USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 801 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: C 61 TYR OH : rot 180:sc= -1.16 USER MOD Set 1.2: C 80 LYS NZ :NH3+ 130:sc= -0.124 (180deg=-0.535) USER MOD Set 2.1: C 43 LYS NZ :NH3+ 160:sc= -1.5 (180deg=-3.09!) USER MOD Set 2.2: C 57 GLN : amide:sc= -8.26! C(o=-9.8!,f=-29!) USER MOD Set 3.1: C 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: C 38 ASN : amide:sc= -3.12! C(o=-3.1!,f=-4.9!) USER MOD Set 4.1: A 13 CYS SG : rot -121:sc= 0.0761 USER MOD Set 4.2: A 16 CYS SG : rot -90:sc= -0.548 USER MOD Set 4.3: A 29 CYS SG : rot 171:sc= -4.49! USER MOD Set 4.4: A 32 CYS SG : rot -50:sc= 0.488 USER MOD Set 4.5: A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= -0.886! C(o=-0.89!,f=-6.8!) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : C 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 23 THR OG1 : rot 180:sc= 0 USER MOD Single : C 28 THR OG1 : rot 10:sc= -4.33! USER MOD Single : C 30 THR OG1 : rot 180:sc= 0.0629 USER MOD Single : C 36 GLN :FLIP amide:sc= 0 F(o=-2.1!,f=0) USER MOD Single : C 40 LYS NZ :NH3+ -159:sc= 1.27 (180deg=0.993) USER MOD Single : C 45 HIS : no HE2:sc= 0.869 K(o=0.87,f=-2.6!) USER MOD Single : C 49 SER OG : rot 67:sc= 0.379 USER MOD Single : C 51 SER OG : rot -50:sc= 0.531 USER MOD Single : C 54 SER OG : rot -131:sc= 1.02 USER MOD Single : C 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 62 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : C 67 GLN : amide:sc= 0.414 X(o=0.41,f=0) USER MOD Single : C 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 71 LYS NZ :NH3+ -167:sc= -0.012 (180deg=-0.185) USER MOD Single : C 73 GLN :FLIP amide:sc= -0.402 F(o=-0.94,f=-0.4) USER MOD Single : C 75 TYR OH : rot 114:sc= 0.835 USER MOD Single : C 76 ASN : amide:sc= -0.331 K(o=-0.33,f=-0.93) USER MOD Single : C 83 HIS : no HE2:sc= 1.12 K(o=1.1,f=-5.1!) USER MOD ----------------------------------------------------------------- ATOM 137 N ARG A 10 -11.871 -9.440 7.995 1.00 0.00 N ATOM 138 CA ARG A 10 -12.292 -8.046 8.084 1.00 0.00 C ATOM 139 C ARG A 10 -11.406 -7.152 7.216 1.00 0.00 C ATOM 140 O ARG A 10 -10.239 -6.893 7.526 1.00 0.00 O ATOM 141 CB ARG A 10 -12.314 -7.551 9.539 1.00 0.00 C ATOM 142 CG ARG A 10 -10.969 -7.593 10.243 1.00 0.00 C ATOM 143 CD ARG A 10 -11.036 -6.935 11.608 1.00 0.00 C ATOM 144 NE ARG A 10 -9.709 -6.752 12.193 1.00 0.00 N ATOM 145 CZ ARG A 10 -9.401 -7.040 13.456 1.00 0.00 C ATOM 146 NH1 ARG A 10 -10.300 -7.600 14.257 1.00 0.00 N ATOM 147 NH2 ARG A 10 -8.186 -6.782 13.913 1.00 0.00 N ATOM 0 HA ARG A 10 -13.312 -7.988 7.704 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -12.685 -6.526 9.554 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -13.024 -8.156 10.104 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.646 -8.628 10.352 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -10.221 -7.089 9.631 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.530 -5.967 11.520 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -11.645 -7.545 12.275 1.00 0.00 H new ATOM 0 HE ARG A 10 -8.971 -6.380 11.595 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.234 -7.812 13.906 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -10.057 -7.818 15.223 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -7.488 -6.363 13.298 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.948 -7.002 14.880 1.00 0.00 H new ATOM 161 N TYR A 11 -11.969 -6.716 6.105 1.00 0.00 N ATOM 162 CA TYR A 11 -11.284 -5.837 5.176 1.00 0.00 C ATOM 163 C TYR A 11 -12.084 -4.570 4.990 1.00 0.00 C ATOM 164 O TYR A 11 -13.209 -4.455 5.473 1.00 0.00 O ATOM 165 CB TYR A 11 -11.117 -6.518 3.818 1.00 0.00 C ATOM 166 CG TYR A 11 -9.977 -7.467 3.711 1.00 0.00 C ATOM 167 CD1 TYR A 11 -9.891 -8.559 4.548 1.00 0.00 C ATOM 168 CD2 TYR A 11 -9.000 -7.276 2.755 1.00 0.00 C ATOM 169 CE1 TYR A 11 -8.852 -9.446 4.446 1.00 0.00 C ATOM 170 CE2 TYR A 11 -7.948 -8.161 2.640 1.00 0.00 C ATOM 171 CZ TYR A 11 -7.876 -9.248 3.492 1.00 0.00 C ATOM 172 OH TYR A 11 -6.832 -10.141 3.386 1.00 0.00 O ATOM 0 H TYR A 11 -12.917 -6.962 5.820 1.00 0.00 H new ATOM 0 HA TYR A 11 -10.301 -5.603 5.585 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -12.037 -7.055 3.585 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -10.997 -5.747 3.057 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -10.654 -8.718 5.295 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -9.060 -6.426 2.091 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -8.797 -10.296 5.110 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -7.186 -8.006 1.890 1.00 0.00 H new ATOM 0 HH TYR A 11 -6.232 -9.859 2.665 1.00 0.00 H new ATOM 182 N PHE A 12 -11.517 -3.636 4.267 1.00 0.00 N ATOM 183 CA PHE A 12 -12.204 -2.399 3.959 1.00 0.00 C ATOM 184 C PHE A 12 -11.885 -1.964 2.541 1.00 0.00 C ATOM 185 O PHE A 12 -10.723 -1.769 2.184 1.00 0.00 O ATOM 186 CB PHE A 12 -11.849 -1.273 4.940 1.00 0.00 C ATOM 187 CG PHE A 12 -12.645 -0.018 4.692 1.00 0.00 C ATOM 188 CD1 PHE A 12 -13.958 0.066 5.120 1.00 0.00 C ATOM 189 CD2 PHE A 12 -12.094 1.061 4.016 1.00 0.00 C ATOM 190 CE1 PHE A 12 -14.710 1.198 4.879 1.00 0.00 C ATOM 191 CE2 PHE A 12 -12.844 2.197 3.766 1.00 0.00 C ATOM 192 CZ PHE A 12 -14.154 2.268 4.201 1.00 0.00 C ATOM 0 H PHE A 12 -10.577 -3.707 3.878 1.00 0.00 H new ATOM 0 HA PHE A 12 -13.272 -2.593 4.056 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -12.025 -1.615 5.960 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -10.786 -1.047 4.859 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.400 -0.765 5.650 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -11.068 1.014 3.681 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -15.733 1.248 5.220 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.406 3.027 3.232 1.00 0.00 H new ATOM 0 HZ PHE A 12 -14.741 3.155 4.012 1.00 0.00 H new ATOM 202 N CYS A 13 -12.917 -1.830 1.732 1.00 0.00 N ATOM 203 CA CYS A 13 -12.757 -1.349 0.378 1.00 0.00 C ATOM 204 C CYS A 13 -13.147 0.115 0.303 1.00 0.00 C ATOM 205 O CYS A 13 -14.280 0.482 0.608 1.00 0.00 O ATOM 206 CB CYS A 13 -13.588 -2.194 -0.578 1.00 0.00 C ATOM 207 SG CYS A 13 -14.274 -1.314 -2.001 1.00 0.00 S ATOM 0 H CYS A 13 -13.879 -2.049 1.992 1.00 0.00 H new ATOM 0 HA CYS A 13 -11.712 -1.438 0.081 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -12.968 -3.013 -0.944 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -14.410 -2.641 -0.019 1.00 0.00 H new ATOM 0 HG CYS A 13 -15.570 -1.408 -1.986 1.00 0.00 H new ATOM 212 N HIS A 14 -12.202 0.948 -0.102 1.00 0.00 N ATOM 213 CA HIS A 14 -12.413 2.384 -0.124 1.00 0.00 C ATOM 214 C HIS A 14 -13.318 2.800 -1.279 1.00 0.00 C ATOM 215 O HIS A 14 -13.859 3.902 -1.284 1.00 0.00 O ATOM 216 CB HIS A 14 -11.083 3.103 -0.193 1.00 0.00 C ATOM 217 CG HIS A 14 -10.277 3.007 1.069 1.00 0.00 C ATOM 218 ND1 HIS A 14 -10.182 4.030 1.983 1.00 0.00 N ATOM 219 CD2 HIS A 14 -9.517 1.999 1.561 1.00 0.00 C ATOM 220 CE1 HIS A 14 -9.396 3.661 2.977 1.00 0.00 C ATOM 221 NE2 HIS A 14 -8.978 2.431 2.746 1.00 0.00 N ATOM 0 H HIS A 14 -11.279 0.652 -0.421 1.00 0.00 H new ATOM 0 HA HIS A 14 -12.918 2.667 0.800 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -10.500 2.692 -1.017 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -11.260 4.154 -0.421 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -9.364 1.033 1.104 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -9.138 4.264 3.835 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -8.357 1.891 3.349 1.00 0.00 H new ATOM 230 N CYS A 15 -13.492 1.905 -2.247 1.00 0.00 N ATOM 231 CA CYS A 15 -14.392 2.155 -3.363 1.00 0.00 C ATOM 232 C CYS A 15 -15.846 2.109 -2.897 1.00 0.00 C ATOM 233 O CYS A 15 -16.690 2.868 -3.373 1.00 0.00 O ATOM 234 CB CYS A 15 -14.157 1.155 -4.463 1.00 0.00 C ATOM 235 SG CYS A 15 -15.055 1.492 -5.996 1.00 0.00 S ATOM 0 H CYS A 15 -13.021 1.001 -2.279 1.00 0.00 H new ATOM 0 HA CYS A 15 -14.188 3.151 -3.755 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -13.090 1.121 -4.683 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -14.439 0.166 -4.103 1.00 0.00 H new ATOM 0 HG CYS A 15 -14.778 0.572 -6.872 1.00 0.00 H new ATOM 241 N CYS A 16 -16.127 1.217 -1.951 1.00 0.00 N ATOM 242 CA CYS A 16 -17.456 1.125 -1.357 1.00 0.00 C ATOM 243 C CYS A 16 -17.542 2.003 -0.113 1.00 0.00 C ATOM 244 O CYS A 16 -18.620 2.435 0.291 1.00 0.00 O ATOM 245 CB CYS A 16 -17.790 -0.324 -0.977 1.00 0.00 C ATOM 246 SG CYS A 16 -18.008 -1.449 -2.377 1.00 0.00 S ATOM 0 H CYS A 16 -15.452 0.548 -1.580 1.00 0.00 H new ATOM 0 HA CYS A 16 -18.176 1.470 -2.099 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -16.994 -0.710 -0.340 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -18.703 -0.327 -0.382 1.00 0.00 H new ATOM 0 HG CYS A 16 -19.256 -1.453 -2.740 1.00 0.00 H new ATOM 251 N SER A 17 -16.371 2.258 0.470 1.00 0.00 N ATOM 252 CA SER A 17 -16.235 2.955 1.747 1.00 0.00 C ATOM 253 C SER A 17 -17.036 2.239 2.833 1.00 0.00 C ATOM 254 O SER A 17 -17.539 2.860 3.772 1.00 0.00 O ATOM 255 CB SER A 17 -16.667 4.417 1.649 1.00 0.00 C ATOM 256 OG SER A 17 -16.571 4.901 0.316 1.00 0.00 O ATOM 0 H SER A 17 -15.478 1.982 0.062 1.00 0.00 H new ATOM 0 HA SER A 17 -15.178 2.942 2.014 1.00 0.00 H new ATOM 0 HB2 SER A 17 -17.694 4.518 2.001 1.00 0.00 H new ATOM 0 HB3 SER A 17 -16.044 5.026 2.304 1.00 0.00 H new ATOM 0 HG SER A 17 -16.856 5.838 0.287 1.00 0.00 H new ATOM 262 N VAL A 18 -17.135 0.924 2.690 1.00 0.00 N ATOM 263 CA VAL A 18 -17.821 0.078 3.655 1.00 0.00 C ATOM 264 C VAL A 18 -16.982 -1.172 3.895 1.00 0.00 C ATOM 265 O VAL A 18 -16.266 -1.625 2.994 1.00 0.00 O ATOM 266 CB VAL A 18 -19.224 -0.346 3.162 1.00 0.00 C ATOM 267 CG1 VAL A 18 -19.963 -1.124 4.241 1.00 0.00 C ATOM 268 CG2 VAL A 18 -20.047 0.855 2.720 1.00 0.00 C ATOM 0 H VAL A 18 -16.741 0.414 1.900 1.00 0.00 H new ATOM 0 HA VAL A 18 -17.949 0.650 4.574 1.00 0.00 H new ATOM 0 HB VAL A 18 -19.084 -0.994 2.297 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -20.947 -1.412 3.872 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -19.396 -2.019 4.498 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -20.076 -0.499 5.127 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -21.027 0.519 2.380 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -20.169 1.541 3.558 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -19.535 1.366 1.905 1.00 0.00 H new ATOM 278 N GLU A 19 -17.050 -1.706 5.105 1.00 0.00 N ATOM 279 CA GLU A 19 -16.295 -2.895 5.460 1.00 0.00 C ATOM 280 C GLU A 19 -16.796 -4.117 4.700 1.00 0.00 C ATOM 281 O GLU A 19 -17.985 -4.233 4.403 1.00 0.00 O ATOM 282 CB GLU A 19 -16.370 -3.145 6.947 1.00 0.00 C ATOM 283 CG GLU A 19 -15.565 -4.322 7.388 1.00 0.00 C ATOM 284 CD GLU A 19 -15.485 -4.451 8.889 1.00 0.00 C ATOM 285 OE1 GLU A 19 -14.749 -3.664 9.522 1.00 0.00 O ATOM 286 OE2 GLU A 19 -16.157 -5.340 9.447 1.00 0.00 O ATOM 0 H GLU A 19 -17.624 -1.331 5.860 1.00 0.00 H new ATOM 0 HA GLU A 19 -15.256 -2.723 5.180 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.023 -2.257 7.476 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -17.411 -3.298 7.231 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -16.002 -5.230 6.973 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -14.557 -4.239 6.982 1.00 0.00 H new ATOM 293 N ILE A 20 -15.878 -5.025 4.397 1.00 0.00 N ATOM 294 CA ILE A 20 -16.181 -6.194 3.586 1.00 0.00 C ATOM 295 C ILE A 20 -15.470 -7.428 4.137 1.00 0.00 C ATOM 296 O ILE A 20 -14.601 -7.323 5.008 1.00 0.00 O ATOM 297 CB ILE A 20 -15.694 -6.023 2.131 1.00 0.00 C ATOM 298 CG1 ILE A 20 -14.201 -6.282 2.111 1.00 0.00 C ATOM 299 CG2 ILE A 20 -15.977 -4.628 1.624 1.00 0.00 C ATOM 300 CD1 ILE A 20 -13.648 -6.676 0.781 1.00 0.00 C ATOM 0 H ILE A 20 -14.907 -4.972 4.705 1.00 0.00 H new ATOM 0 HA ILE A 20 -17.264 -6.310 3.612 1.00 0.00 H new ATOM 0 HB ILE A 20 -16.221 -6.723 1.483 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -13.687 -5.383 2.450 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -13.974 -7.069 2.830 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -15.624 -4.535 0.597 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -17.050 -4.440 1.657 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -15.462 -3.901 2.252 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -12.574 -6.840 0.868 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -14.129 -7.594 0.445 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -13.837 -5.882 0.059 1.00 0.00 H new ATOM 312 N VAL A 21 -15.852 -8.588 3.624 1.00 0.00 N ATOM 313 CA VAL A 21 -15.044 -9.786 3.743 1.00 0.00 C ATOM 314 C VAL A 21 -14.831 -10.359 2.351 1.00 0.00 C ATOM 315 O VAL A 21 -15.723 -10.965 1.753 1.00 0.00 O ATOM 316 CB VAL A 21 -15.671 -10.850 4.668 1.00 0.00 C ATOM 317 CG1 VAL A 21 -14.800 -12.095 4.731 1.00 0.00 C ATOM 318 CG2 VAL A 21 -15.901 -10.288 6.064 1.00 0.00 C ATOM 0 H VAL A 21 -16.727 -8.722 3.117 1.00 0.00 H new ATOM 0 HA VAL A 21 -14.095 -9.509 4.202 1.00 0.00 H new ATOM 0 HB VAL A 21 -16.637 -11.130 4.249 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -15.263 -12.830 5.389 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -14.696 -12.517 3.732 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -13.816 -11.831 5.118 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -16.344 -11.057 6.697 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -14.949 -9.971 6.490 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -16.575 -9.433 6.006 1.00 0.00 H new ATOM 328 N PRO A 22 -13.642 -10.091 1.822 1.00 0.00 N ATOM 329 CA PRO A 22 -13.248 -10.377 0.447 1.00 0.00 C ATOM 330 C PRO A 22 -13.372 -11.821 -0.014 1.00 0.00 C ATOM 331 O PRO A 22 -13.653 -12.743 0.751 1.00 0.00 O ATOM 332 CB PRO A 22 -11.778 -9.995 0.414 1.00 0.00 C ATOM 333 CG PRO A 22 -11.377 -9.716 1.807 1.00 0.00 C ATOM 334 CD PRO A 22 -12.571 -9.412 2.549 1.00 0.00 C ATOM 0 HA PRO A 22 -13.915 -9.833 -0.222 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -11.178 -10.802 -0.006 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -11.620 -9.120 -0.216 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -10.866 -10.577 2.239 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -10.679 -8.880 1.845 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -12.501 -9.770 3.576 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -12.745 -8.337 2.597 1.00 0.00 H new ATOM 342 N ARG A 23 -13.100 -11.972 -1.301 1.00 0.00 N ATOM 343 CA ARG A 23 -13.046 -13.230 -1.986 1.00 0.00 C ATOM 344 C ARG A 23 -11.576 -13.518 -2.267 1.00 0.00 C ATOM 345 O ARG A 23 -11.152 -13.762 -3.394 1.00 0.00 O ATOM 346 CB ARG A 23 -13.879 -13.119 -3.249 1.00 0.00 C ATOM 347 CG ARG A 23 -15.366 -13.211 -3.012 1.00 0.00 C ATOM 348 CD ARG A 23 -16.109 -12.210 -3.849 1.00 0.00 C ATOM 349 NE ARG A 23 -17.551 -12.244 -3.610 1.00 0.00 N ATOM 350 CZ ARG A 23 -18.467 -11.985 -4.545 1.00 0.00 C ATOM 351 NH1 ARG A 23 -18.100 -11.730 -5.795 1.00 0.00 N ATOM 352 NH2 ARG A 23 -19.756 -12.002 -4.230 1.00 0.00 N ATOM 0 H ARG A 23 -12.904 -11.179 -1.913 1.00 0.00 H new ATOM 0 HA ARG A 23 -13.455 -14.055 -1.402 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -13.657 -12.170 -3.736 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -13.582 -13.909 -3.939 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -15.714 -14.217 -3.248 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -15.581 -13.039 -1.957 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -15.732 -11.210 -3.635 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.914 -12.406 -4.903 1.00 0.00 H new ATOM 0 HE ARG A 23 -17.876 -12.480 -2.672 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -17.112 -11.731 -6.047 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -18.806 -11.533 -6.504 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -20.045 -12.213 -3.275 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -20.458 -11.804 -4.943 1.00 0.00 H new ATOM 366 N LEU A 24 -10.840 -13.314 -1.181 1.00 0.00 N ATOM 367 CA LEU A 24 -9.393 -13.552 -0.998 1.00 0.00 C ATOM 368 C LEU A 24 -8.613 -14.071 -2.218 1.00 0.00 C ATOM 369 O LEU A 24 -7.659 -13.405 -2.609 1.00 0.00 O ATOM 370 CB LEU A 24 -9.187 -14.464 0.226 1.00 0.00 C ATOM 371 CG LEU A 24 -7.967 -14.166 1.112 1.00 0.00 C ATOM 372 CD1 LEU A 24 -6.666 -14.375 0.356 1.00 0.00 C ATOM 373 CD2 LEU A 24 -8.045 -12.753 1.670 1.00 0.00 C ATOM 0 H LEU A 24 -11.265 -12.948 -0.329 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.958 -12.565 -0.841 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.081 -14.406 0.847 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.109 -15.493 -0.126 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.980 -14.869 1.945 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.824 -14.155 1.013 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.603 -15.410 0.019 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.636 -13.710 -0.507 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.173 -12.560 2.295 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.068 -12.038 0.848 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.950 -12.647 2.268 1.00 0.00 H new ATOM 385 N PRO A 25 -8.919 -15.271 -2.786 1.00 0.00 N ATOM 386 CA PRO A 25 -8.294 -15.782 -4.004 1.00 0.00 C ATOM 387 C PRO A 25 -7.841 -14.702 -5.002 1.00 0.00 C ATOM 388 O PRO A 25 -6.831 -14.856 -5.686 1.00 0.00 O ATOM 389 CB PRO A 25 -9.403 -16.631 -4.621 1.00 0.00 C ATOM 390 CG PRO A 25 -10.332 -16.984 -3.499 1.00 0.00 C ATOM 391 CD PRO A 25 -9.835 -16.282 -2.263 1.00 0.00 C ATOM 0 HA PRO A 25 -7.372 -16.314 -3.769 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -9.927 -16.079 -5.402 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -8.994 -17.529 -5.085 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -11.351 -16.674 -3.733 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.354 -18.063 -3.345 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.653 -15.830 -1.703 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.328 -16.971 -1.587 1.00 0.00 H new ATOM 399 N ASP A 26 -8.599 -13.618 -5.077 1.00 0.00 N ATOM 400 CA ASP A 26 -8.298 -12.521 -5.995 1.00 0.00 C ATOM 401 C ASP A 26 -7.993 -11.227 -5.267 1.00 0.00 C ATOM 402 O ASP A 26 -7.395 -10.309 -5.831 1.00 0.00 O ATOM 403 CB ASP A 26 -9.497 -12.278 -6.867 1.00 0.00 C ATOM 404 CG ASP A 26 -9.211 -12.510 -8.333 1.00 0.00 C ATOM 405 OD1 ASP A 26 -8.733 -11.568 -9.001 1.00 0.00 O ATOM 406 OD2 ASP A 26 -9.449 -13.629 -8.820 1.00 0.00 O ATOM 0 H ASP A 26 -9.434 -13.471 -4.510 1.00 0.00 H new ATOM 0 HA ASP A 26 -7.420 -12.811 -6.572 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -10.309 -12.933 -6.552 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -9.841 -11.253 -6.726 1.00 0.00 H new ATOM 411 N TYR A 27 -8.432 -11.175 -4.017 1.00 0.00 N ATOM 412 CA TYR A 27 -8.400 -9.964 -3.207 1.00 0.00 C ATOM 413 C TYR A 27 -9.383 -8.945 -3.742 1.00 0.00 C ATOM 414 O TYR A 27 -9.074 -7.768 -3.918 1.00 0.00 O ATOM 415 CB TYR A 27 -6.999 -9.390 -3.111 1.00 0.00 C ATOM 416 CG TYR A 27 -6.114 -10.204 -2.214 1.00 0.00 C ATOM 417 CD1 TYR A 27 -6.356 -10.252 -0.856 1.00 0.00 C ATOM 418 CD2 TYR A 27 -5.037 -10.905 -2.718 1.00 0.00 C ATOM 419 CE1 TYR A 27 -5.539 -10.972 -0.010 1.00 0.00 C ATOM 420 CE2 TYR A 27 -4.211 -11.637 -1.883 1.00 0.00 C ATOM 421 CZ TYR A 27 -4.467 -11.665 -0.527 1.00 0.00 C ATOM 422 OH TYR A 27 -3.644 -12.380 0.313 1.00 0.00 O ATOM 0 H TYR A 27 -8.825 -11.981 -3.531 1.00 0.00 H new ATOM 0 HA TYR A 27 -8.702 -10.228 -2.194 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -6.559 -9.342 -4.107 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.052 -8.368 -2.736 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -7.200 -9.716 -0.449 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -4.836 -10.882 -3.779 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -5.739 -10.992 1.051 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.372 -12.182 -2.289 1.00 0.00 H new ATOM 0 HH TYR A 27 -2.937 -12.811 -0.211 1.00 0.00 H new ATOM 432 N ILE A 28 -10.576 -9.436 -3.992 1.00 0.00 N ATOM 433 CA ILE A 28 -11.690 -8.630 -4.441 1.00 0.00 C ATOM 434 C ILE A 28 -12.621 -8.339 -3.290 1.00 0.00 C ATOM 435 O ILE A 28 -12.630 -9.044 -2.286 1.00 0.00 O ATOM 436 CB ILE A 28 -12.486 -9.362 -5.525 1.00 0.00 C ATOM 437 CG1 ILE A 28 -12.236 -10.845 -5.340 1.00 0.00 C ATOM 438 CG2 ILE A 28 -12.089 -8.880 -6.906 1.00 0.00 C ATOM 439 CD1 ILE A 28 -13.163 -11.758 -6.095 1.00 0.00 C ATOM 0 H ILE A 28 -10.804 -10.425 -3.887 1.00 0.00 H new ATOM 0 HA ILE A 28 -11.286 -7.701 -4.844 1.00 0.00 H new ATOM 0 HB ILE A 28 -13.553 -9.156 -5.434 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -11.212 -11.064 -5.644 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -12.310 -11.078 -4.278 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -12.668 -9.415 -7.659 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -12.286 -7.811 -6.989 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -11.027 -9.067 -7.065 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -12.897 -12.795 -5.892 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -14.190 -11.578 -5.777 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -13.075 -11.563 -7.164 1.00 0.00 H new ATOM 451 N CYS A 29 -13.432 -7.335 -3.477 1.00 0.00 N ATOM 452 CA CYS A 29 -14.427 -6.945 -2.511 1.00 0.00 C ATOM 453 C CYS A 29 -15.746 -7.567 -2.939 1.00 0.00 C ATOM 454 O CYS A 29 -15.996 -7.720 -4.117 1.00 0.00 O ATOM 455 CB CYS A 29 -14.470 -5.411 -2.496 1.00 0.00 C ATOM 456 SG CYS A 29 -15.991 -4.631 -1.904 1.00 0.00 S ATOM 0 H CYS A 29 -13.422 -6.755 -4.316 1.00 0.00 H new ATOM 0 HA CYS A 29 -14.207 -7.288 -1.500 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -13.646 -5.056 -1.877 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -14.282 -5.058 -3.510 1.00 0.00 H new ATOM 0 HG CYS A 29 -15.798 -3.353 -1.767 1.00 0.00 H new ATOM 461 N PRO A 30 -16.591 -7.966 -1.999 1.00 0.00 N ATOM 462 CA PRO A 30 -17.819 -8.674 -2.307 1.00 0.00 C ATOM 463 C PRO A 30 -18.886 -7.672 -2.643 1.00 0.00 C ATOM 464 O PRO A 30 -19.940 -7.991 -3.187 1.00 0.00 O ATOM 465 CB PRO A 30 -18.130 -9.389 -0.998 1.00 0.00 C ATOM 466 CG PRO A 30 -17.595 -8.480 0.059 1.00 0.00 C ATOM 467 CD PRO A 30 -16.466 -7.695 -0.570 1.00 0.00 C ATOM 0 HA PRO A 30 -17.751 -9.358 -3.153 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -19.201 -9.550 -0.878 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -17.654 -10.369 -0.958 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -18.374 -7.811 0.424 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -17.238 -9.051 0.916 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -16.556 -6.630 -0.358 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -15.497 -8.016 -0.187 1.00 0.00 H new ATOM 475 N ARG A 31 -18.584 -6.444 -2.274 1.00 0.00 N ATOM 476 CA ARG A 31 -19.482 -5.344 -2.518 1.00 0.00 C ATOM 477 C ARG A 31 -19.342 -4.721 -3.907 1.00 0.00 C ATOM 478 O ARG A 31 -20.266 -4.061 -4.384 1.00 0.00 O ATOM 479 CB ARG A 31 -19.323 -4.329 -1.451 1.00 0.00 C ATOM 480 CG ARG A 31 -19.797 -4.906 -0.162 1.00 0.00 C ATOM 481 CD ARG A 31 -19.757 -3.908 0.977 1.00 0.00 C ATOM 482 NE ARG A 31 -20.262 -4.485 2.221 1.00 0.00 N ATOM 483 CZ ARG A 31 -21.330 -4.032 2.878 1.00 0.00 C ATOM 484 NH1 ARG A 31 -22.019 -2.998 2.406 1.00 0.00 N ATOM 485 NH2 ARG A 31 -21.706 -4.613 4.011 1.00 0.00 N ATOM 0 H ARG A 31 -17.717 -6.186 -1.802 1.00 0.00 H new ATOM 0 HA ARG A 31 -20.494 -5.749 -2.495 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -18.278 -4.029 -1.368 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -19.893 -3.433 -1.695 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -20.817 -5.269 -0.285 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -19.180 -5.768 0.094 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -18.733 -3.565 1.125 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -20.351 -3.033 0.715 1.00 0.00 H new ATOM 0 HE ARG A 31 -19.766 -5.286 2.612 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -21.731 -2.547 1.537 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -22.835 -2.655 2.912 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -21.178 -5.405 4.378 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -22.523 -4.267 4.515 1.00 0.00 H new ATOM 499 N CYS A 32 -18.194 -4.914 -4.560 1.00 0.00 N ATOM 500 CA CYS A 32 -17.999 -4.360 -5.902 1.00 0.00 C ATOM 501 C CYS A 32 -17.074 -5.223 -6.763 1.00 0.00 C ATOM 502 O CYS A 32 -16.907 -4.957 -7.954 1.00 0.00 O ATOM 503 CB CYS A 32 -17.456 -2.925 -5.836 1.00 0.00 C ATOM 504 SG CYS A 32 -15.812 -2.775 -5.096 1.00 0.00 S ATOM 0 H CYS A 32 -17.400 -5.438 -4.192 1.00 0.00 H new ATOM 0 HA CYS A 32 -18.981 -4.351 -6.374 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -17.424 -2.516 -6.846 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -18.154 -2.312 -5.266 1.00 0.00 H new ATOM 0 HG CYS A 32 -15.789 -3.404 -3.959 1.00 0.00 H new ATOM 509 N GLU A 33 -16.465 -6.247 -6.152 1.00 0.00 N ATOM 510 CA GLU A 33 -15.553 -7.155 -6.860 1.00 0.00 C ATOM 511 C GLU A 33 -14.386 -6.391 -7.483 1.00 0.00 C ATOM 512 O GLU A 33 -13.844 -6.769 -8.517 1.00 0.00 O ATOM 513 CB GLU A 33 -16.311 -7.964 -7.904 1.00 0.00 C ATOM 514 CG GLU A 33 -15.557 -9.185 -8.379 1.00 0.00 C ATOM 515 CD GLU A 33 -16.151 -9.776 -9.639 1.00 0.00 C ATOM 516 OE1 GLU A 33 -16.127 -9.101 -10.689 1.00 0.00 O ATOM 517 OE2 GLU A 33 -16.643 -10.919 -9.591 1.00 0.00 O ATOM 0 H GLU A 33 -16.588 -6.468 -5.164 1.00 0.00 H new ATOM 0 HA GLU A 33 -15.132 -7.851 -6.135 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -17.268 -8.277 -7.486 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -16.530 -7.325 -8.760 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -14.516 -8.918 -8.562 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -15.559 -9.939 -7.592 1.00 0.00 H new ATOM 524 N SER A 34 -14.005 -5.305 -6.838 1.00 0.00 N ATOM 525 CA SER A 34 -12.813 -4.579 -7.214 1.00 0.00 C ATOM 526 C SER A 34 -11.768 -4.707 -6.112 1.00 0.00 C ATOM 527 O SER A 34 -12.104 -4.658 -4.925 1.00 0.00 O ATOM 528 CB SER A 34 -13.149 -3.141 -7.480 1.00 0.00 C ATOM 529 OG SER A 34 -14.266 -3.033 -8.349 1.00 0.00 O ATOM 0 H SER A 34 -14.509 -4.906 -6.046 1.00 0.00 H new ATOM 0 HA SER A 34 -12.400 -5.002 -8.130 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.365 -2.634 -6.539 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.289 -2.639 -7.923 1.00 0.00 H new ATOM 0 HG SER A 34 -14.468 -2.087 -8.507 1.00 0.00 H new ATOM 535 N GLY A 35 -10.515 -4.888 -6.504 1.00 0.00 N ATOM 536 CA GLY A 35 -9.457 -5.153 -5.544 1.00 0.00 C ATOM 537 C GLY A 35 -8.925 -3.902 -4.873 1.00 0.00 C ATOM 538 O GLY A 35 -7.720 -3.651 -4.878 1.00 0.00 O ATOM 0 H GLY A 35 -10.208 -4.856 -7.476 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.832 -5.834 -4.780 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.637 -5.662 -6.050 1.00 0.00 H new ATOM 542 N PHE A 36 -9.819 -3.119 -4.290 1.00 0.00 N ATOM 543 CA PHE A 36 -9.431 -1.911 -3.573 1.00 0.00 C ATOM 544 C PHE A 36 -9.694 -2.081 -2.090 1.00 0.00 C ATOM 545 O PHE A 36 -10.265 -1.205 -1.433 1.00 0.00 O ATOM 546 CB PHE A 36 -10.171 -0.695 -4.120 1.00 0.00 C ATOM 547 CG PHE A 36 -9.710 -0.320 -5.492 1.00 0.00 C ATOM 548 CD1 PHE A 36 -8.560 0.431 -5.660 1.00 0.00 C ATOM 549 CD2 PHE A 36 -10.411 -0.734 -6.611 1.00 0.00 C ATOM 550 CE1 PHE A 36 -8.117 0.765 -6.921 1.00 0.00 C ATOM 551 CE2 PHE A 36 -9.976 -0.401 -7.875 1.00 0.00 C ATOM 552 CZ PHE A 36 -8.825 0.346 -8.030 1.00 0.00 C ATOM 0 H PHE A 36 -10.823 -3.298 -4.299 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.364 -1.745 -3.720 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -11.241 -0.903 -4.143 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -10.025 0.150 -3.447 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.004 0.759 -4.794 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -11.308 -1.324 -6.492 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.219 1.353 -7.042 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -10.533 -0.723 -8.742 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.478 0.603 -9.020 1.00 0.00 H new ATOM 562 N ILE A 37 -9.271 -3.223 -1.582 1.00 0.00 N ATOM 563 CA ILE A 37 -9.467 -3.567 -0.191 1.00 0.00 C ATOM 564 C ILE A 37 -8.158 -3.606 0.556 1.00 0.00 C ATOM 565 O ILE A 37 -7.170 -4.130 0.052 1.00 0.00 O ATOM 566 CB ILE A 37 -10.122 -4.931 -0.036 1.00 0.00 C ATOM 567 CG1 ILE A 37 -9.496 -5.997 -0.929 1.00 0.00 C ATOM 568 CG2 ILE A 37 -11.567 -4.811 -0.328 1.00 0.00 C ATOM 569 CD1 ILE A 37 -10.282 -7.290 -0.917 1.00 0.00 C ATOM 0 H ILE A 37 -8.783 -3.936 -2.123 1.00 0.00 H new ATOM 0 HA ILE A 37 -10.115 -2.793 0.221 1.00 0.00 H new ATOM 0 HB ILE A 37 -9.964 -5.255 0.993 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.434 -5.622 -1.950 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -8.476 -6.191 -0.598 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -12.042 -5.786 -0.219 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -12.021 -4.105 0.368 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -11.703 -4.453 -1.349 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.796 -8.017 -1.568 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -10.322 -7.682 0.099 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -11.295 -7.103 -1.274 1.00 0.00 H new ATOM 581 N GLU A 38 -8.163 -3.082 1.758 1.00 0.00 N ATOM 582 CA GLU A 38 -7.031 -3.223 2.643 1.00 0.00 C ATOM 583 C GLU A 38 -7.481 -4.005 3.864 1.00 0.00 C ATOM 584 O GLU A 38 -8.622 -3.868 4.309 1.00 0.00 O ATOM 585 CB GLU A 38 -6.479 -1.848 3.042 1.00 0.00 C ATOM 586 CG GLU A 38 -7.429 -1.034 3.899 1.00 0.00 C ATOM 587 CD GLU A 38 -6.822 0.261 4.396 1.00 0.00 C ATOM 588 OE1 GLU A 38 -6.862 1.263 3.658 1.00 0.00 O ATOM 589 OE2 GLU A 38 -6.325 0.285 5.542 1.00 0.00 O ATOM 0 H GLU A 38 -8.942 -2.551 2.148 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.226 -3.758 2.139 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.543 -1.985 3.583 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.245 -1.284 2.139 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.327 -0.810 3.323 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.741 -1.633 4.754 1.00 0.00 H new ATOM 596 N GLU A 39 -6.614 -4.868 4.357 1.00 0.00 N ATOM 597 CA GLU A 39 -6.923 -5.672 5.525 1.00 0.00 C ATOM 598 C GLU A 39 -6.880 -4.796 6.768 1.00 0.00 C ATOM 599 O GLU A 39 -6.050 -3.890 6.869 1.00 0.00 O ATOM 600 CB GLU A 39 -5.917 -6.818 5.640 1.00 0.00 C ATOM 601 CG GLU A 39 -6.126 -7.710 6.830 1.00 0.00 C ATOM 602 CD GLU A 39 -4.988 -8.690 7.028 1.00 0.00 C ATOM 603 OE1 GLU A 39 -4.915 -9.683 6.281 1.00 0.00 O ATOM 604 OE2 GLU A 39 -4.160 -8.473 7.936 1.00 0.00 O ATOM 0 H GLU A 39 -5.686 -5.031 3.966 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.923 -6.095 5.428 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.968 -7.423 4.735 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.912 -6.399 5.687 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.233 -7.097 7.725 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.058 -8.261 6.708 1.00 0.00 H new ATOM 611 N LEU A 40 -7.781 -5.054 7.697 1.00 0.00 N ATOM 612 CA LEU A 40 -7.887 -4.250 8.902 1.00 0.00 C ATOM 613 C LEU A 40 -7.098 -4.896 10.036 1.00 0.00 C ATOM 614 O LEU A 40 -7.674 -5.737 10.759 1.00 0.00 O ATOM 615 CB LEU A 40 -9.361 -4.090 9.298 1.00 0.00 C ATOM 616 CG LEU A 40 -10.186 -3.049 8.512 1.00 0.00 C ATOM 617 CD1 LEU A 40 -9.644 -2.823 7.110 1.00 0.00 C ATOM 618 CD2 LEU A 40 -11.630 -3.502 8.424 1.00 0.00 C ATOM 619 OXT LEU A 40 -5.895 -4.584 10.180 1.00 0.00 O ATOM 0 H LEU A 40 -8.454 -5.818 7.640 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.468 -3.263 8.707 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.848 -5.059 9.192 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.402 -3.827 10.355 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.116 -2.105 9.052 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.258 -2.083 6.597 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.617 -2.463 7.171 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.668 -3.761 6.555 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.209 -2.765 7.868 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.679 -4.463 7.912 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -12.041 -3.605 9.428 1.00 0.00 H new ATOM 855 N MET C 16 16.114 -0.629 -7.150 1.00 0.00 N ATOM 856 CA MET C 16 15.999 -2.070 -7.293 1.00 0.00 C ATOM 857 C MET C 16 14.597 -2.442 -7.789 1.00 0.00 C ATOM 858 O MET C 16 14.456 -3.145 -8.788 1.00 0.00 O ATOM 859 CB MET C 16 16.284 -2.762 -5.952 1.00 0.00 C ATOM 860 CG MET C 16 16.834 -4.177 -6.083 1.00 0.00 C ATOM 861 SD MET C 16 15.679 -5.326 -6.857 1.00 0.00 S ATOM 862 CE MET C 16 16.681 -6.807 -6.932 1.00 0.00 C ATOM 0 HA MET C 16 16.733 -2.407 -8.025 1.00 0.00 H new ATOM 0 HB2 MET C 16 16.996 -2.158 -5.389 1.00 0.00 H new ATOM 0 HB3 MET C 16 15.363 -2.795 -5.370 1.00 0.00 H new ATOM 0 HG2 MET C 16 17.753 -4.149 -6.668 1.00 0.00 H new ATOM 0 HG3 MET C 16 17.097 -4.550 -5.093 1.00 0.00 H new ATOM 0 HE1 MET C 16 16.106 -7.613 -7.388 1.00 0.00 H new ATOM 0 HE2 MET C 16 17.572 -6.614 -7.530 1.00 0.00 H new ATOM 0 HE3 MET C 16 16.977 -7.098 -5.924 1.00 0.00 H new ATOM 872 N LEU C 17 13.556 -1.947 -7.111 1.00 0.00 N ATOM 873 CA LEU C 17 12.197 -2.373 -7.409 1.00 0.00 C ATOM 874 C LEU C 17 11.455 -1.331 -8.217 1.00 0.00 C ATOM 875 O LEU C 17 11.436 -0.150 -7.861 1.00 0.00 O ATOM 876 CB LEU C 17 11.448 -2.620 -6.129 1.00 0.00 C ATOM 877 CG LEU C 17 12.300 -3.009 -4.925 1.00 0.00 C ATOM 878 CD1 LEU C 17 11.493 -2.857 -3.670 1.00 0.00 C ATOM 879 CD2 LEU C 17 12.817 -4.433 -5.034 1.00 0.00 C ATOM 0 H LEU C 17 13.633 -1.259 -6.362 1.00 0.00 H new ATOM 0 HA LEU C 17 12.258 -3.290 -7.995 1.00 0.00 H new ATOM 0 HB2 LEU C 17 10.888 -1.719 -5.878 1.00 0.00 H new ATOM 0 HB3 LEU C 17 10.718 -3.410 -6.304 1.00 0.00 H new ATOM 0 HG LEU C 17 13.164 -2.345 -4.897 1.00 0.00 H new ATOM 0 HD11 LEU C 17 12.102 -3.135 -2.810 1.00 0.00 H new ATOM 0 HD12 LEU C 17 11.172 -1.820 -3.567 1.00 0.00 H new ATOM 0 HD13 LEU C 17 10.618 -3.505 -3.719 1.00 0.00 H new ATOM 0 HD21 LEU C 17 13.419 -4.670 -4.157 1.00 0.00 H new ATOM 0 HD22 LEU C 17 11.975 -5.122 -5.093 1.00 0.00 H new ATOM 0 HD23 LEU C 17 13.429 -4.530 -5.931 1.00 0.00 H new ATOM 891 N GLU C 18 10.826 -1.771 -9.290 1.00 0.00 N ATOM 892 CA GLU C 18 10.004 -0.897 -10.089 1.00 0.00 C ATOM 893 C GLU C 18 8.613 -0.903 -9.524 1.00 0.00 C ATOM 894 O GLU C 18 7.798 -1.774 -9.819 1.00 0.00 O ATOM 895 CB GLU C 18 10.018 -1.326 -11.531 1.00 0.00 C ATOM 896 CG GLU C 18 9.301 -0.377 -12.471 1.00 0.00 C ATOM 897 CD GLU C 18 9.337 -0.853 -13.910 1.00 0.00 C ATOM 898 OE1 GLU C 18 8.771 -1.926 -14.204 1.00 0.00 O ATOM 899 OE2 GLU C 18 9.951 -0.164 -14.753 1.00 0.00 O ATOM 0 H GLU C 18 10.872 -2.733 -9.625 1.00 0.00 H new ATOM 0 HA GLU C 18 10.398 0.119 -10.057 1.00 0.00 H new ATOM 0 HB2 GLU C 18 11.053 -1.429 -11.857 1.00 0.00 H new ATOM 0 HB3 GLU C 18 9.559 -2.312 -11.609 1.00 0.00 H new ATOM 0 HG2 GLU C 18 8.264 -0.269 -12.153 1.00 0.00 H new ATOM 0 HG3 GLU C 18 9.759 0.610 -12.406 1.00 0.00 H new ATOM 906 N VAL C 19 8.359 0.064 -8.677 1.00 0.00 N ATOM 907 CA VAL C 19 7.137 0.108 -7.951 1.00 0.00 C ATOM 908 C VAL C 19 6.051 0.680 -8.827 1.00 0.00 C ATOM 909 O VAL C 19 6.027 1.856 -9.107 1.00 0.00 O ATOM 910 CB VAL C 19 7.319 0.958 -6.691 1.00 0.00 C ATOM 911 CG1 VAL C 19 5.989 1.468 -6.169 1.00 0.00 C ATOM 912 CG2 VAL C 19 8.003 0.165 -5.615 1.00 0.00 C ATOM 0 H VAL C 19 8.998 0.834 -8.480 1.00 0.00 H new ATOM 0 HA VAL C 19 6.849 -0.900 -7.652 1.00 0.00 H new ATOM 0 HB VAL C 19 7.937 1.813 -6.963 1.00 0.00 H new ATOM 0 HG11 VAL C 19 6.155 2.068 -5.274 1.00 0.00 H new ATOM 0 HG12 VAL C 19 5.509 2.081 -6.932 1.00 0.00 H new ATOM 0 HG13 VAL C 19 5.346 0.623 -5.925 1.00 0.00 H new ATOM 0 HG21 VAL C 19 8.124 0.785 -4.727 1.00 0.00 H new ATOM 0 HG22 VAL C 19 7.400 -0.709 -5.368 1.00 0.00 H new ATOM 0 HG23 VAL C 19 8.982 -0.158 -5.968 1.00 0.00 H new ATOM 922 N LEU C 20 5.184 -0.150 -9.306 1.00 0.00 N ATOM 923 CA LEU C 20 4.059 0.351 -10.052 1.00 0.00 C ATOM 924 C LEU C 20 2.920 0.499 -9.063 1.00 0.00 C ATOM 925 O LEU C 20 2.824 -0.296 -8.142 1.00 0.00 O ATOM 926 CB LEU C 20 3.706 -0.601 -11.193 1.00 0.00 C ATOM 927 CG LEU C 20 4.861 -0.981 -12.123 1.00 0.00 C ATOM 928 CD1 LEU C 20 5.110 -2.471 -12.074 1.00 0.00 C ATOM 929 CD2 LEU C 20 4.566 -0.560 -13.552 1.00 0.00 C ATOM 0 H LEU C 20 5.224 -1.164 -9.201 1.00 0.00 H new ATOM 0 HA LEU C 20 4.280 1.311 -10.518 1.00 0.00 H new ATOM 0 HB2 LEU C 20 3.293 -1.514 -10.765 1.00 0.00 H new ATOM 0 HB3 LEU C 20 2.917 -0.145 -11.791 1.00 0.00 H new ATOM 0 HG LEU C 20 5.753 -0.457 -11.780 1.00 0.00 H new ATOM 0 HD11 LEU C 20 5.934 -2.724 -12.741 1.00 0.00 H new ATOM 0 HD12 LEU C 20 5.364 -2.764 -11.055 1.00 0.00 H new ATOM 0 HD13 LEU C 20 4.211 -3.001 -12.390 1.00 0.00 H new ATOM 0 HD21 LEU C 20 5.401 -0.841 -14.194 1.00 0.00 H new ATOM 0 HD22 LEU C 20 3.660 -1.057 -13.898 1.00 0.00 H new ATOM 0 HD23 LEU C 20 4.425 0.520 -13.591 1.00 0.00 H new ATOM 941 N VAL C 21 2.112 1.542 -9.186 1.00 0.00 N ATOM 942 CA VAL C 21 1.067 1.819 -8.198 1.00 0.00 C ATOM 943 C VAL C 21 -0.128 2.534 -8.859 1.00 0.00 C ATOM 944 O VAL C 21 0.032 3.611 -9.433 1.00 0.00 O ATOM 945 CB VAL C 21 1.636 2.708 -7.049 1.00 0.00 C ATOM 946 CG1 VAL C 21 0.564 3.133 -6.076 1.00 0.00 C ATOM 947 CG2 VAL C 21 2.741 1.994 -6.299 1.00 0.00 C ATOM 0 H VAL C 21 2.155 2.211 -9.955 1.00 0.00 H new ATOM 0 HA VAL C 21 0.726 0.869 -7.785 1.00 0.00 H new ATOM 0 HB VAL C 21 2.042 3.601 -7.524 1.00 0.00 H new ATOM 0 HG11 VAL C 21 1.006 3.750 -5.294 1.00 0.00 H new ATOM 0 HG12 VAL C 21 -0.199 3.707 -6.603 1.00 0.00 H new ATOM 0 HG13 VAL C 21 0.109 2.250 -5.628 1.00 0.00 H new ATOM 0 HG21 VAL C 21 3.117 2.639 -5.505 1.00 0.00 H new ATOM 0 HG22 VAL C 21 2.350 1.074 -5.865 1.00 0.00 H new ATOM 0 HG23 VAL C 21 3.552 1.755 -6.987 1.00 0.00 H new ATOM 957 N LYS C 22 -1.318 1.943 -8.780 1.00 0.00 N ATOM 958 CA LYS C 22 -2.508 2.531 -9.371 1.00 0.00 C ATOM 959 C LYS C 22 -3.439 3.056 -8.292 1.00 0.00 C ATOM 960 O LYS C 22 -3.315 2.716 -7.112 1.00 0.00 O ATOM 961 CB LYS C 22 -3.312 1.510 -10.183 1.00 0.00 C ATOM 962 CG LYS C 22 -2.523 0.537 -11.049 1.00 0.00 C ATOM 963 CD LYS C 22 -3.474 -0.397 -11.806 1.00 0.00 C ATOM 964 CE LYS C 22 -4.607 0.356 -12.488 1.00 0.00 C ATOM 965 NZ LYS C 22 -5.474 -0.559 -13.274 1.00 0.00 N ATOM 0 H LYS C 22 -1.480 1.053 -8.309 1.00 0.00 H new ATOM 0 HA LYS C 22 -2.156 3.333 -10.020 1.00 0.00 H new ATOM 0 HB2 LYS C 22 -3.920 0.929 -9.489 1.00 0.00 H new ATOM 0 HB3 LYS C 22 -3.999 2.057 -10.829 1.00 0.00 H new ATOM 0 HG2 LYS C 22 -1.905 1.089 -11.757 1.00 0.00 H new ATOM 0 HG3 LYS C 22 -1.847 -0.049 -10.426 1.00 0.00 H new ATOM 0 HD2 LYS C 22 -2.911 -0.956 -12.554 1.00 0.00 H new ATOM 0 HD3 LYS C 22 -3.892 -1.126 -11.112 1.00 0.00 H new ATOM 0 HE2 LYS C 22 -5.206 0.871 -11.737 1.00 0.00 H new ATOM 0 HE3 LYS C 22 -4.193 1.121 -13.145 1.00 0.00 H new ATOM 0 HZ1 LYS C 22 -6.236 -0.013 -13.725 1.00 0.00 H new ATOM 0 HZ2 LYS C 22 -4.906 -1.032 -14.006 1.00 0.00 H new ATOM 0 HZ3 LYS C 22 -5.888 -1.273 -12.642 1.00 0.00 H new ATOM 979 N THR C 23 -4.369 3.880 -8.727 1.00 0.00 N ATOM 980 CA THR C 23 -5.505 4.285 -7.921 1.00 0.00 C ATOM 981 C THR C 23 -6.746 3.525 -8.405 1.00 0.00 C ATOM 982 O THR C 23 -6.607 2.513 -9.095 1.00 0.00 O ATOM 983 CB THR C 23 -5.723 5.805 -8.038 1.00 0.00 C ATOM 984 OG1 THR C 23 -5.870 6.165 -9.417 1.00 0.00 O ATOM 985 CG2 THR C 23 -4.548 6.550 -7.436 1.00 0.00 C ATOM 0 H THR C 23 -4.359 4.293 -9.660 1.00 0.00 H new ATOM 0 HA THR C 23 -5.320 4.050 -6.873 1.00 0.00 H new ATOM 0 HB THR C 23 -6.628 6.077 -7.494 1.00 0.00 H new ATOM 0 HG1 THR C 23 -6.010 7.132 -9.489 1.00 0.00 H new ATOM 0 HG21 THR C 23 -4.714 7.624 -7.525 1.00 0.00 H new ATOM 0 HG22 THR C 23 -4.449 6.284 -6.384 1.00 0.00 H new ATOM 0 HG23 THR C 23 -3.635 6.279 -7.966 1.00 0.00 H new ATOM 1052 N THR C 28 -1.980 5.121 -12.508 1.00 0.00 N ATOM 1053 CA THR C 28 -1.067 3.978 -12.417 1.00 0.00 C ATOM 1054 C THR C 28 0.334 4.524 -12.631 1.00 0.00 C ATOM 1055 O THR C 28 0.757 4.709 -13.773 1.00 0.00 O ATOM 1056 CB THR C 28 -1.277 2.889 -13.488 1.00 0.00 C ATOM 1057 OG1 THR C 28 -2.556 2.279 -13.356 1.00 0.00 O ATOM 1058 CG2 THR C 28 -0.154 1.864 -13.385 1.00 0.00 C ATOM 0 HA THR C 28 -1.243 3.511 -11.448 1.00 0.00 H new ATOM 0 HB THR C 28 -1.247 3.346 -14.477 1.00 0.00 H new ATOM 0 HG1 THR C 28 -3.095 2.786 -12.713 1.00 0.00 H new ATOM 0 HG21 THR C 28 -0.297 1.091 -14.140 1.00 0.00 H new ATOM 0 HG22 THR C 28 0.805 2.357 -13.547 1.00 0.00 H new ATOM 0 HG23 THR C 28 -0.166 1.410 -12.394 1.00 0.00 H new ATOM 1066 N ARG C 29 1.047 4.830 -11.574 1.00 0.00 N ATOM 1067 CA ARG C 29 2.373 5.386 -11.761 1.00 0.00 C ATOM 1068 C ARG C 29 3.451 4.512 -11.155 1.00 0.00 C ATOM 1069 O ARG C 29 3.181 3.691 -10.289 1.00 0.00 O ATOM 1070 CB ARG C 29 2.482 6.794 -11.182 1.00 0.00 C ATOM 1071 CG ARG C 29 1.701 7.844 -11.924 1.00 0.00 C ATOM 1072 CD ARG C 29 1.950 9.219 -11.325 1.00 0.00 C ATOM 1073 NE ARG C 29 1.139 10.270 -11.941 1.00 0.00 N ATOM 1074 CZ ARG C 29 1.452 11.567 -11.894 1.00 0.00 C ATOM 1075 NH1 ARG C 29 2.609 11.952 -11.365 1.00 0.00 N ATOM 1076 NH2 ARG C 29 0.624 12.473 -12.397 1.00 0.00 N ATOM 0 H ARG C 29 0.749 4.711 -10.606 1.00 0.00 H new ATOM 0 HA ARG C 29 2.529 5.431 -12.839 1.00 0.00 H new ATOM 0 HB2 ARG C 29 2.143 6.773 -10.146 1.00 0.00 H new ATOM 0 HB3 ARG C 29 3.532 7.085 -11.167 1.00 0.00 H new ATOM 0 HG2 ARG C 29 1.987 7.842 -12.976 1.00 0.00 H new ATOM 0 HG3 ARG C 29 0.637 7.611 -11.883 1.00 0.00 H new ATOM 0 HD2 ARG C 29 1.740 9.186 -10.256 1.00 0.00 H new ATOM 0 HD3 ARG C 29 3.005 9.471 -11.435 1.00 0.00 H new ATOM 0 HE ARG C 29 0.288 9.997 -12.433 1.00 0.00 H new ATOM 0 HH11 ARG C 29 3.257 11.257 -10.995 1.00 0.00 H new ATOM 0 HH12 ARG C 29 2.849 12.943 -11.329 1.00 0.00 H new ATOM 0 HH21 ARG C 29 -0.256 12.180 -12.822 1.00 0.00 H new ATOM 0 HH22 ARG C 29 0.867 13.463 -12.359 1.00 0.00 H new ATOM 1090 N THR C 30 4.678 4.700 -11.620 1.00 0.00 N ATOM 1091 CA THR C 30 5.800 3.962 -11.145 1.00 0.00 C ATOM 1092 C THR C 30 6.629 4.765 -10.141 1.00 0.00 C ATOM 1093 O THR C 30 6.861 5.962 -10.315 1.00 0.00 O ATOM 1094 CB THR C 30 6.658 3.569 -12.327 1.00 0.00 C ATOM 1095 OG1 THR C 30 6.664 4.619 -13.308 1.00 0.00 O ATOM 1096 CG2 THR C 30 6.174 2.281 -12.950 1.00 0.00 C ATOM 0 H THR C 30 4.907 5.380 -12.345 1.00 0.00 H new ATOM 0 HA THR C 30 5.436 3.075 -10.626 1.00 0.00 H new ATOM 0 HB THR C 30 7.674 3.411 -11.966 1.00 0.00 H new ATOM 0 HG1 THR C 30 7.224 4.354 -14.067 1.00 0.00 H new ATOM 0 HG21 THR C 30 6.811 2.025 -13.797 1.00 0.00 H new ATOM 0 HG22 THR C 30 6.215 1.481 -12.210 1.00 0.00 H new ATOM 0 HG23 THR C 30 5.147 2.406 -13.293 1.00 0.00 H new ATOM 1104 N PHE C 31 7.080 4.078 -9.104 1.00 0.00 N ATOM 1105 CA PHE C 31 7.722 4.688 -7.957 1.00 0.00 C ATOM 1106 C PHE C 31 8.976 3.927 -7.594 1.00 0.00 C ATOM 1107 O PHE C 31 9.125 3.448 -6.469 1.00 0.00 O ATOM 1108 CB PHE C 31 6.768 4.652 -6.777 1.00 0.00 C ATOM 1109 CG PHE C 31 5.526 5.433 -6.989 1.00 0.00 C ATOM 1110 CD1 PHE C 31 5.582 6.636 -7.651 1.00 0.00 C ATOM 1111 CD2 PHE C 31 4.312 4.978 -6.511 1.00 0.00 C ATOM 1112 CE1 PHE C 31 4.442 7.381 -7.845 1.00 0.00 C ATOM 1113 CE2 PHE C 31 3.169 5.714 -6.702 1.00 0.00 C ATOM 1114 CZ PHE C 31 3.227 6.921 -7.370 1.00 0.00 C ATOM 0 H PHE C 31 7.008 3.063 -9.037 1.00 0.00 H new ATOM 0 HA PHE C 31 7.984 5.717 -8.202 1.00 0.00 H new ATOM 0 HB2 PHE C 31 6.503 3.616 -6.567 1.00 0.00 H new ATOM 0 HB3 PHE C 31 7.281 5.035 -5.895 1.00 0.00 H new ATOM 0 HD1 PHE C 31 6.529 7.000 -8.022 1.00 0.00 H new ATOM 0 HD2 PHE C 31 4.262 4.037 -5.984 1.00 0.00 H new ATOM 0 HE1 PHE C 31 4.496 8.324 -8.368 1.00 0.00 H new ATOM 0 HE2 PHE C 31 2.223 5.349 -6.329 1.00 0.00 H new ATOM 0 HZ PHE C 31 2.329 7.502 -7.521 1.00 0.00 H new ATOM 1124 N ILE C 32 9.855 3.797 -8.559 1.00 0.00 N ATOM 1125 CA ILE C 32 11.049 2.999 -8.397 1.00 0.00 C ATOM 1126 C ILE C 32 11.878 3.379 -7.211 1.00 0.00 C ATOM 1127 O ILE C 32 12.323 4.515 -7.030 1.00 0.00 O ATOM 1128 CB ILE C 32 11.893 2.993 -9.653 1.00 0.00 C ATOM 1129 CG1 ILE C 32 11.097 2.342 -10.683 1.00 0.00 C ATOM 1130 CG2 ILE C 32 13.116 2.156 -9.467 1.00 0.00 C ATOM 1131 CD1 ILE C 32 10.541 3.236 -11.759 1.00 0.00 C ATOM 0 H ILE C 32 9.765 4.238 -9.474 1.00 0.00 H new ATOM 0 HA ILE C 32 10.689 1.988 -8.209 1.00 0.00 H new ATOM 0 HB ILE C 32 12.184 4.013 -9.904 1.00 0.00 H new ATOM 0 HG12 ILE C 32 11.711 1.576 -11.157 1.00 0.00 H new ATOM 0 HG13 ILE C 32 10.265 1.829 -10.200 1.00 0.00 H new ATOM 0 HG21 ILE C 32 13.707 2.167 -10.383 1.00 0.00 H new ATOM 0 HG22 ILE C 32 13.711 2.558 -8.647 1.00 0.00 H new ATOM 0 HG23 ILE C 32 12.824 1.132 -9.236 1.00 0.00 H new ATOM 0 HD11 ILE C 32 9.967 2.639 -12.468 1.00 0.00 H new ATOM 0 HD12 ILE C 32 9.892 3.987 -11.309 1.00 0.00 H new ATOM 0 HD13 ILE C 32 11.360 3.730 -12.281 1.00 0.00 H new ATOM 1143 N VAL C 33 12.053 2.362 -6.421 1.00 0.00 N ATOM 1144 CA VAL C 33 12.817 2.426 -5.195 1.00 0.00 C ATOM 1145 C VAL C 33 13.873 1.359 -5.157 1.00 0.00 C ATOM 1146 O VAL C 33 14.042 0.601 -6.105 1.00 0.00 O ATOM 1147 CB VAL C 33 11.921 2.235 -3.977 1.00 0.00 C ATOM 1148 CG1 VAL C 33 11.084 3.456 -3.784 1.00 0.00 C ATOM 1149 CG2 VAL C 33 11.043 1.006 -4.143 1.00 0.00 C ATOM 0 H VAL C 33 11.662 1.439 -6.609 1.00 0.00 H new ATOM 0 HA VAL C 33 13.280 3.412 -5.169 1.00 0.00 H new ATOM 0 HB VAL C 33 12.544 2.083 -3.096 1.00 0.00 H new ATOM 0 HG11 VAL C 33 10.442 3.323 -2.913 1.00 0.00 H new ATOM 0 HG12 VAL C 33 11.731 4.320 -3.629 1.00 0.00 H new ATOM 0 HG13 VAL C 33 10.468 3.618 -4.668 1.00 0.00 H new ATOM 0 HG21 VAL C 33 10.412 0.888 -3.262 1.00 0.00 H new ATOM 0 HG22 VAL C 33 10.415 1.124 -5.026 1.00 0.00 H new ATOM 0 HG23 VAL C 33 11.671 0.123 -4.259 1.00 0.00 H new ATOM 1159 N GLY C 34 14.551 1.281 -4.030 1.00 0.00 N ATOM 1160 CA GLY C 34 15.642 0.338 -3.891 1.00 0.00 C ATOM 1161 C GLY C 34 15.499 -0.579 -2.695 1.00 0.00 C ATOM 1162 O GLY C 34 16.384 -0.656 -1.850 1.00 0.00 O ATOM 0 H GLY C 34 14.369 1.853 -3.205 1.00 0.00 H new ATOM 0 HA2 GLY C 34 15.707 -0.266 -4.796 1.00 0.00 H new ATOM 0 HA3 GLY C 34 16.579 0.888 -3.807 1.00 0.00 H new ATOM 1166 N ALA C 35 14.342 -1.223 -2.619 1.00 0.00 N ATOM 1167 CA ALA C 35 14.079 -2.347 -1.713 1.00 0.00 C ATOM 1168 C ALA C 35 13.975 -2.005 -0.245 1.00 0.00 C ATOM 1169 O ALA C 35 13.269 -2.680 0.501 1.00 0.00 O ATOM 1170 CB ALA C 35 15.089 -3.462 -1.905 1.00 0.00 C ATOM 0 H ALA C 35 13.538 -0.977 -3.196 1.00 0.00 H new ATOM 0 HA ALA C 35 13.082 -2.677 -2.005 1.00 0.00 H new ATOM 0 HB1 ALA C 35 14.865 -4.278 -1.218 1.00 0.00 H new ATOM 0 HB2 ALA C 35 15.038 -3.826 -2.931 1.00 0.00 H new ATOM 0 HB3 ALA C 35 16.091 -3.084 -1.704 1.00 0.00 H new ATOM 1176 N GLN C 36 14.653 -0.988 0.178 1.00 0.00 N ATOM 1177 CA GLN C 36 14.735 -0.696 1.584 1.00 0.00 C ATOM 1178 C GLN C 36 15.184 0.716 1.687 1.00 0.00 C ATOM 1179 O GLN C 36 15.723 1.174 2.692 1.00 0.00 O ATOM 1180 CB GLN C 36 15.709 -1.696 2.203 1.00 0.00 C ATOM 1181 CG GLN C 36 17.112 -1.588 1.687 1.00 0.00 C ATOM 1182 CD GLN C 36 17.868 -2.808 2.089 1.00 0.00 C ATOM 1183 OE1 GLN C 36 17.381 -3.426 3.142 1.00 0.00 O flip ATOM 1184 NE2 GLN C 36 18.834 -3.216 1.449 1.00 0.00 N flip ATOM 0 H GLN C 36 15.161 -0.341 -0.425 1.00 0.00 H new ATOM 0 HA GLN C 36 13.792 -0.795 2.121 1.00 0.00 H new ATOM 0 HB2 GLN C 36 15.720 -1.554 3.284 1.00 0.00 H new ATOM 0 HB3 GLN C 36 15.342 -2.706 2.017 1.00 0.00 H new ATOM 0 HG2 GLN C 36 17.108 -1.487 0.602 1.00 0.00 H new ATOM 0 HG3 GLN C 36 17.594 -0.696 2.088 1.00 0.00 H new ATOM 0 HE21 GLN C 36 19.167 -2.693 0.639 1.00 0.00 H new ATOM 0 HE22 GLN C 36 19.303 -4.078 1.727 1.00 0.00 H new ATOM 1193 N MET C 37 14.892 1.402 0.600 1.00 0.00 N ATOM 1194 CA MET C 37 15.371 2.725 0.374 1.00 0.00 C ATOM 1195 C MET C 37 14.670 3.733 1.277 1.00 0.00 C ATOM 1196 O MET C 37 15.272 4.281 2.199 1.00 0.00 O ATOM 1197 CB MET C 37 15.164 3.025 -1.080 1.00 0.00 C ATOM 1198 CG MET C 37 15.483 4.431 -1.463 1.00 0.00 C ATOM 1199 SD MET C 37 17.225 4.849 -1.254 1.00 0.00 S ATOM 1200 CE MET C 37 17.208 6.587 -1.681 1.00 0.00 C ATOM 0 H MET C 37 14.307 1.040 -0.153 1.00 0.00 H new ATOM 0 HA MET C 37 16.430 2.801 0.622 1.00 0.00 H new ATOM 0 HB2 MET C 37 15.782 2.350 -1.671 1.00 0.00 H new ATOM 0 HB3 MET C 37 14.126 2.816 -1.339 1.00 0.00 H new ATOM 0 HG2 MET C 37 15.201 4.590 -2.504 1.00 0.00 H new ATOM 0 HG3 MET C 37 14.879 5.110 -0.862 1.00 0.00 H new ATOM 0 HE1 MET C 37 18.217 6.992 -1.600 1.00 0.00 H new ATOM 0 HE2 MET C 37 16.850 6.707 -2.704 1.00 0.00 H new ATOM 0 HE3 MET C 37 16.546 7.122 -1.000 1.00 0.00 H new ATOM 1210 N ASN C 38 13.388 3.964 1.022 1.00 0.00 N ATOM 1211 CA ASN C 38 12.603 4.859 1.851 1.00 0.00 C ATOM 1212 C ASN C 38 11.327 4.211 2.291 1.00 0.00 C ATOM 1213 O ASN C 38 11.244 3.651 3.376 1.00 0.00 O ATOM 1214 CB ASN C 38 12.264 6.155 1.110 1.00 0.00 C ATOM 1215 CG ASN C 38 13.483 6.885 0.615 1.00 0.00 C ATOM 1216 OD1 ASN C 38 13.837 6.788 -0.554 1.00 0.00 O ATOM 1217 ND2 ASN C 38 14.143 7.594 1.496 1.00 0.00 N ATOM 0 H ASN C 38 12.874 3.543 0.248 1.00 0.00 H new ATOM 0 HA ASN C 38 13.213 5.092 2.724 1.00 0.00 H new ATOM 0 HB2 ASN C 38 11.617 5.925 0.264 1.00 0.00 H new ATOM 0 HB3 ASN C 38 11.700 6.810 1.774 1.00 0.00 H new ATOM 0 HD21 ASN C 38 14.988 8.093 1.219 1.00 0.00 H new ATOM 0 HD22 ASN C 38 13.812 7.647 2.459 1.00 0.00 H new ATOM 1224 N VAL C 39 10.360 4.273 1.406 1.00 0.00 N ATOM 1225 CA VAL C 39 8.983 3.991 1.703 1.00 0.00 C ATOM 1226 C VAL C 39 8.309 5.109 2.497 1.00 0.00 C ATOM 1227 O VAL C 39 7.130 5.383 2.311 1.00 0.00 O ATOM 1228 CB VAL C 39 8.756 2.629 2.331 1.00 0.00 C ATOM 1229 CG1 VAL C 39 8.421 2.758 3.769 1.00 0.00 C ATOM 1230 CG2 VAL C 39 7.629 1.977 1.603 1.00 0.00 C ATOM 0 H VAL C 39 10.519 4.529 0.432 1.00 0.00 H new ATOM 0 HA VAL C 39 8.491 3.951 0.731 1.00 0.00 H new ATOM 0 HB VAL C 39 9.664 2.031 2.257 1.00 0.00 H new ATOM 0 HG11 VAL C 39 8.263 1.768 4.196 1.00 0.00 H new ATOM 0 HG12 VAL C 39 9.241 3.252 4.291 1.00 0.00 H new ATOM 0 HG13 VAL C 39 7.512 3.350 3.879 1.00 0.00 H new ATOM 0 HG21 VAL C 39 7.440 0.993 2.032 1.00 0.00 H new ATOM 0 HG22 VAL C 39 6.733 2.591 1.695 1.00 0.00 H new ATOM 0 HG23 VAL C 39 7.889 1.870 0.550 1.00 0.00 H new ATOM 1240 N LYS C 40 9.074 5.783 3.321 1.00 0.00 N ATOM 1241 CA LYS C 40 8.589 6.887 4.111 1.00 0.00 C ATOM 1242 C LYS C 40 8.622 8.150 3.291 1.00 0.00 C ATOM 1243 O LYS C 40 7.605 8.731 2.938 1.00 0.00 O ATOM 1244 CB LYS C 40 9.480 7.054 5.332 1.00 0.00 C ATOM 1245 CG LYS C 40 10.091 5.775 5.838 1.00 0.00 C ATOM 1246 CD LYS C 40 11.580 5.717 5.525 1.00 0.00 C ATOM 1247 CE LYS C 40 12.365 6.691 6.396 1.00 0.00 C ATOM 1248 NZ LYS C 40 13.799 6.767 6.012 1.00 0.00 N ATOM 0 H LYS C 40 10.063 5.577 3.463 1.00 0.00 H new ATOM 0 HA LYS C 40 7.564 6.689 4.425 1.00 0.00 H new ATOM 0 HB2 LYS C 40 10.280 7.753 5.089 1.00 0.00 H new ATOM 0 HB3 LYS C 40 8.895 7.505 6.134 1.00 0.00 H new ATOM 0 HG2 LYS C 40 9.939 5.697 6.915 1.00 0.00 H new ATOM 0 HG3 LYS C 40 9.587 4.923 5.382 1.00 0.00 H new ATOM 0 HD2 LYS C 40 11.949 4.704 5.685 1.00 0.00 H new ATOM 0 HD3 LYS C 40 11.743 5.953 4.473 1.00 0.00 H new ATOM 0 HE2 LYS C 40 11.919 7.683 6.320 1.00 0.00 H new ATOM 0 HE3 LYS C 40 12.287 6.385 7.439 1.00 0.00 H new ATOM 0 HZ1 LYS C 40 14.353 7.138 6.810 1.00 0.00 H new ATOM 0 HZ2 LYS C 40 14.143 5.817 5.764 1.00 0.00 H new ATOM 0 HZ3 LYS C 40 13.906 7.399 5.193 1.00 0.00 H new ATOM 1262 N GLU C 41 9.825 8.560 3.009 1.00 0.00 N ATOM 1263 CA GLU C 41 10.104 9.620 2.085 1.00 0.00 C ATOM 1264 C GLU C 41 9.536 9.309 0.695 1.00 0.00 C ATOM 1265 O GLU C 41 9.261 10.198 -0.103 1.00 0.00 O ATOM 1266 CB GLU C 41 11.603 9.787 2.078 1.00 0.00 C ATOM 1267 CG GLU C 41 12.131 10.108 3.465 1.00 0.00 C ATOM 1268 CD GLU C 41 13.553 9.654 3.681 1.00 0.00 C ATOM 1269 OE1 GLU C 41 13.744 8.449 3.952 1.00 0.00 O ATOM 1270 OE2 GLU C 41 14.481 10.483 3.594 1.00 0.00 O ATOM 0 H GLU C 41 10.662 8.154 3.428 1.00 0.00 H new ATOM 0 HA GLU C 41 9.624 10.552 2.384 1.00 0.00 H new ATOM 0 HB2 GLU C 41 12.071 8.873 1.711 1.00 0.00 H new ATOM 0 HB3 GLU C 41 11.879 10.585 1.388 1.00 0.00 H new ATOM 0 HG2 GLU C 41 12.071 11.184 3.629 1.00 0.00 H new ATOM 0 HG3 GLU C 41 11.489 9.636 4.209 1.00 0.00 H new ATOM 1277 N PHE C 42 9.396 8.025 0.427 1.00 0.00 N ATOM 1278 CA PHE C 42 8.671 7.517 -0.728 1.00 0.00 C ATOM 1279 C PHE C 42 7.214 7.974 -0.655 1.00 0.00 C ATOM 1280 O PHE C 42 6.658 8.471 -1.633 1.00 0.00 O ATOM 1281 CB PHE C 42 8.772 5.997 -0.704 1.00 0.00 C ATOM 1282 CG PHE C 42 7.799 5.243 -1.568 1.00 0.00 C ATOM 1283 CD1 PHE C 42 6.457 5.194 -1.244 1.00 0.00 C ATOM 1284 CD2 PHE C 42 8.236 4.562 -2.682 1.00 0.00 C ATOM 1285 CE1 PHE C 42 5.565 4.487 -2.022 1.00 0.00 C ATOM 1286 CE2 PHE C 42 7.351 3.850 -3.469 1.00 0.00 C ATOM 1287 CZ PHE C 42 6.012 3.815 -3.140 1.00 0.00 C ATOM 0 H PHE C 42 9.789 7.290 1.015 1.00 0.00 H new ATOM 0 HA PHE C 42 9.093 7.897 -1.659 1.00 0.00 H new ATOM 0 HB2 PHE C 42 9.782 5.718 -1.005 1.00 0.00 H new ATOM 0 HB3 PHE C 42 8.643 5.663 0.326 1.00 0.00 H new ATOM 0 HD1 PHE C 42 6.101 5.717 -0.369 1.00 0.00 H new ATOM 0 HD2 PHE C 42 9.283 4.585 -2.944 1.00 0.00 H new ATOM 0 HE1 PHE C 42 4.519 4.460 -1.756 1.00 0.00 H new ATOM 0 HE2 PHE C 42 7.707 3.321 -4.341 1.00 0.00 H new ATOM 0 HZ PHE C 42 5.317 3.264 -3.755 1.00 0.00 H new ATOM 1297 N LYS C 43 6.603 7.777 0.521 1.00 0.00 N ATOM 1298 CA LYS C 43 5.255 8.274 0.794 1.00 0.00 C ATOM 1299 C LYS C 43 5.204 9.760 0.489 1.00 0.00 C ATOM 1300 O LYS C 43 4.316 10.250 -0.208 1.00 0.00 O ATOM 1301 CB LYS C 43 4.889 8.071 2.278 1.00 0.00 C ATOM 1302 CG LYS C 43 3.774 7.070 2.554 1.00 0.00 C ATOM 1303 CD LYS C 43 4.273 5.641 2.532 1.00 0.00 C ATOM 1304 CE LYS C 43 3.401 4.770 1.654 1.00 0.00 C ATOM 1305 NZ LYS C 43 3.415 5.250 0.250 1.00 0.00 N ATOM 0 H LYS C 43 7.027 7.274 1.300 1.00 0.00 H new ATOM 0 HA LYS C 43 4.550 7.724 0.171 1.00 0.00 H new ATOM 0 HB2 LYS C 43 5.782 7.748 2.812 1.00 0.00 H new ATOM 0 HB3 LYS C 43 4.598 9.035 2.696 1.00 0.00 H new ATOM 0 HG2 LYS C 43 3.329 7.283 3.526 1.00 0.00 H new ATOM 0 HG3 LYS C 43 2.987 7.190 1.809 1.00 0.00 H new ATOM 0 HD2 LYS C 43 5.300 5.617 2.167 1.00 0.00 H new ATOM 0 HD3 LYS C 43 4.286 5.242 3.546 1.00 0.00 H new ATOM 0 HE2 LYS C 43 3.753 3.739 1.693 1.00 0.00 H new ATOM 0 HE3 LYS C 43 2.379 4.772 2.033 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 3.109 4.483 -0.382 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 2.767 6.058 0.153 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 4.378 5.546 -0.006 1.00 0.00 H new ATOM 1319 N GLU C 44 6.192 10.449 1.028 1.00 0.00 N ATOM 1320 CA GLU C 44 6.333 11.883 0.886 1.00 0.00 C ATOM 1321 C GLU C 44 6.459 12.277 -0.593 1.00 0.00 C ATOM 1322 O GLU C 44 5.951 13.314 -1.023 1.00 0.00 O ATOM 1323 CB GLU C 44 7.573 12.306 1.673 1.00 0.00 C ATOM 1324 CG GLU C 44 7.400 13.587 2.488 1.00 0.00 C ATOM 1325 CD GLU C 44 6.427 14.575 1.875 1.00 0.00 C ATOM 1326 OE1 GLU C 44 6.834 15.355 0.992 1.00 0.00 O ATOM 1327 OE2 GLU C 44 5.247 14.587 2.290 1.00 0.00 O ATOM 0 H GLU C 44 6.930 10.020 1.586 1.00 0.00 H new ATOM 0 HA GLU C 44 5.450 12.390 1.274 1.00 0.00 H new ATOM 0 HB2 GLU C 44 7.853 11.497 2.347 1.00 0.00 H new ATOM 0 HB3 GLU C 44 8.401 12.442 0.977 1.00 0.00 H new ATOM 0 HG2 GLU C 44 7.056 13.326 3.489 1.00 0.00 H new ATOM 0 HG3 GLU C 44 8.371 14.069 2.600 1.00 0.00 H new ATOM 1334 N HIS C 45 7.124 11.427 -1.365 1.00 0.00 N ATOM 1335 CA HIS C 45 7.341 11.664 -2.784 1.00 0.00 C ATOM 1336 C HIS C 45 6.050 11.562 -3.586 1.00 0.00 C ATOM 1337 O HIS C 45 5.726 12.457 -4.368 1.00 0.00 O ATOM 1338 CB HIS C 45 8.357 10.663 -3.329 1.00 0.00 C ATOM 1339 CG HIS C 45 9.748 11.199 -3.424 1.00 0.00 C ATOM 1340 ND1 HIS C 45 10.620 11.223 -2.361 1.00 0.00 N ATOM 1341 CD2 HIS C 45 10.421 11.724 -4.472 1.00 0.00 C ATOM 1342 CE1 HIS C 45 11.772 11.737 -2.752 1.00 0.00 C ATOM 1343 NE2 HIS C 45 11.678 12.050 -4.030 1.00 0.00 N ATOM 0 H HIS C 45 7.528 10.554 -1.024 1.00 0.00 H new ATOM 0 HA HIS C 45 7.721 12.680 -2.889 1.00 0.00 H new ATOM 0 HB2 HIS C 45 8.362 9.781 -2.689 1.00 0.00 H new ATOM 0 HB3 HIS C 45 8.036 10.337 -4.318 1.00 0.00 H new ATOM 0 HD1 HIS C 45 10.410 10.895 -1.418 1.00 0.00 H new ATOM 0 HD2 HIS C 45 10.039 11.861 -5.473 1.00 0.00 H new ATOM 0 HE1 HIS C 45 12.644 11.877 -2.130 1.00 0.00 H new ATOM 1352 N ILE C 46 5.317 10.471 -3.401 1.00 0.00 N ATOM 1353 CA ILE C 46 4.156 10.196 -4.220 1.00 0.00 C ATOM 1354 C ILE C 46 2.931 11.004 -3.790 1.00 0.00 C ATOM 1355 O ILE C 46 1.953 11.069 -4.534 1.00 0.00 O ATOM 1356 CB ILE C 46 3.811 8.693 -4.212 1.00 0.00 C ATOM 1357 CG1 ILE C 46 3.296 8.239 -2.857 1.00 0.00 C ATOM 1358 CG2 ILE C 46 5.029 7.872 -4.580 1.00 0.00 C ATOM 1359 CD1 ILE C 46 2.636 6.876 -2.901 1.00 0.00 C ATOM 0 H ILE C 46 5.511 9.766 -2.690 1.00 0.00 H new ATOM 0 HA ILE C 46 4.420 10.500 -5.233 1.00 0.00 H new ATOM 0 HB ILE C 46 3.022 8.540 -4.949 1.00 0.00 H new ATOM 0 HG12 ILE C 46 4.125 8.213 -2.150 1.00 0.00 H new ATOM 0 HG13 ILE C 46 2.581 8.971 -2.482 1.00 0.00 H new ATOM 0 HG21 ILE C 46 4.771 6.813 -4.570 1.00 0.00 H new ATOM 0 HG22 ILE C 46 5.370 8.153 -5.576 1.00 0.00 H new ATOM 0 HG23 ILE C 46 5.825 8.058 -3.859 1.00 0.00 H new ATOM 0 HD11 ILE C 46 2.289 6.607 -1.903 1.00 0.00 H new ATOM 0 HD12 ILE C 46 1.788 6.904 -3.585 1.00 0.00 H new ATOM 0 HD13 ILE C 46 3.356 6.134 -3.247 1.00 0.00 H new ATOM 1371 N ALA C 47 3.003 11.629 -2.611 1.00 0.00 N ATOM 1372 CA ALA C 47 1.909 12.409 -2.051 1.00 0.00 C ATOM 1373 C ALA C 47 1.172 13.271 -3.079 1.00 0.00 C ATOM 1374 O ALA C 47 -0.029 13.111 -3.268 1.00 0.00 O ATOM 1375 CB ALA C 47 2.442 13.284 -0.934 1.00 0.00 C ATOM 0 H ALA C 47 3.832 11.604 -2.018 1.00 0.00 H new ATOM 0 HA ALA C 47 1.176 11.696 -1.674 1.00 0.00 H new ATOM 0 HB1 ALA C 47 1.627 13.871 -0.511 1.00 0.00 H new ATOM 0 HB2 ALA C 47 2.879 12.656 -0.157 1.00 0.00 H new ATOM 0 HB3 ALA C 47 3.204 13.955 -1.330 1.00 0.00 H new ATOM 1381 N ALA C 48 1.870 14.176 -3.741 1.00 0.00 N ATOM 1382 CA ALA C 48 1.207 15.099 -4.654 1.00 0.00 C ATOM 1383 C ALA C 48 0.697 14.404 -5.906 1.00 0.00 C ATOM 1384 O ALA C 48 -0.392 14.712 -6.387 1.00 0.00 O ATOM 1385 CB ALA C 48 2.126 16.227 -5.044 1.00 0.00 C ATOM 0 H ALA C 48 2.881 14.294 -3.668 1.00 0.00 H new ATOM 0 HA ALA C 48 0.348 15.501 -4.117 1.00 0.00 H new ATOM 0 HB1 ALA C 48 1.606 16.901 -5.725 1.00 0.00 H new ATOM 0 HB2 ALA C 48 2.428 16.775 -4.152 1.00 0.00 H new ATOM 0 HB3 ALA C 48 3.010 15.822 -5.538 1.00 0.00 H new ATOM 1391 N SER C 49 1.477 13.463 -6.424 1.00 0.00 N ATOM 1392 CA SER C 49 1.132 12.768 -7.643 1.00 0.00 C ATOM 1393 C SER C 49 -0.207 12.047 -7.505 1.00 0.00 C ATOM 1394 O SER C 49 -0.978 11.957 -8.461 1.00 0.00 O ATOM 1395 CB SER C 49 2.237 11.784 -7.969 1.00 0.00 C ATOM 1396 OG SER C 49 3.211 11.754 -6.938 1.00 0.00 O ATOM 0 H SER C 49 2.360 13.167 -6.008 1.00 0.00 H new ATOM 0 HA SER C 49 1.029 13.490 -8.453 1.00 0.00 H new ATOM 0 HB2 SER C 49 1.814 10.788 -8.104 1.00 0.00 H new ATOM 0 HB3 SER C 49 2.709 12.061 -8.912 1.00 0.00 H new ATOM 0 HG SER C 49 2.814 11.380 -6.124 1.00 0.00 H new ATOM 1402 N VAL C 50 -0.475 11.550 -6.305 1.00 0.00 N ATOM 1403 CA VAL C 50 -1.719 10.852 -6.023 1.00 0.00 C ATOM 1404 C VAL C 50 -2.712 11.761 -5.305 1.00 0.00 C ATOM 1405 O VAL C 50 -3.840 11.350 -5.026 1.00 0.00 O ATOM 1406 CB VAL C 50 -1.466 9.577 -5.192 1.00 0.00 C ATOM 1407 CG1 VAL C 50 -0.640 8.585 -5.997 1.00 0.00 C ATOM 1408 CG2 VAL C 50 -0.771 9.905 -3.878 1.00 0.00 C ATOM 0 H VAL C 50 0.158 11.619 -5.508 1.00 0.00 H new ATOM 0 HA VAL C 50 -2.152 10.559 -6.980 1.00 0.00 H new ATOM 0 HB VAL C 50 -2.430 9.127 -4.956 1.00 0.00 H new ATOM 0 HG11 VAL C 50 -0.467 7.688 -5.402 1.00 0.00 H new ATOM 0 HG12 VAL C 50 -1.177 8.318 -6.907 1.00 0.00 H new ATOM 0 HG13 VAL C 50 0.317 9.037 -6.260 1.00 0.00 H new ATOM 0 HG21 VAL C 50 -0.606 8.987 -3.314 1.00 0.00 H new ATOM 0 HG22 VAL C 50 0.187 10.382 -4.083 1.00 0.00 H new ATOM 0 HG23 VAL C 50 -1.396 10.581 -3.295 1.00 0.00 H new ATOM 1418 N SER C 51 -2.280 12.995 -4.998 1.00 0.00 N ATOM 1419 CA SER C 51 -3.135 13.989 -4.361 1.00 0.00 C ATOM 1420 C SER C 51 -3.424 13.561 -2.934 1.00 0.00 C ATOM 1421 O SER C 51 -4.372 14.022 -2.299 1.00 0.00 O ATOM 1422 CB SER C 51 -4.427 14.199 -5.160 1.00 0.00 C ATOM 1423 OG SER C 51 -5.214 15.254 -4.628 1.00 0.00 O ATOM 0 H SER C 51 -1.333 13.323 -5.186 1.00 0.00 H new ATOM 0 HA SER C 51 -2.617 14.948 -4.340 1.00 0.00 H new ATOM 0 HB2 SER C 51 -4.180 14.419 -6.199 1.00 0.00 H new ATOM 0 HB3 SER C 51 -5.008 13.277 -5.159 1.00 0.00 H new ATOM 0 HG SER C 51 -5.325 15.125 -3.663 1.00 0.00 H new ATOM 1429 N ILE C 52 -2.577 12.678 -2.432 1.00 0.00 N ATOM 1430 CA ILE C 52 -2.724 12.160 -1.094 1.00 0.00 C ATOM 1431 C ILE C 52 -1.425 12.301 -0.320 1.00 0.00 C ATOM 1432 O ILE C 52 -0.429 11.683 -0.680 1.00 0.00 O ATOM 1433 CB ILE C 52 -3.090 10.671 -1.072 1.00 0.00 C ATOM 1434 CG1 ILE C 52 -4.319 10.368 -1.931 1.00 0.00 C ATOM 1435 CG2 ILE C 52 -3.330 10.260 0.371 1.00 0.00 C ATOM 1436 CD1 ILE C 52 -5.625 10.668 -1.232 1.00 0.00 C ATOM 0 H ILE C 52 -1.775 12.306 -2.941 1.00 0.00 H new ATOM 0 HA ILE C 52 -3.528 12.741 -0.642 1.00 0.00 H new ATOM 0 HB ILE C 52 -2.266 10.098 -1.498 1.00 0.00 H new ATOM 0 HG12 ILE C 52 -4.264 10.952 -2.850 1.00 0.00 H new ATOM 0 HG13 ILE C 52 -4.302 9.317 -2.219 1.00 0.00 H new ATOM 0 HG21 ILE C 52 -3.592 9.203 0.409 1.00 0.00 H new ATOM 0 HG22 ILE C 52 -2.425 10.431 0.953 1.00 0.00 H new ATOM 0 HG23 ILE C 52 -4.146 10.851 0.787 1.00 0.00 H new ATOM 0 HD11 ILE C 52 -6.456 10.431 -1.896 1.00 0.00 H new ATOM 0 HD12 ILE C 52 -5.700 10.065 -0.327 1.00 0.00 H new ATOM 0 HD13 ILE C 52 -5.662 11.725 -0.968 1.00 0.00 H new ATOM 1448 N PRO C 53 -1.418 13.070 0.768 1.00 0.00 N ATOM 1449 CA PRO C 53 -0.218 13.261 1.567 1.00 0.00 C ATOM 1450 C PRO C 53 0.256 11.984 2.251 1.00 0.00 C ATOM 1451 O PRO C 53 -0.530 11.109 2.617 1.00 0.00 O ATOM 1452 CB PRO C 53 -0.598 14.292 2.608 1.00 0.00 C ATOM 1453 CG PRO C 53 -1.970 14.777 2.270 1.00 0.00 C ATOM 1454 CD PRO C 53 -2.575 13.792 1.310 1.00 0.00 C ATOM 0 HA PRO C 53 0.611 13.573 0.931 1.00 0.00 H new ATOM 0 HB2 PRO C 53 -0.580 13.855 3.607 1.00 0.00 H new ATOM 0 HB3 PRO C 53 0.113 15.118 2.608 1.00 0.00 H new ATOM 0 HG2 PRO C 53 -2.580 14.859 3.170 1.00 0.00 H new ATOM 0 HG3 PRO C 53 -1.926 15.770 1.823 1.00 0.00 H new ATOM 0 HD2 PRO C 53 -3.267 13.117 1.814 1.00 0.00 H new ATOM 0 HD3 PRO C 53 -3.137 14.295 0.523 1.00 0.00 H new ATOM 1462 N SER C 54 1.562 11.932 2.418 1.00 0.00 N ATOM 1463 CA SER C 54 2.294 10.806 2.971 1.00 0.00 C ATOM 1464 C SER C 54 1.768 10.350 4.328 1.00 0.00 C ATOM 1465 O SER C 54 1.870 9.172 4.678 1.00 0.00 O ATOM 1466 CB SER C 54 3.747 11.237 3.102 1.00 0.00 C ATOM 1467 OG SER C 54 3.828 12.603 3.471 1.00 0.00 O ATOM 0 H SER C 54 2.172 12.708 2.161 1.00 0.00 H new ATOM 0 HA SER C 54 2.175 9.953 2.303 1.00 0.00 H new ATOM 0 HB2 SER C 54 4.249 10.622 3.849 1.00 0.00 H new ATOM 0 HB3 SER C 54 4.266 11.078 2.157 1.00 0.00 H new ATOM 0 HG SER C 54 4.461 13.064 2.881 1.00 0.00 H new ATOM 1473 N GLU C 55 1.221 11.282 5.086 1.00 0.00 N ATOM 1474 CA GLU C 55 0.744 10.992 6.430 1.00 0.00 C ATOM 1475 C GLU C 55 -0.653 10.371 6.411 1.00 0.00 C ATOM 1476 O GLU C 55 -1.161 9.934 7.442 1.00 0.00 O ATOM 1477 CB GLU C 55 0.744 12.269 7.257 1.00 0.00 C ATOM 1478 CG GLU C 55 -0.093 13.338 6.641 1.00 0.00 C ATOM 1479 CD GLU C 55 -0.115 14.619 7.441 1.00 0.00 C ATOM 1480 OE1 GLU C 55 -0.965 14.744 8.344 1.00 0.00 O ATOM 1481 OE2 GLU C 55 0.710 15.512 7.169 1.00 0.00 O ATOM 0 H GLU C 55 1.095 12.251 4.794 1.00 0.00 H new ATOM 0 HA GLU C 55 1.418 10.264 6.881 1.00 0.00 H new ATOM 0 HB2 GLU C 55 0.373 12.051 8.259 1.00 0.00 H new ATOM 0 HB3 GLU C 55 1.767 12.629 7.367 1.00 0.00 H new ATOM 0 HG2 GLU C 55 0.281 13.550 5.640 1.00 0.00 H new ATOM 0 HG3 GLU C 55 -1.113 12.971 6.529 1.00 0.00 H new ATOM 1488 N LYS C 56 -1.272 10.332 5.238 1.00 0.00 N ATOM 1489 CA LYS C 56 -2.631 9.816 5.113 1.00 0.00 C ATOM 1490 C LYS C 56 -2.714 8.704 4.078 1.00 0.00 C ATOM 1491 O LYS C 56 -3.539 7.800 4.197 1.00 0.00 O ATOM 1492 CB LYS C 56 -3.589 10.935 4.715 1.00 0.00 C ATOM 1493 CG LYS C 56 -3.679 12.059 5.741 1.00 0.00 C ATOM 1494 CD LYS C 56 -4.502 13.231 5.230 1.00 0.00 C ATOM 1495 CE LYS C 56 -4.545 14.369 6.241 1.00 0.00 C ATOM 1496 NZ LYS C 56 -5.300 15.541 5.725 1.00 0.00 N ATOM 0 H LYS C 56 -0.857 10.650 4.362 1.00 0.00 H new ATOM 0 HA LYS C 56 -2.914 9.411 6.085 1.00 0.00 H new ATOM 0 HB2 LYS C 56 -3.270 11.352 3.760 1.00 0.00 H new ATOM 0 HB3 LYS C 56 -4.583 10.514 4.563 1.00 0.00 H new ATOM 0 HG2 LYS C 56 -4.124 11.677 6.660 1.00 0.00 H new ATOM 0 HG3 LYS C 56 -2.675 12.402 5.992 1.00 0.00 H new ATOM 0 HD2 LYS C 56 -4.079 13.592 4.293 1.00 0.00 H new ATOM 0 HD3 LYS C 56 -5.517 12.897 5.014 1.00 0.00 H new ATOM 0 HE2 LYS C 56 -5.007 14.018 7.164 1.00 0.00 H new ATOM 0 HE3 LYS C 56 -3.528 14.673 6.489 1.00 0.00 H new ATOM 0 HZ1 LYS C 56 -5.306 16.294 6.443 1.00 0.00 H new ATOM 0 HZ2 LYS C 56 -4.845 15.893 4.858 1.00 0.00 H new ATOM 0 HZ3 LYS C 56 -6.278 15.258 5.512 1.00 0.00 H new ATOM 1510 N GLN C 57 -1.868 8.788 3.061 1.00 0.00 N ATOM 1511 CA GLN C 57 -1.914 7.851 1.948 1.00 0.00 C ATOM 1512 C GLN C 57 -1.631 6.431 2.413 1.00 0.00 C ATOM 1513 O GLN C 57 -0.739 6.190 3.230 1.00 0.00 O ATOM 1514 CB GLN C 57 -0.906 8.245 0.864 1.00 0.00 C ATOM 1515 CG GLN C 57 0.534 8.023 1.263 1.00 0.00 C ATOM 1516 CD GLN C 57 1.518 8.421 0.187 1.00 0.00 C ATOM 1517 OE1 GLN C 57 2.526 7.755 0.004 1.00 0.00 O ATOM 1518 NE2 GLN C 57 1.268 9.522 -0.503 1.00 0.00 N ATOM 0 H GLN C 57 -1.140 9.498 2.984 1.00 0.00 H new ATOM 0 HA GLN C 57 -2.920 7.889 1.531 1.00 0.00 H new ATOM 0 HB2 GLN C 57 -1.116 7.673 -0.040 1.00 0.00 H new ATOM 0 HB3 GLN C 57 -1.047 9.297 0.615 1.00 0.00 H new ATOM 0 HG2 GLN C 57 0.745 8.592 2.168 1.00 0.00 H new ATOM 0 HG3 GLN C 57 0.679 6.971 1.507 1.00 0.00 H new ATOM 0 HE21 GLN C 57 0.416 10.054 -0.324 1.00 0.00 H new ATOM 0 HE22 GLN C 57 1.927 9.839 -1.214 1.00 0.00 H new ATOM 1527 N ARG C 58 -2.407 5.498 1.905 1.00 0.00 N ATOM 1528 CA ARG C 58 -2.177 4.086 2.200 1.00 0.00 C ATOM 1529 C ARG C 58 -1.939 3.273 0.930 1.00 0.00 C ATOM 1530 O ARG C 58 -2.699 3.379 -0.034 1.00 0.00 O ATOM 1531 CB ARG C 58 -3.355 3.504 2.982 1.00 0.00 C ATOM 1532 CG ARG C 58 -3.513 4.112 4.364 1.00 0.00 C ATOM 1533 CD ARG C 58 -4.634 3.452 5.145 1.00 0.00 C ATOM 1534 NE ARG C 58 -4.768 4.036 6.477 1.00 0.00 N ATOM 1535 CZ ARG C 58 -5.413 3.458 7.485 1.00 0.00 C ATOM 1536 NH1 ARG C 58 -5.999 2.280 7.317 1.00 0.00 N ATOM 1537 NH2 ARG C 58 -5.466 4.058 8.668 1.00 0.00 N ATOM 0 H ARG C 58 -3.199 5.682 1.289 1.00 0.00 H new ATOM 0 HA ARG C 58 -1.276 4.024 2.810 1.00 0.00 H new ATOM 0 HB2 ARG C 58 -4.273 3.662 2.415 1.00 0.00 H new ATOM 0 HB3 ARG C 58 -3.222 2.427 3.079 1.00 0.00 H new ATOM 0 HG2 ARG C 58 -2.578 4.011 4.915 1.00 0.00 H new ATOM 0 HG3 ARG C 58 -3.714 5.179 4.271 1.00 0.00 H new ATOM 0 HD2 ARG C 58 -5.572 3.562 4.601 1.00 0.00 H new ATOM 0 HD3 ARG C 58 -4.439 2.383 5.232 1.00 0.00 H new ATOM 0 HE ARG C 58 -4.339 4.946 6.644 1.00 0.00 H new ATOM 0 HH11 ARG C 58 -5.956 1.814 6.411 1.00 0.00 H new ATOM 0 HH12 ARG C 58 -6.493 1.841 8.094 1.00 0.00 H new ATOM 0 HH21 ARG C 58 -5.012 4.961 8.802 1.00 0.00 H new ATOM 0 HH22 ARG C 58 -5.961 3.616 9.443 1.00 0.00 H new ATOM 1551 N LEU C 59 -0.863 2.482 0.926 1.00 0.00 N ATOM 1552 CA LEU C 59 -0.601 1.535 -0.163 1.00 0.00 C ATOM 1553 C LEU C 59 -1.221 0.194 0.169 1.00 0.00 C ATOM 1554 O LEU C 59 -1.110 -0.274 1.293 1.00 0.00 O ATOM 1555 CB LEU C 59 0.894 1.329 -0.358 1.00 0.00 C ATOM 1556 CG LEU C 59 1.600 2.234 -1.344 1.00 0.00 C ATOM 1557 CD1 LEU C 59 1.106 3.639 -1.187 1.00 0.00 C ATOM 1558 CD2 LEU C 59 3.100 2.147 -1.122 1.00 0.00 C ATOM 0 H LEU C 59 -0.159 2.478 1.664 1.00 0.00 H new ATOM 0 HA LEU C 59 -1.033 1.946 -1.076 1.00 0.00 H new ATOM 0 HB2 LEU C 59 1.379 1.444 0.611 1.00 0.00 H new ATOM 0 HB3 LEU C 59 1.053 0.298 -0.674 1.00 0.00 H new ATOM 0 HG LEU C 59 1.384 1.915 -2.364 1.00 0.00 H new ATOM 0 HD11 LEU C 59 1.618 4.286 -1.899 1.00 0.00 H new ATOM 0 HD12 LEU C 59 0.033 3.670 -1.374 1.00 0.00 H new ATOM 0 HD13 LEU C 59 1.308 3.984 -0.173 1.00 0.00 H new ATOM 0 HD21 LEU C 59 3.611 2.798 -1.831 1.00 0.00 H new ATOM 0 HD22 LEU C 59 3.336 2.461 -0.105 1.00 0.00 H new ATOM 0 HD23 LEU C 59 3.431 1.119 -1.270 1.00 0.00 H new ATOM 1570 N ILE C 60 -1.897 -0.407 -0.781 1.00 0.00 N ATOM 1571 CA ILE C 60 -2.429 -1.740 -0.589 1.00 0.00 C ATOM 1572 C ILE C 60 -2.000 -2.691 -1.699 1.00 0.00 C ATOM 1573 O ILE C 60 -2.368 -2.524 -2.865 1.00 0.00 O ATOM 1574 CB ILE C 60 -3.950 -1.686 -0.548 1.00 0.00 C ATOM 1575 CG1 ILE C 60 -4.396 -0.478 0.259 1.00 0.00 C ATOM 1576 CG2 ILE C 60 -4.503 -2.960 0.050 1.00 0.00 C ATOM 1577 CD1 ILE C 60 -5.818 -0.100 -0.008 1.00 0.00 C ATOM 0 H ILE C 60 -2.093 0.003 -1.694 1.00 0.00 H new ATOM 0 HA ILE C 60 -2.033 -2.115 0.355 1.00 0.00 H new ATOM 0 HB ILE C 60 -4.334 -1.592 -1.564 1.00 0.00 H new ATOM 0 HG12 ILE C 60 -4.274 -0.690 1.321 1.00 0.00 H new ATOM 0 HG13 ILE C 60 -3.749 0.368 0.027 1.00 0.00 H new ATOM 0 HG21 ILE C 60 -5.592 -2.908 0.073 1.00 0.00 H new ATOM 0 HG22 ILE C 60 -4.193 -3.811 -0.556 1.00 0.00 H new ATOM 0 HG23 ILE C 60 -4.124 -3.080 1.065 1.00 0.00 H new ATOM 0 HD11 ILE C 60 -6.083 0.769 0.595 1.00 0.00 H new ATOM 0 HD12 ILE C 60 -5.938 0.141 -1.064 1.00 0.00 H new ATOM 0 HD13 ILE C 60 -6.471 -0.934 0.250 1.00 0.00 H new ATOM 1589 N TYR C 61 -1.220 -3.691 -1.333 1.00 0.00 N ATOM 1590 CA TYR C 61 -0.833 -4.734 -2.265 1.00 0.00 C ATOM 1591 C TYR C 61 -1.227 -6.090 -1.702 1.00 0.00 C ATOM 1592 O TYR C 61 -0.745 -6.493 -0.647 1.00 0.00 O ATOM 1593 CB TYR C 61 0.667 -4.685 -2.559 1.00 0.00 C ATOM 1594 CG TYR C 61 1.078 -5.679 -3.613 1.00 0.00 C ATOM 1595 CD1 TYR C 61 0.494 -5.647 -4.870 1.00 0.00 C ATOM 1596 CD2 TYR C 61 2.030 -6.656 -3.354 1.00 0.00 C ATOM 1597 CE1 TYR C 61 0.844 -6.554 -5.838 1.00 0.00 C ATOM 1598 CE2 TYR C 61 2.389 -7.568 -4.324 1.00 0.00 C ATOM 1599 CZ TYR C 61 1.792 -7.513 -5.563 1.00 0.00 C ATOM 1600 OH TYR C 61 2.138 -8.426 -6.527 1.00 0.00 O ATOM 0 H TYR C 61 -0.841 -3.803 -0.393 1.00 0.00 H new ATOM 0 HA TYR C 61 -1.356 -4.572 -3.208 1.00 0.00 H new ATOM 0 HB2 TYR C 61 0.938 -3.681 -2.885 1.00 0.00 H new ATOM 0 HB3 TYR C 61 1.221 -4.883 -1.641 1.00 0.00 H new ATOM 0 HD1 TYR C 61 -0.249 -4.895 -5.091 1.00 0.00 H new ATOM 0 HD2 TYR C 61 2.495 -6.702 -2.380 1.00 0.00 H new ATOM 0 HE1 TYR C 61 0.378 -6.516 -6.811 1.00 0.00 H new ATOM 0 HE2 TYR C 61 3.134 -8.321 -4.113 1.00 0.00 H new ATOM 0 HH TYR C 61 2.821 -9.033 -6.173 1.00 0.00 H new ATOM 1610 N GLN C 62 -2.131 -6.774 -2.403 1.00 0.00 N ATOM 1611 CA GLN C 62 -2.662 -8.066 -1.962 1.00 0.00 C ATOM 1612 C GLN C 62 -3.379 -7.920 -0.619 1.00 0.00 C ATOM 1613 O GLN C 62 -3.324 -8.809 0.225 1.00 0.00 O ATOM 1614 CB GLN C 62 -1.549 -9.117 -1.840 1.00 0.00 C ATOM 1615 CG GLN C 62 -0.663 -9.233 -3.070 1.00 0.00 C ATOM 1616 CD GLN C 62 0.379 -10.314 -2.929 1.00 0.00 C ATOM 1617 OE1 GLN C 62 1.481 -10.074 -2.435 1.00 0.00 O ATOM 1618 NE2 GLN C 62 0.047 -11.508 -3.368 1.00 0.00 N ATOM 0 H GLN C 62 -2.516 -6.450 -3.290 1.00 0.00 H new ATOM 0 HA GLN C 62 -3.373 -8.403 -2.717 1.00 0.00 H new ATOM 0 HB2 GLN C 62 -0.926 -8.872 -0.979 1.00 0.00 H new ATOM 0 HB3 GLN C 62 -2.002 -10.088 -1.640 1.00 0.00 H new ATOM 0 HG2 GLN C 62 -1.283 -9.441 -3.942 1.00 0.00 H new ATOM 0 HG3 GLN C 62 -0.170 -8.278 -3.250 1.00 0.00 H new ATOM 0 HE21 GLN C 62 -0.877 -11.665 -3.771 1.00 0.00 H new ATOM 0 HE22 GLN C 62 0.713 -12.278 -3.306 1.00 0.00 H new ATOM 1627 N GLY C 63 -4.031 -6.780 -0.423 1.00 0.00 N ATOM 1628 CA GLY C 63 -4.749 -6.535 0.815 1.00 0.00 C ATOM 1629 C GLY C 63 -3.835 -6.073 1.934 1.00 0.00 C ATOM 1630 O GLY C 63 -4.298 -5.684 3.006 1.00 0.00 O ATOM 0 H GLY C 63 -4.076 -6.019 -1.101 1.00 0.00 H new ATOM 0 HA2 GLY C 63 -5.517 -5.781 0.643 1.00 0.00 H new ATOM 0 HA3 GLY C 63 -5.261 -7.447 1.121 1.00 0.00 H new ATOM 1634 N ARG C 64 -2.535 -6.107 1.679 1.00 0.00 N ATOM 1635 CA ARG C 64 -1.547 -5.712 2.667 1.00 0.00 C ATOM 1636 C ARG C 64 -1.345 -4.210 2.609 1.00 0.00 C ATOM 1637 O ARG C 64 -1.093 -3.656 1.537 1.00 0.00 O ATOM 1638 CB ARG C 64 -0.220 -6.427 2.403 1.00 0.00 C ATOM 1639 CG ARG C 64 -0.348 -7.938 2.291 1.00 0.00 C ATOM 1640 CD ARG C 64 -0.687 -8.575 3.626 1.00 0.00 C ATOM 1641 NE ARG C 64 0.439 -8.526 4.556 1.00 0.00 N ATOM 1642 CZ ARG C 64 0.939 -9.594 5.178 1.00 0.00 C ATOM 1643 NH1 ARG C 64 0.463 -10.806 4.914 1.00 0.00 N ATOM 1644 NH2 ARG C 64 1.937 -9.452 6.038 1.00 0.00 N ATOM 0 H ARG C 64 -2.140 -6.407 0.788 1.00 0.00 H new ATOM 0 HA ARG C 64 -1.903 -5.991 3.659 1.00 0.00 H new ATOM 0 HB2 ARG C 64 0.214 -6.039 1.481 1.00 0.00 H new ATOM 0 HB3 ARG C 64 0.476 -6.189 3.207 1.00 0.00 H new ATOM 0 HG2 ARG C 64 -1.122 -8.184 1.564 1.00 0.00 H new ATOM 0 HG3 ARG C 64 0.587 -8.355 1.916 1.00 0.00 H new ATOM 0 HD2 ARG C 64 -1.543 -8.063 4.065 1.00 0.00 H new ATOM 0 HD3 ARG C 64 -0.983 -9.612 3.468 1.00 0.00 H new ATOM 0 HE ARG C 64 0.869 -7.619 4.741 1.00 0.00 H new ATOM 0 HH11 ARG C 64 -0.288 -10.922 4.233 1.00 0.00 H new ATOM 0 HH12 ARG C 64 0.848 -11.621 5.392 1.00 0.00 H new ATOM 0 HH21 ARG C 64 2.322 -8.526 6.224 1.00 0.00 H new ATOM 0 HH22 ARG C 64 2.320 -10.269 6.514 1.00 0.00 H new ATOM 1658 N VAL C 65 -1.459 -3.553 3.750 1.00 0.00 N ATOM 1659 CA VAL C 65 -1.368 -2.104 3.793 1.00 0.00 C ATOM 1660 C VAL C 65 0.091 -1.670 3.908 1.00 0.00 C ATOM 1661 O VAL C 65 0.639 -1.562 5.009 1.00 0.00 O ATOM 1662 CB VAL C 65 -2.181 -1.508 4.964 1.00 0.00 C ATOM 1663 CG1 VAL C 65 -2.700 -0.124 4.604 1.00 0.00 C ATOM 1664 CG2 VAL C 65 -3.326 -2.428 5.356 1.00 0.00 C ATOM 0 H VAL C 65 -1.614 -3.997 4.655 1.00 0.00 H new ATOM 0 HA VAL C 65 -1.793 -1.725 2.863 1.00 0.00 H new ATOM 0 HB VAL C 65 -1.518 -1.413 5.824 1.00 0.00 H new ATOM 0 HG11 VAL C 65 -3.270 0.280 5.441 1.00 0.00 H new ATOM 0 HG12 VAL C 65 -1.859 0.535 4.386 1.00 0.00 H new ATOM 0 HG13 VAL C 65 -3.343 -0.193 3.727 1.00 0.00 H new ATOM 0 HG21 VAL C 65 -3.882 -1.985 6.182 1.00 0.00 H new ATOM 0 HG22 VAL C 65 -3.991 -2.565 4.503 1.00 0.00 H new ATOM 0 HG23 VAL C 65 -2.927 -3.394 5.664 1.00 0.00 H new ATOM 1674 N LEU C 66 0.712 -1.452 2.757 1.00 0.00 N ATOM 1675 CA LEU C 66 2.097 -1.005 2.685 1.00 0.00 C ATOM 1676 C LEU C 66 2.160 0.460 3.097 1.00 0.00 C ATOM 1677 O LEU C 66 1.329 1.267 2.677 1.00 0.00 O ATOM 1678 CB LEU C 66 2.648 -1.161 1.265 1.00 0.00 C ATOM 1679 CG LEU C 66 2.083 -2.324 0.443 1.00 0.00 C ATOM 1680 CD1 LEU C 66 2.785 -2.396 -0.894 1.00 0.00 C ATOM 1681 CD2 LEU C 66 2.219 -3.649 1.175 1.00 0.00 C ATOM 0 H LEU C 66 0.270 -1.580 1.847 1.00 0.00 H new ATOM 0 HA LEU C 66 2.703 -1.615 3.355 1.00 0.00 H new ATOM 0 HB2 LEU C 66 2.461 -0.235 0.721 1.00 0.00 H new ATOM 0 HB3 LEU C 66 3.730 -1.280 1.329 1.00 0.00 H new ATOM 0 HG LEU C 66 1.020 -2.139 0.289 1.00 0.00 H new ATOM 0 HD11 LEU C 66 2.379 -3.225 -1.474 1.00 0.00 H new ATOM 0 HD12 LEU C 66 2.631 -1.463 -1.437 1.00 0.00 H new ATOM 0 HD13 LEU C 66 3.852 -2.552 -0.737 1.00 0.00 H new ATOM 0 HD21 LEU C 66 1.807 -4.449 0.559 1.00 0.00 H new ATOM 0 HD22 LEU C 66 3.272 -3.849 1.373 1.00 0.00 H new ATOM 0 HD23 LEU C 66 1.676 -3.601 2.119 1.00 0.00 H new ATOM 1693 N GLN C 67 3.138 0.817 3.905 1.00 0.00 N ATOM 1694 CA GLN C 67 3.161 2.145 4.492 1.00 0.00 C ATOM 1695 C GLN C 67 4.597 2.618 4.741 1.00 0.00 C ATOM 1696 O GLN C 67 5.543 2.006 4.262 1.00 0.00 O ATOM 1697 CB GLN C 67 2.366 2.124 5.797 1.00 0.00 C ATOM 1698 CG GLN C 67 2.817 1.028 6.746 1.00 0.00 C ATOM 1699 CD GLN C 67 1.851 0.809 7.886 1.00 0.00 C ATOM 1700 OE1 GLN C 67 1.964 1.432 8.941 1.00 0.00 O ATOM 1701 NE2 GLN C 67 0.898 -0.086 7.682 1.00 0.00 N ATOM 0 H GLN C 67 3.919 0.216 4.169 1.00 0.00 H new ATOM 0 HA GLN C 67 2.705 2.849 3.796 1.00 0.00 H new ATOM 0 HB2 GLN C 67 2.465 3.090 6.292 1.00 0.00 H new ATOM 0 HB3 GLN C 67 1.308 1.989 5.570 1.00 0.00 H new ATOM 0 HG2 GLN C 67 2.934 0.098 6.190 1.00 0.00 H new ATOM 0 HG3 GLN C 67 3.797 1.283 7.150 1.00 0.00 H new ATOM 0 HE21 GLN C 67 0.843 -0.579 6.790 1.00 0.00 H new ATOM 0 HE22 GLN C 67 0.218 -0.283 8.416 1.00 0.00 H new ATOM 1710 N ASP C 68 4.735 3.710 5.492 1.00 0.00 N ATOM 1711 CA ASP C 68 6.025 4.306 5.843 1.00 0.00 C ATOM 1712 C ASP C 68 6.867 3.399 6.760 1.00 0.00 C ATOM 1713 O ASP C 68 7.981 3.752 7.144 1.00 0.00 O ATOM 1714 CB ASP C 68 5.808 5.671 6.513 1.00 0.00 C ATOM 1715 CG ASP C 68 4.979 5.577 7.781 1.00 0.00 C ATOM 1716 OD1 ASP C 68 3.734 5.493 7.674 1.00 0.00 O ATOM 1717 OD2 ASP C 68 5.563 5.586 8.886 1.00 0.00 O ATOM 0 H ASP C 68 3.939 4.215 5.881 1.00 0.00 H new ATOM 0 HA ASP C 68 6.583 4.432 4.915 1.00 0.00 H new ATOM 0 HB2 ASP C 68 6.776 6.113 6.749 1.00 0.00 H new ATOM 0 HB3 ASP C 68 5.314 6.342 5.810 1.00 0.00 H new ATOM 1722 N ASP C 69 6.319 2.238 7.104 1.00 0.00 N ATOM 1723 CA ASP C 69 6.907 1.316 8.094 1.00 0.00 C ATOM 1724 C ASP C 69 8.199 0.665 7.597 1.00 0.00 C ATOM 1725 O ASP C 69 8.787 -0.179 8.275 1.00 0.00 O ATOM 1726 CB ASP C 69 5.891 0.229 8.414 1.00 0.00 C ATOM 1727 CG ASP C 69 6.186 -0.518 9.702 1.00 0.00 C ATOM 1728 OD1 ASP C 69 5.893 0.031 10.790 1.00 0.00 O ATOM 1729 OD2 ASP C 69 6.676 -1.665 9.632 1.00 0.00 O ATOM 0 H ASP C 69 5.444 1.899 6.704 1.00 0.00 H new ATOM 0 HA ASP C 69 7.157 1.897 8.981 1.00 0.00 H new ATOM 0 HB2 ASP C 69 4.900 0.678 8.483 1.00 0.00 H new ATOM 0 HB3 ASP C 69 5.861 -0.483 7.589 1.00 0.00 H new ATOM 1734 N LYS C 70 8.610 1.057 6.406 1.00 0.00 N ATOM 1735 CA LYS C 70 9.874 0.615 5.799 1.00 0.00 C ATOM 1736 C LYS C 70 9.813 -0.838 5.336 1.00 0.00 C ATOM 1737 O LYS C 70 8.770 -1.487 5.431 1.00 0.00 O ATOM 1738 CB LYS C 70 11.039 0.803 6.776 1.00 0.00 C ATOM 1739 CG LYS C 70 11.181 2.227 7.279 1.00 0.00 C ATOM 1740 CD LYS C 70 12.342 2.367 8.258 1.00 0.00 C ATOM 1741 CE LYS C 70 13.671 1.959 7.638 1.00 0.00 C ATOM 1742 NZ LYS C 70 14.771 1.955 8.639 1.00 0.00 N ATOM 0 H LYS C 70 8.078 1.698 5.818 1.00 0.00 H new ATOM 0 HA LYS C 70 10.038 1.237 4.919 1.00 0.00 H new ATOM 0 HB2 LYS C 70 10.900 0.137 7.628 1.00 0.00 H new ATOM 0 HB3 LYS C 70 11.966 0.505 6.286 1.00 0.00 H new ATOM 0 HG2 LYS C 70 11.335 2.898 6.434 1.00 0.00 H new ATOM 0 HG3 LYS C 70 10.256 2.535 7.766 1.00 0.00 H new ATOM 0 HD2 LYS C 70 12.404 3.400 8.599 1.00 0.00 H new ATOM 0 HD3 LYS C 70 12.149 1.752 9.137 1.00 0.00 H new ATOM 0 HE2 LYS C 70 13.577 0.966 7.198 1.00 0.00 H new ATOM 0 HE3 LYS C 70 13.920 2.645 6.828 1.00 0.00 H new ATOM 0 HZ1 LYS C 70 15.659 1.672 8.178 1.00 0.00 H new ATOM 0 HZ2 LYS C 70 14.878 2.908 9.041 1.00 0.00 H new ATOM 0 HZ3 LYS C 70 14.546 1.282 9.399 1.00 0.00 H new ATOM 1756 N LYS C 71 10.949 -1.326 4.822 1.00 0.00 N ATOM 1757 CA LYS C 71 11.087 -2.710 4.358 1.00 0.00 C ATOM 1758 C LYS C 71 10.289 -2.939 3.071 1.00 0.00 C ATOM 1759 O LYS C 71 9.325 -3.705 3.043 1.00 0.00 O ATOM 1760 CB LYS C 71 10.660 -3.694 5.457 1.00 0.00 C ATOM 1761 CG LYS C 71 11.506 -3.602 6.721 1.00 0.00 C ATOM 1762 CD LYS C 71 10.922 -4.448 7.843 1.00 0.00 C ATOM 1763 CE LYS C 71 11.806 -4.438 9.079 1.00 0.00 C ATOM 1764 NZ LYS C 71 13.123 -5.080 8.829 1.00 0.00 N ATOM 0 H LYS C 71 11.798 -0.771 4.717 1.00 0.00 H new ATOM 0 HA LYS C 71 12.138 -2.891 4.132 1.00 0.00 H new ATOM 0 HB2 LYS C 71 9.617 -3.509 5.714 1.00 0.00 H new ATOM 0 HB3 LYS C 71 10.716 -4.710 5.065 1.00 0.00 H new ATOM 0 HG2 LYS C 71 12.522 -3.932 6.505 1.00 0.00 H new ATOM 0 HG3 LYS C 71 11.570 -2.563 7.043 1.00 0.00 H new ATOM 0 HD2 LYS C 71 9.932 -4.074 8.102 1.00 0.00 H new ATOM 0 HD3 LYS C 71 10.795 -5.473 7.496 1.00 0.00 H new ATOM 0 HE2 LYS C 71 11.961 -3.410 9.405 1.00 0.00 H new ATOM 0 HE3 LYS C 71 11.298 -4.957 9.892 1.00 0.00 H new ATOM 0 HZ1 LYS C 71 13.604 -5.251 9.735 1.00 0.00 H new ATOM 0 HZ2 LYS C 71 12.980 -5.985 8.337 1.00 0.00 H new ATOM 0 HZ3 LYS C 71 13.708 -4.454 8.239 1.00 0.00 H new ATOM 1778 N LEU C 72 10.731 -2.285 1.998 1.00 0.00 N ATOM 1779 CA LEU C 72 10.038 -2.321 0.708 1.00 0.00 C ATOM 1780 C LEU C 72 10.013 -3.723 0.094 1.00 0.00 C ATOM 1781 O LEU C 72 8.997 -4.147 -0.454 1.00 0.00 O ATOM 1782 CB LEU C 72 10.699 -1.348 -0.274 1.00 0.00 C ATOM 1783 CG LEU C 72 10.216 0.104 -0.211 1.00 0.00 C ATOM 1784 CD1 LEU C 72 11.305 1.058 -0.677 1.00 0.00 C ATOM 1785 CD2 LEU C 72 8.969 0.281 -1.068 1.00 0.00 C ATOM 0 H LEU C 72 11.578 -1.716 1.997 1.00 0.00 H new ATOM 0 HA LEU C 72 9.006 -2.023 0.895 1.00 0.00 H new ATOM 0 HB2 LEU C 72 11.775 -1.360 -0.097 1.00 0.00 H new ATOM 0 HB3 LEU C 72 10.538 -1.720 -1.286 1.00 0.00 H new ATOM 0 HG LEU C 72 9.974 0.337 0.826 1.00 0.00 H new ATOM 0 HD11 LEU C 72 10.938 2.083 -0.623 1.00 0.00 H new ATOM 0 HD12 LEU C 72 12.180 0.952 -0.036 1.00 0.00 H new ATOM 0 HD13 LEU C 72 11.578 0.824 -1.706 1.00 0.00 H new ATOM 0 HD21 LEU C 72 8.635 1.317 -1.015 1.00 0.00 H new ATOM 0 HD22 LEU C 72 9.199 0.026 -2.103 1.00 0.00 H new ATOM 0 HD23 LEU C 72 8.179 -0.374 -0.700 1.00 0.00 H new ATOM 1797 N GLN C 73 11.126 -4.441 0.173 1.00 0.00 N ATOM 1798 CA GLN C 73 11.242 -5.737 -0.444 1.00 0.00 C ATOM 1799 C GLN C 73 10.414 -6.792 0.271 1.00 0.00 C ATOM 1800 O GLN C 73 10.120 -7.843 -0.295 1.00 0.00 O ATOM 1801 CB GLN C 73 12.697 -6.130 -0.479 1.00 0.00 C ATOM 1802 CG GLN C 73 13.426 -5.962 0.846 1.00 0.00 C ATOM 1803 CD GLN C 73 14.931 -6.107 0.722 1.00 0.00 C ATOM 1804 OE1 GLN C 73 15.387 -6.896 -0.238 1.00 0.00 O flip ATOM 1805 NE2 GLN C 73 15.681 -5.510 1.489 1.00 0.00 N flip ATOM 0 H GLN C 73 11.965 -4.135 0.666 1.00 0.00 H new ATOM 0 HA GLN C 73 10.848 -5.673 -1.458 1.00 0.00 H new ATOM 0 HB2 GLN C 73 12.772 -7.172 -0.791 1.00 0.00 H new ATOM 0 HB3 GLN C 73 13.204 -5.533 -1.237 1.00 0.00 H new ATOM 0 HG2 GLN C 73 13.195 -4.980 1.259 1.00 0.00 H new ATOM 0 HG3 GLN C 73 13.053 -6.701 1.555 1.00 0.00 H new ATOM 0 HE21 GLN C 73 15.294 -4.910 2.217 1.00 0.00 H new ATOM 0 HE22 GLN C 73 16.692 -5.614 1.398 1.00 0.00 H new ATOM 1814 N GLU C 74 10.031 -6.510 1.505 1.00 0.00 N ATOM 1815 CA GLU C 74 9.123 -7.385 2.219 1.00 0.00 C ATOM 1816 C GLU C 74 7.741 -7.293 1.596 1.00 0.00 C ATOM 1817 O GLU C 74 6.962 -8.248 1.639 1.00 0.00 O ATOM 1818 CB GLU C 74 9.074 -7.048 3.705 1.00 0.00 C ATOM 1819 CG GLU C 74 10.400 -7.278 4.408 1.00 0.00 C ATOM 1820 CD GLU C 74 10.277 -7.244 5.915 1.00 0.00 C ATOM 1821 OE1 GLU C 74 9.259 -6.739 6.427 1.00 0.00 O ATOM 1822 OE2 GLU C 74 11.203 -7.732 6.596 1.00 0.00 O ATOM 0 H GLU C 74 10.333 -5.688 2.028 1.00 0.00 H new ATOM 0 HA GLU C 74 9.488 -8.409 2.136 1.00 0.00 H new ATOM 0 HB2 GLU C 74 8.781 -6.005 3.826 1.00 0.00 H new ATOM 0 HB3 GLU C 74 8.305 -7.653 4.184 1.00 0.00 H new ATOM 0 HG2 GLU C 74 10.806 -8.243 4.103 1.00 0.00 H new ATOM 0 HG3 GLU C 74 11.112 -6.517 4.089 1.00 0.00 H new ATOM 1829 N TYR C 75 7.446 -6.140 0.996 1.00 0.00 N ATOM 1830 CA TYR C 75 6.191 -5.965 0.292 1.00 0.00 C ATOM 1831 C TYR C 75 6.263 -6.732 -1.019 1.00 0.00 C ATOM 1832 O TYR C 75 5.242 -7.128 -1.586 1.00 0.00 O ATOM 1833 CB TYR C 75 5.903 -4.477 0.036 1.00 0.00 C ATOM 1834 CG TYR C 75 5.946 -3.603 1.279 1.00 0.00 C ATOM 1835 CD1 TYR C 75 5.231 -3.931 2.427 1.00 0.00 C ATOM 1836 CD2 TYR C 75 6.696 -2.436 1.293 1.00 0.00 C ATOM 1837 CE1 TYR C 75 5.264 -3.123 3.546 1.00 0.00 C ATOM 1838 CE2 TYR C 75 6.739 -1.619 2.415 1.00 0.00 C ATOM 1839 CZ TYR C 75 6.019 -1.971 3.536 1.00 0.00 C ATOM 1840 OH TYR C 75 6.042 -1.162 4.647 1.00 0.00 O ATOM 0 H TYR C 75 8.058 -5.324 0.987 1.00 0.00 H new ATOM 0 HA TYR C 75 5.375 -6.351 0.903 1.00 0.00 H new ATOM 0 HB2 TYR C 75 6.628 -4.098 -0.684 1.00 0.00 H new ATOM 0 HB3 TYR C 75 4.919 -4.384 -0.424 1.00 0.00 H new ATOM 0 HD1 TYR C 75 4.639 -4.834 2.443 1.00 0.00 H new ATOM 0 HD2 TYR C 75 7.258 -2.157 0.414 1.00 0.00 H new ATOM 0 HE1 TYR C 75 4.700 -3.393 4.426 1.00 0.00 H new ATOM 0 HE2 TYR C 75 7.331 -0.716 2.409 1.00 0.00 H new ATOM 0 HH TYR C 75 6.940 -1.171 5.040 1.00 0.00 H new ATOM 1850 N ASN C 76 7.514 -6.936 -1.478 1.00 0.00 N ATOM 1851 CA ASN C 76 7.821 -7.809 -2.617 1.00 0.00 C ATOM 1852 C ASN C 76 7.174 -7.206 -3.833 1.00 0.00 C ATOM 1853 O ASN C 76 6.692 -7.875 -4.745 1.00 0.00 O ATOM 1854 CB ASN C 76 7.329 -9.237 -2.359 1.00 0.00 C ATOM 1855 CG ASN C 76 7.703 -10.209 -3.469 1.00 0.00 C ATOM 1856 OD1 ASN C 76 8.747 -10.070 -4.113 1.00 0.00 O ATOM 1857 ND2 ASN C 76 6.850 -11.192 -3.705 1.00 0.00 N ATOM 0 H ASN C 76 8.337 -6.497 -1.065 1.00 0.00 H new ATOM 0 HA ASN C 76 8.898 -7.881 -2.769 1.00 0.00 H new ATOM 0 HB2 ASN C 76 7.746 -9.593 -1.417 1.00 0.00 H new ATOM 0 HB3 ASN C 76 6.245 -9.226 -2.244 1.00 0.00 H new ATOM 0 HD21 ASN C 76 7.044 -11.870 -4.442 1.00 0.00 H new ATOM 0 HD22 ASN C 76 5.998 -11.272 -3.150 1.00 0.00 H new ATOM 1864 N VAL C 77 7.217 -5.903 -3.813 1.00 0.00 N ATOM 1865 CA VAL C 77 6.369 -5.084 -4.623 1.00 0.00 C ATOM 1866 C VAL C 77 7.061 -4.641 -5.915 1.00 0.00 C ATOM 1867 O VAL C 77 6.481 -3.954 -6.760 1.00 0.00 O ATOM 1868 CB VAL C 77 5.947 -3.908 -3.733 1.00 0.00 C ATOM 1869 CG1 VAL C 77 6.553 -2.592 -4.162 1.00 0.00 C ATOM 1870 CG2 VAL C 77 4.450 -3.862 -3.627 1.00 0.00 C ATOM 0 H VAL C 77 7.856 -5.373 -3.220 1.00 0.00 H new ATOM 0 HA VAL C 77 5.493 -5.634 -4.967 1.00 0.00 H new ATOM 0 HB VAL C 77 6.351 -4.078 -2.735 1.00 0.00 H new ATOM 0 HG11 VAL C 77 6.216 -1.801 -3.493 1.00 0.00 H new ATOM 0 HG12 VAL C 77 7.640 -2.662 -4.122 1.00 0.00 H new ATOM 0 HG13 VAL C 77 6.241 -2.363 -5.181 1.00 0.00 H new ATOM 0 HG21 VAL C 77 4.156 -3.025 -2.994 1.00 0.00 H new ATOM 0 HG22 VAL C 77 4.019 -3.735 -4.620 1.00 0.00 H new ATOM 0 HG23 VAL C 77 4.087 -4.792 -3.190 1.00 0.00 H new ATOM 1880 N GLY C 78 8.291 -5.093 -6.069 1.00 0.00 N ATOM 1881 CA GLY C 78 9.094 -4.743 -7.202 1.00 0.00 C ATOM 1882 C GLY C 78 8.616 -5.371 -8.465 1.00 0.00 C ATOM 1883 O GLY C 78 8.824 -6.553 -8.741 1.00 0.00 O ATOM 0 H GLY C 78 8.753 -5.714 -5.405 1.00 0.00 H new ATOM 0 HA2 GLY C 78 9.096 -3.659 -7.319 1.00 0.00 H new ATOM 0 HA3 GLY C 78 10.125 -5.046 -7.018 1.00 0.00 H new ATOM 1887 N GLY C 79 7.967 -4.546 -9.202 1.00 0.00 N ATOM 1888 CA GLY C 79 7.536 -4.894 -10.538 1.00 0.00 C ATOM 1889 C GLY C 79 6.055 -5.217 -10.654 1.00 0.00 C ATOM 1890 O GLY C 79 5.615 -5.778 -11.657 1.00 0.00 O ATOM 0 H GLY C 79 7.711 -3.603 -8.910 1.00 0.00 H new ATOM 0 HA2 GLY C 79 7.769 -4.067 -11.209 1.00 0.00 H new ATOM 0 HA3 GLY C 79 8.111 -5.754 -10.880 1.00 0.00 H new ATOM 1894 N LYS C 80 5.289 -4.881 -9.634 1.00 0.00 N ATOM 1895 CA LYS C 80 3.835 -5.044 -9.679 1.00 0.00 C ATOM 1896 C LYS C 80 3.178 -3.706 -9.374 1.00 0.00 C ATOM 1897 O LYS C 80 3.797 -2.868 -8.717 1.00 0.00 O ATOM 1898 CB LYS C 80 3.386 -6.071 -8.641 1.00 0.00 C ATOM 1899 CG LYS C 80 4.166 -7.379 -8.668 1.00 0.00 C ATOM 1900 CD LYS C 80 3.935 -8.166 -9.951 1.00 0.00 C ATOM 1901 CE LYS C 80 4.539 -9.561 -9.862 1.00 0.00 C ATOM 1902 NZ LYS C 80 3.924 -10.362 -8.769 1.00 0.00 N ATOM 0 H LYS C 80 5.643 -4.492 -8.760 1.00 0.00 H new ATOM 0 HA LYS C 80 3.544 -5.391 -10.670 1.00 0.00 H new ATOM 0 HB2 LYS C 80 3.476 -5.629 -7.649 1.00 0.00 H new ATOM 0 HB3 LYS C 80 2.330 -6.289 -8.798 1.00 0.00 H new ATOM 0 HG2 LYS C 80 5.230 -7.167 -8.562 1.00 0.00 H new ATOM 0 HG3 LYS C 80 3.876 -7.990 -7.813 1.00 0.00 H new ATOM 0 HD2 LYS C 80 2.865 -8.243 -10.145 1.00 0.00 H new ATOM 0 HD3 LYS C 80 4.374 -7.630 -10.793 1.00 0.00 H new ATOM 0 HE2 LYS C 80 4.402 -10.077 -10.812 1.00 0.00 H new ATOM 0 HE3 LYS C 80 5.613 -9.482 -9.694 1.00 0.00 H new ATOM 0 HZ1 LYS C 80 3.635 -11.290 -9.139 1.00 0.00 H new ATOM 0 HZ2 LYS C 80 4.616 -10.494 -8.004 1.00 0.00 H new ATOM 0 HZ3 LYS C 80 3.090 -9.862 -8.399 1.00 0.00 H new ATOM 1916 N VAL C 81 1.946 -3.474 -9.850 1.00 0.00 N ATOM 1917 CA VAL C 81 1.251 -2.246 -9.471 1.00 0.00 C ATOM 1918 C VAL C 81 0.533 -2.440 -8.141 1.00 0.00 C ATOM 1919 O VAL C 81 -0.151 -3.443 -7.914 1.00 0.00 O ATOM 1920 CB VAL C 81 0.241 -1.659 -10.507 1.00 0.00 C ATOM 1921 CG1 VAL C 81 0.733 -1.657 -11.936 1.00 0.00 C ATOM 1922 CG2 VAL C 81 -1.072 -2.342 -10.424 1.00 0.00 C ATOM 0 H VAL C 81 1.431 -4.096 -10.473 1.00 0.00 H new ATOM 0 HA VAL C 81 2.051 -1.509 -9.409 1.00 0.00 H new ATOM 0 HB VAL C 81 0.132 -0.612 -10.224 1.00 0.00 H new ATOM 0 HG11 VAL C 81 -0.033 -1.232 -12.584 1.00 0.00 H new ATOM 0 HG12 VAL C 81 1.641 -1.058 -12.007 1.00 0.00 H new ATOM 0 HG13 VAL C 81 0.947 -2.679 -12.249 1.00 0.00 H new ATOM 0 HG21 VAL C 81 -1.753 -1.911 -11.158 1.00 0.00 H new ATOM 0 HG22 VAL C 81 -0.943 -3.405 -10.629 1.00 0.00 H new ATOM 0 HG23 VAL C 81 -1.487 -2.213 -9.424 1.00 0.00 H new ATOM 1932 N ILE C 82 0.744 -1.493 -7.252 1.00 0.00 N ATOM 1933 CA ILE C 82 0.018 -1.436 -6.007 1.00 0.00 C ATOM 1934 C ILE C 82 -1.306 -0.738 -6.233 1.00 0.00 C ATOM 1935 O ILE C 82 -1.483 -0.060 -7.233 1.00 0.00 O ATOM 1936 CB ILE C 82 0.812 -0.675 -4.918 1.00 0.00 C ATOM 1937 CG1 ILE C 82 2.182 -1.253 -4.753 1.00 0.00 C ATOM 1938 CG2 ILE C 82 0.088 -0.681 -3.580 1.00 0.00 C ATOM 1939 CD1 ILE C 82 3.039 -0.495 -3.763 1.00 0.00 C ATOM 0 H ILE C 82 1.424 -0.743 -7.374 1.00 0.00 H new ATOM 0 HA ILE C 82 -0.140 -2.458 -5.662 1.00 0.00 H new ATOM 0 HB ILE C 82 0.898 0.359 -5.253 1.00 0.00 H new ATOM 0 HG12 ILE C 82 2.094 -2.289 -4.427 1.00 0.00 H new ATOM 0 HG13 ILE C 82 2.682 -1.265 -5.721 1.00 0.00 H new ATOM 0 HG21 ILE C 82 0.679 -0.136 -2.844 1.00 0.00 H new ATOM 0 HG22 ILE C 82 -0.885 -0.202 -3.691 1.00 0.00 H new ATOM 0 HG23 ILE C 82 -0.050 -1.709 -3.246 1.00 0.00 H new ATOM 0 HD11 ILE C 82 4.018 -0.968 -3.692 1.00 0.00 H new ATOM 0 HD12 ILE C 82 3.157 0.535 -4.098 1.00 0.00 H new ATOM 0 HD13 ILE C 82 2.560 -0.505 -2.784 1.00 0.00 H new ATOM 1951 N HIS C 83 -2.249 -0.933 -5.341 1.00 0.00 N ATOM 1952 CA HIS C 83 -3.421 -0.096 -5.326 1.00 0.00 C ATOM 1953 C HIS C 83 -3.356 0.794 -4.110 1.00 0.00 C ATOM 1954 O HIS C 83 -3.433 0.310 -2.986 1.00 0.00 O ATOM 1955 CB HIS C 83 -4.711 -0.925 -5.273 1.00 0.00 C ATOM 1956 CG HIS C 83 -4.981 -1.713 -6.518 1.00 0.00 C ATOM 1957 ND1 HIS C 83 -5.904 -2.734 -6.575 1.00 0.00 N ATOM 1958 CD2 HIS C 83 -4.450 -1.624 -7.760 1.00 0.00 C ATOM 1959 CE1 HIS C 83 -5.927 -3.238 -7.792 1.00 0.00 C ATOM 1960 NE2 HIS C 83 -5.059 -2.581 -8.530 1.00 0.00 N ATOM 0 H HIS C 83 -2.227 -1.657 -4.623 1.00 0.00 H new ATOM 0 HA HIS C 83 -3.439 0.491 -6.244 1.00 0.00 H new ATOM 0 HB2 HIS C 83 -4.656 -1.610 -4.427 1.00 0.00 H new ATOM 0 HB3 HIS C 83 -5.552 -0.257 -5.088 1.00 0.00 H new ATOM 0 HD1 HIS C 83 -6.481 -3.051 -5.795 1.00 0.00 H new ATOM 0 HD2 HIS C 83 -3.689 -0.929 -8.084 1.00 0.00 H new ATOM 0 HE1 HIS C 83 -6.552 -4.052 -8.127 1.00 0.00 H new ATOM 1969 N LEU C 84 -3.194 2.080 -4.314 1.00 0.00 N ATOM 1970 CA LEU C 84 -3.279 2.992 -3.197 1.00 0.00 C ATOM 1971 C LEU C 84 -4.640 3.649 -3.213 1.00 0.00 C ATOM 1972 O LEU C 84 -5.277 3.760 -4.263 1.00 0.00 O ATOM 1973 CB LEU C 84 -2.167 4.045 -3.197 1.00 0.00 C ATOM 1974 CG LEU C 84 -2.468 5.330 -3.961 1.00 0.00 C ATOM 1975 CD1 LEU C 84 -1.726 6.492 -3.332 1.00 0.00 C ATOM 1976 CD2 LEU C 84 -2.077 5.185 -5.416 1.00 0.00 C ATOM 0 H LEU C 84 -3.007 2.511 -5.219 1.00 0.00 H new ATOM 0 HA LEU C 84 -3.144 2.418 -2.280 1.00 0.00 H new ATOM 0 HB2 LEU C 84 -1.939 4.305 -2.163 1.00 0.00 H new ATOM 0 HB3 LEU C 84 -1.268 3.596 -3.619 1.00 0.00 H new ATOM 0 HG LEU C 84 -3.539 5.525 -3.910 1.00 0.00 H new ATOM 0 HD11 LEU C 84 -1.946 7.406 -3.884 1.00 0.00 H new ATOM 0 HD12 LEU C 84 -2.043 6.608 -2.296 1.00 0.00 H new ATOM 0 HD13 LEU C 84 -0.654 6.299 -3.364 1.00 0.00 H new ATOM 0 HD21 LEU C 84 -2.299 6.111 -5.946 1.00 0.00 H new ATOM 0 HD22 LEU C 84 -1.010 4.973 -5.487 1.00 0.00 H new ATOM 0 HD23 LEU C 84 -2.640 4.366 -5.864 1.00 0.00 H new ATOM 1988 N VAL C 85 -5.093 4.063 -2.058 1.00 0.00 N ATOM 1989 CA VAL C 85 -6.428 4.597 -1.936 1.00 0.00 C ATOM 1990 C VAL C 85 -6.416 5.951 -1.265 1.00 0.00 C ATOM 1991 O VAL C 85 -5.358 6.481 -0.921 1.00 0.00 O ATOM 1992 CB VAL C 85 -7.338 3.648 -1.138 1.00 0.00 C ATOM 1993 CG1 VAL C 85 -7.607 2.375 -1.927 1.00 0.00 C ATOM 1994 CG2 VAL C 85 -6.705 3.329 0.209 1.00 0.00 C ATOM 0 H VAL C 85 -4.560 4.042 -1.189 1.00 0.00 H new ATOM 0 HA VAL C 85 -6.821 4.702 -2.947 1.00 0.00 H new ATOM 0 HB VAL C 85 -8.294 4.142 -0.963 1.00 0.00 H new ATOM 0 HG11 VAL C 85 -8.252 1.716 -1.346 1.00 0.00 H new ATOM 0 HG12 VAL C 85 -8.097 2.627 -2.867 1.00 0.00 H new ATOM 0 HG13 VAL C 85 -6.664 1.869 -2.134 1.00 0.00 H new ATOM 0 HG21 VAL C 85 -7.356 2.656 0.767 1.00 0.00 H new ATOM 0 HG22 VAL C 85 -5.738 2.851 0.053 1.00 0.00 H new ATOM 0 HG23 VAL C 85 -6.566 4.251 0.773 1.00 0.00 H new