10.080 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.618 0.638 -11.467 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.079 1.905 -12.627 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.641 2.730 -12.408 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.163 3.421 -11.697 1.00 0.00 H new ATOM 1737 N GLU A 113 -8.977 2.199 -7.089 1.00 0.00 N ATOM 1738 CA GLU A 113 -9.969 2.417 -6.014 1.00 0.00 C ATOM 1739 C GLU A 113 -9.239 2.705 -4.706 1.00 0.00 C ATOM 1740 O GLU A 113 -9.774 3.319 -3.804 1.00 0.00 O ATOM 1741 CB GLU A 113 -10.714 1.087 -5.926 1.00 0.00 C ATOM 1742 CG GLU A 113 -11.568 1.051 -4.667 1.00 0.00 C ATOM 1743 CD GLU A 113 -12.927 1.688 -4.958 1.00 0.00 C ATOM 1744 OE1 GLU A 113 -13.031 2.381 -5.956 1.00 0.00 O ATOM 1745 OE2 GLU A 113 -13.841 1.469 -4.181 1.00 0.00 O ATOM 0 H GLU A 113 -9.120 1.354 -7.643 1.00 0.00 H new ATOM 0 HA GLU A 113 -10.638 3.256 -6.204 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -11.343 0.954 -6.806 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -10.002 0.262 -5.916 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -11.700 0.022 -4.333 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -11.068 1.586 -3.860 1.00 0.00 H new ATOM 1752 N ALA A 114 -8.021 2.256 -4.593 1.00 0.00 N ATOM 1753 CA ALA A 114 -7.264 2.494 -3.333 1.00 0.00 C ATOM 1754 C ALA A 114 -7.050 3.988 -3.116 1.00 0.00 C ATOM 1755 O ALA A 114 -7.251 4.503 -2.034 1.00 0.00 O ATOM 1756 CB ALA A 114 -5.930 1.776 -3.525 1.00 0.00 C ATOM 0 H ALA A 114 -7.519 1.737 -5.314 1.00 0.00 H new ATOM 0 HA ALA A 114 -7.798 2.125 -2.457 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.315 1.907 -2.635 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -6.109 0.713 -3.690 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -5.412 2.195 -4.388 1.00 0.00 H new ATOM 1762 N VAL A 115 -6.643 4.688 -4.132 1.00 0.00 N ATOM 1763 CA VAL A 115 -6.419 6.154 -3.970 1.00 0.00 C ATOM 1764 C VAL A 115 -7.552 6.945 -4.631 1.00 0.00 C ATOM 1765 O VAL A 115 -7.704 8.131 -4.410 1.00 0.00 O ATOM 1766 CB VAL A 115 -5.086 6.437 -4.659 1.00 0.00 C ATOM 1767 CG1 VAL A 115 -4.616 7.844 -4.289 1.00 0.00 C ATOM 1768 CG2 VAL A 115 -4.046 5.415 -4.191 1.00 0.00 C ATOM 0 H VAL A 115 -6.456 4.316 -5.063 1.00 0.00 H new ATOM 0 HA VAL A 115 -6.401 6.451 -2.921 1.00 0.00 H new ATOM 0 HB VAL A 115 -5.209 6.364 -5.740 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -3.664 8.050 -4.779 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -5.358 8.573 -4.615 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -4.490 7.913 -3.208 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -3.093 5.615 -4.681 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -3.921 5.491 -3.111 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -4.382 4.410 -4.447 1.00 0.00 H new ATOM 1778 N LEU A 116 -8.344 6.303 -5.446 1.00 0.00 N ATOM 1779 CA LEU A 116 -9.460 7.025 -6.125 1.00 0.00 C ATOM 1780 C LEU A 116 -10.677 7.163 -5.201 1.00 0.00 C ATOM 1781 O LEU A 116 -11.579 7.930 -5.469 1.00 0.00 O ATOM 1782 CB LEU A 116 -9.816 6.167 -7.340 1.00 0.00 C ATOM 1783 CG LEU A 116 -11.009 6.793 -8.067 1.00 0.00 C ATOM 1784 CD1 LEU A 116 -10.690 6.923 -9.556 1.00 0.00 C ATOM 1785 CD2 LEU A 116 -12.246 5.908 -7.886 1.00 0.00 C ATOM 0 H LEU A 116 -8.268 5.311 -5.671 1.00 0.00 H new ATOM 0 HA LEU A 116 -9.165 8.037 -6.403 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -8.961 6.096 -8.013 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -10.059 5.152 -7.025 1.00 0.00 H new ATOM 0 HG LEU A 116 -11.207 7.780 -7.650 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -11.540 7.369 -10.073 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -9.813 7.557 -9.686 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -10.489 5.936 -9.973 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -13.093 6.357 -8.405 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -12.049 4.919 -8.300 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -12.477 5.818 -6.825 1.00 0.00 H new ATOM 1797 N VAL A 117 -10.724 6.425 -4.125 1.00 0.00 N ATOM 1798 CA VAL A 117 -11.902 6.523 -3.210 1.00 0.00 C ATOM 1799 C VAL A 117 -11.676 7.575 -2.122 1.00 0.00 C ATOM 1800 O VAL A 117 -12.560 7.871 -1.343 1.00 0.00 O ATOM 1801 CB VAL A 117 -12.037 5.141 -2.591 1.00 0.00 C ATOM 1802 CG1 VAL A 117 -13.247 5.113 -1.657 1.00 0.00 C ATOM 1803 CG2 VAL A 117 -12.222 4.105 -3.701 1.00 0.00 C ATOM 0 H VAL A 117 -10.004 5.762 -3.839 1.00 0.00 H new ATOM 0 HA VAL A 117 -12.800 6.828 -3.747 1.00 0.00 H new ATOM 0 HB VAL A 117 -11.138 4.908 -2.021 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -13.342 4.121 -1.214 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -13.114 5.852 -0.867 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -14.149 5.346 -2.223 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -12.319 3.113 -3.260 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -13.122 4.339 -4.271 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -11.357 4.124 -4.364 1.00 0.00 H new ATOM 1813 N GLN A 118 -10.504 8.138 -2.052 1.00 0.00 N ATOM 1814 CA GLN A 118 -10.243 9.162 -1.000 1.00 0.00 C ATOM 1815 C GLN A 118 -10.650 10.559 -1.483 1.00 0.00 C ATOM 1816 O GLN A 118 -10.691 11.498 -0.716 1.00 0.00 O ATOM 1817 CB GLN A 118 -8.736 9.106 -0.750 1.00 0.00 C ATOM 1818 CG GLN A 118 -8.361 10.149 0.304 1.00 0.00 C ATOM 1819 CD GLN A 118 -7.384 11.158 -0.301 1.00 0.00 C ATOM 1820 OE1 GLN A 118 -7.763 11.886 -1.316 1.00 0.00 O flip ATOM 1821 NE2 GLN A 118 -6.265 11.285 0.154 1.00 0.00 N flip ATOM 0 H GLN A 118 -9.719 7.937 -2.672 1.00 0.00 H new ATOM 0 HA GLN A 118 -10.818 8.964 -0.096 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -8.448 8.110 -0.412 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -8.194 9.297 -1.676 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -9.256 10.661 0.659 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -7.909 9.662 1.168 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -5.969 10.716 0.947 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -5.621 11.961 -0.257 1.00 0.00 H new