USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 722 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 87 THR OG1 : rot -114:sc= 0.343 USER MOD Set 1.2: A 109 HIS : no HD1:sc= -0.861 K(o=-0.52,f=-5.2) USER MOD Set 2.1: A 34 TYR OH : rot 165:sc= 0.00255 USER MOD Set 2.2: A 100 LYS NZ :NH3+ -142:sc= 0.00228 (180deg=0) USER MOD Single : A 10 ASN :FLIP amide:sc= -1.91! C(o=-5.8!,f=-1.9!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.119 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.824 USER MOD Single : A 22 THR OG1 : rot 51:sc= 0.313 USER MOD Single : A 25 HIS : no HE2:sc= -2.64 K(o=-2.6,f=-7.9!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 35 MET CE :methyl 145:sc= -2.11 (180deg=-4.39!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.254 USER MOD Single : A 48 SER OG : rot 72:sc= -0.842! USER MOD Single : A 56 CYS SG : rot -160:sc= -0.971 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= -0.593 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -134:sc= 1.08 (180deg=-0.0533) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HE2:sc= -7.72! C(o=-7.7!,f=-13!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -140:sc= -2.2 USER MOD Single : A 103 ASN :FLIP amide:sc= -4.7! C(o=-10!,f=-4.7!) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.403 USER MOD Single : A 111 ASN :FLIP amide:sc= -0.15 F(o=-1.3,f=-0.15) USER MOD Single : A 113 LYS NZ :NH3+ 166:sc= -0.0569 (180deg=-0.31) USER MOD ----------------------------------------------------------------- ATOM 179 N ASN A 10 -0.043 -8.180 13.019 1.00 0.00 N ATOM 180 CA ASN A 10 0.081 -7.536 11.719 1.00 0.00 C ATOM 181 C ASN A 10 1.498 -7.042 11.475 1.00 0.00 C ATOM 182 O ASN A 10 2.299 -7.712 10.821 1.00 0.00 O ATOM 183 CB ASN A 10 -0.890 -6.362 11.620 1.00 0.00 C ATOM 184 CG ASN A 10 -1.462 -5.948 12.962 1.00 0.00 C ATOM 185 OD1 ASN A 10 -0.773 -5.038 13.644 1.00 0.00 O flip ATOM 186 ND2 ASN A 10 -2.514 -6.434 13.378 1.00 0.00 N flip ATOM 0 HA ASN A 10 -0.159 -8.279 10.958 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -0.377 -5.511 11.172 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.707 -6.630 10.950 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -3.010 -7.130 12.821 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -2.890 -6.141 14.280 1.00 0.00 H new ATOM 193 N ASP A 11 1.782 -5.857 12.000 1.00 0.00 N ATOM 194 CA ASP A 11 3.083 -5.222 11.865 1.00 0.00 C ATOM 195 C ASP A 11 4.213 -6.242 11.835 1.00 0.00 C ATOM 196 O ASP A 11 4.576 -6.820 12.858 1.00 0.00 O ATOM 197 CB ASP A 11 3.298 -4.231 13.007 1.00 0.00 C ATOM 198 CG ASP A 11 2.639 -4.684 14.295 1.00 0.00 C ATOM 199 OD1 ASP A 11 3.120 -5.667 14.896 1.00 0.00 O ATOM 200 OD2 ASP A 11 1.638 -4.057 14.702 1.00 0.00 O ATOM 0 H ASP A 11 1.110 -5.307 12.535 1.00 0.00 H new ATOM 0 HA ASP A 11 3.097 -4.691 10.913 1.00 0.00 H new ATOM 0 HB2 ASP A 11 4.367 -4.100 13.175 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.899 -3.258 12.720 1.00 0.00 H new ATOM 205 N LYS A 12 4.748 -6.460 10.642 1.00 0.00 N ATOM 206 CA LYS A 12 5.846 -7.401 10.449 1.00 0.00 C ATOM 207 C LYS A 12 7.196 -6.715 10.630 1.00 0.00 C ATOM 208 O LYS A 12 7.718 -6.088 9.708 1.00 0.00 O ATOM 209 CB LYS A 12 5.767 -8.038 9.059 1.00 0.00 C ATOM 210 CG LYS A 12 4.956 -9.324 9.021 1.00 0.00 C ATOM 211 CD LYS A 12 5.848 -10.557 9.108 1.00 0.00 C ATOM 212 CE LYS A 12 6.635 -10.600 10.410 1.00 0.00 C ATOM 213 NZ LYS A 12 7.466 -11.830 10.517 1.00 0.00 N ATOM 0 H LYS A 12 4.439 -5.996 9.788 1.00 0.00 H new ATOM 0 HA LYS A 12 5.753 -8.181 11.204 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.328 -7.321 8.365 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.777 -8.245 8.706 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.245 -9.330 9.847 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.374 -9.360 8.100 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.235 -11.455 9.025 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.540 -10.564 8.266 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.277 -9.722 10.475 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.945 -10.554 11.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.986 -11.820 11.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.852 -12.668 10.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.142 -11.862 9.727 1.00 0.00 H new ATOM 227 N TRP A 13 7.753 -6.838 11.829 1.00 0.00 N ATOM 228 CA TRP A 13 9.037 -6.242 12.152 1.00 0.00 C ATOM 229 C TRP A 13 10.174 -7.101 11.611 1.00 0.00 C ATOM 230 O TRP A 13 10.534 -8.116 12.210 1.00 0.00 O ATOM 231 CB TRP A 13 9.148 -6.078 13.669 1.00 0.00 C ATOM 232 CG TRP A 13 7.836 -5.727 14.311 1.00 0.00 C ATOM 233 CD1 TRP A 13 6.845 -6.596 14.668 1.00 0.00 C ATOM 234 CD2 TRP A 13 7.365 -4.418 14.662 1.00 0.00 C ATOM 235 NE1 TRP A 13 5.780 -5.908 15.200 1.00 0.00 N ATOM 236 CE2 TRP A 13 6.075 -4.570 15.211 1.00 0.00 C ATOM 237 CE3 TRP A 13 7.905 -3.134 14.564 1.00 0.00 C ATOM 238 CZ2 TRP A 13 5.318 -3.485 15.654 1.00 0.00 C ATOM 239 CZ3 TRP A 13 7.156 -2.060 15.008 1.00 0.00 C ATOM 240 CH2 TRP A 13 5.874 -2.241 15.544 1.00 0.00 C ATOM 0 H TRP A 13 7.327 -7.352 12.600 1.00 0.00 H new ATOM 0 HA TRP A 13 9.112 -5.261 11.683 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.525 -7.004 14.104 1.00 0.00 H new ATOM 0 HB3 TRP A 13 9.878 -5.300 13.894 1.00 0.00 H new ATOM 0 HD1 TRP A 13 6.891 -7.669 14.550 1.00 0.00 H new ATOM 0 HE1 TRP A 13 4.911 -6.326 15.533 1.00 0.00 H new ATOM 0 HE3 TRP A 13 8.890 -2.983 14.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 4.330 -3.623 16.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 7.567 -1.063 14.940 1.00 0.00 H new ATOM 0 HH2 TRP A 13 5.314 -1.380 15.877 1.00 0.00 H new ATOM 251 N VAL A 14 10.740 -6.690 10.475 1.00 0.00 N ATOM 252 CA VAL A 14 11.825 -7.452 9.853 1.00 0.00 C ATOM 253 C VAL A 14 12.825 -6.551 9.146 1.00 0.00 C ATOM 254 O VAL A 14 12.772 -5.329 9.267 1.00 0.00 O ATOM 255 CB VAL A 14 11.280 -8.479 8.837 1.00 0.00 C ATOM 256 CG1 VAL A 14 10.427 -9.528 9.535 1.00 0.00 C ATOM 257 CG2 VAL A 14 10.487 -7.780 7.743 1.00 0.00 C ATOM 0 H VAL A 14 10.470 -5.845 9.972 1.00 0.00 H new ATOM 0 HA VAL A 14 12.332 -7.973 10.665 1.00 0.00 H new ATOM 0 HB VAL A 14 12.128 -8.985 8.375 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.054 -10.241 8.800 1.00 0.00 H new ATOM 0 HG12 VAL A 14 11.030 -10.053 10.276 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.586 -9.043 10.030 1.00 0.00 H new ATOM 0 HG21 VAL A 14 10.111 -8.520 7.037 1.00 0.00 H new ATOM 0 HG22 VAL A 14 9.648 -7.244 8.187 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.133 -7.074 7.220 1.00 0.00 H new ATOM 267 N ASP A 15 13.740 -7.180 8.415 1.00 0.00 N ATOM 268 CA ASP A 15 14.778 -6.473 7.676 1.00 0.00 C ATOM 269 C ASP A 15 14.493 -6.506 6.177 1.00 0.00 C ATOM 270 O ASP A 15 13.467 -7.037 5.750 1.00 0.00 O ATOM 271 CB ASP A 15 16.131 -7.114 7.972 1.00 0.00 C ATOM 272 CG ASP A 15 16.816 -6.500 9.176 1.00 0.00 C ATOM 273 OD1 ASP A 15 16.489 -6.902 10.313 1.00 0.00 O ATOM 274 OD2 ASP A 15 17.678 -5.619 8.982 1.00 0.00 O ATOM 0 H ASP A 15 13.782 -8.195 8.319 1.00 0.00 H new ATOM 0 HA ASP A 15 14.792 -5.430 7.992 1.00 0.00 H new ATOM 0 HB2 ASP A 15 15.993 -8.182 8.142 1.00 0.00 H new ATOM 0 HB3 ASP A 15 16.776 -7.011 7.100 1.00 0.00 H new ATOM 279 N THR A 16 15.401 -5.943 5.375 1.00 0.00 N ATOM 280 CA THR A 16 15.217 -5.921 3.925 1.00 0.00 C ATOM 281 C THR A 16 16.426 -5.334 3.199 1.00 0.00 C ATOM 282 O THR A 16 17.444 -5.012 3.812 1.00 0.00 O ATOM 283 CB THR A 16 13.966 -5.104 3.542 1.00 0.00 C ATOM 284 OG1 THR A 16 13.460 -5.544 2.277 1.00 0.00 O ATOM 285 CG2 THR A 16 14.278 -3.617 3.473 1.00 0.00 C ATOM 0 H THR A 16 16.261 -5.502 5.702 1.00 0.00 H new ATOM 0 HA THR A 16 15.094 -6.959 3.615 1.00 0.00 H new ATOM 0 HB THR A 16 13.214 -5.264 4.314 1.00 0.00 H new ATOM 0 HG1 THR A 16 12.665 -5.021 2.043 1.00 0.00 H new ATOM 0 HG21 THR A 16 13.376 -3.068 3.201 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.632 -3.274 4.445 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.050 -3.442 2.723 1.00 0.00 H new ATOM 293 N HIS A 17 16.294 -5.202 1.879 1.00 0.00 N ATOM 294 CA HIS A 17 17.348 -4.643 1.040 1.00 0.00 C ATOM 295 C HIS A 17 16.853 -3.368 0.362 1.00 0.00 C ATOM 296 O HIS A 17 15.826 -2.818 0.752 1.00 0.00 O ATOM 297 CB HIS A 17 17.794 -5.666 -0.005 1.00 0.00 C ATOM 298 CG HIS A 17 18.937 -6.522 0.445 1.00 0.00 C ATOM 299 ND1 HIS A 17 18.776 -7.812 0.906 1.00 0.00 N ATOM 300 CD2 HIS A 17 20.266 -6.268 0.501 1.00 0.00 C ATOM 301 CE1 HIS A 17 19.955 -8.314 1.228 1.00 0.00 C ATOM 302 NE2 HIS A 17 20.875 -7.398 0.990 1.00 0.00 N ATOM 0 H HIS A 17 15.457 -5.479 1.366 1.00 0.00 H new ATOM 0 HA HIS A 17 18.205 -4.397 1.667 1.00 0.00 H new ATOM 0 HB2 HIS A 17 16.949 -6.306 -0.258 1.00 0.00 H new ATOM 0 HB3 HIS A 17 18.081 -5.141 -0.916 1.00 0.00 H new ATOM 0 HD2 HIS A 17 20.756 -5.349 0.215 1.00 0.00 H new ATOM 0 HE1 HIS A 17 20.135 -9.304 1.619 1.00 0.00 H new ATOM 0 HE2 HIS A 17 21.877 -7.511 1.144 1.00 0.00 H new ATOM 311 N VAL A 18 17.571 -2.902 -0.655 1.00 0.00 N ATOM 312 CA VAL A 18 17.182 -1.680 -1.356 1.00 0.00 C ATOM 313 C VAL A 18 16.220 -1.961 -2.508 1.00 0.00 C ATOM 314 O VAL A 18 16.440 -2.863 -3.317 1.00 0.00 O ATOM 315 CB VAL A 18 18.408 -0.914 -1.893 1.00 0.00 C ATOM 316 CG1 VAL A 18 19.205 -1.781 -2.856 1.00 0.00 C ATOM 317 CG2 VAL A 18 17.974 0.385 -2.562 1.00 0.00 C ATOM 0 H VAL A 18 18.418 -3.346 -1.011 1.00 0.00 H new ATOM 0 HA VAL A 18 16.672 -1.060 -0.619 1.00 0.00 H new ATOM 0 HB VAL A 18 19.054 -0.665 -1.051 1.00 0.00 H new ATOM 0 HG11 VAL A 18 20.065 -1.221 -3.223 1.00 0.00 H new ATOM 0 HG12 VAL A 18 19.549 -2.677 -2.339 1.00 0.00 H new ATOM 0 HG13 VAL A 18 18.573 -2.067 -3.697 1.00 0.00 H new ATOM 0 HG21 VAL A 18 18.852 0.913 -2.935 1.00 0.00 H new ATOM 0 HG22 VAL A 18 17.305 0.161 -3.393 1.00 0.00 H new ATOM 0 HG23 VAL A 18 17.455 1.012 -1.837 1.00 0.00 H new ATOM 327 N GLY A 19 15.150 -1.173 -2.564 1.00 0.00 N ATOM 328 CA GLY A 19 14.152 -1.313 -3.610 1.00 0.00 C ATOM 329 C GLY A 19 13.608 -2.719 -3.741 1.00 0.00 C ATOM 330 O GLY A 19 13.059 -3.074 -4.783 1.00 0.00 O ATOM 0 H GLY A 19 14.955 -0.430 -1.893 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.327 -0.630 -3.408 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.590 -1.011 -4.562 1.00 0.00 H new ATOM 334 N LYS A 20 13.766 -3.525 -2.698 1.00 0.00 N ATOM 335 CA LYS A 20 13.262 -4.889 -2.722 1.00 0.00 C ATOM 336 C LYS A 20 11.745 -4.874 -2.852 1.00 0.00 C ATOM 337 O LYS A 20 11.024 -4.922 -1.855 1.00 0.00 O ATOM 338 CB LYS A 20 13.680 -5.639 -1.457 1.00 0.00 C ATOM 339 CG LYS A 20 14.082 -7.075 -1.711 1.00 0.00 C ATOM 340 CD LYS A 20 15.486 -7.130 -2.269 1.00 0.00 C ATOM 341 CE LYS A 20 16.102 -8.510 -2.114 1.00 0.00 C ATOM 342 NZ LYS A 20 17.486 -8.565 -2.659 1.00 0.00 N ATOM 0 H LYS A 20 14.235 -3.259 -1.832 1.00 0.00 H new ATOM 0 HA LYS A 20 13.688 -5.407 -3.581 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.514 -5.114 -0.992 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.855 -5.622 -0.745 1.00 0.00 H new ATOM 0 HG2 LYS A 20 14.028 -7.645 -0.784 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.386 -7.538 -2.411 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.469 -6.856 -3.324 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.109 -6.395 -1.759 1.00 0.00 H new ATOM 0 HE2 LYS A 20 16.116 -8.785 -1.059 1.00 0.00 H new ATOM 0 HE3 LYS A 20 15.481 -9.244 -2.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 17.871 -9.523 -2.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 17.470 -8.328 -3.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 18.086 -7.882 -2.153 1.00 0.00 H new ATOM 356 N THR A 21 11.273 -4.786 -4.091 1.00 0.00 N ATOM 357 CA THR A 21 9.844 -4.739 -4.371 1.00 0.00 C ATOM 358 C THR A 21 9.098 -5.853 -3.650 1.00 0.00 C ATOM 359 O THR A 21 9.039 -6.987 -4.127 1.00 0.00 O ATOM 360 CB THR A 21 9.560 -4.840 -5.880 1.00 0.00 C ATOM 361 OG1 THR A 21 10.461 -3.994 -6.606 1.00 0.00 O ATOM 362 CG2 THR A 21 8.126 -4.437 -6.184 1.00 0.00 C ATOM 0 H THR A 21 11.864 -4.746 -4.921 1.00 0.00 H new ATOM 0 HA THR A 21 9.488 -3.776 -4.005 1.00 0.00 H new ATOM 0 HB THR A 21 9.706 -5.875 -6.188 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.275 -4.065 -7.566 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.946 -4.515 -7.256 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.442 -5.098 -5.652 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.961 -3.409 -5.862 1.00 0.00 H new ATOM 370 N THR A 22 8.533 -5.521 -2.496 1.00 0.00 N ATOM 371 CA THR A 22 7.782 -6.485 -1.708 1.00 0.00 C ATOM 372 C THR A 22 6.299 -6.391 -2.025 1.00 0.00 C ATOM 373 O THR A 22 5.597 -5.501 -1.541 1.00 0.00 O ATOM 374 CB THR A 22 8.010 -6.279 -0.196 1.00 0.00 C ATOM 375 OG1 THR A 22 9.373 -6.570 0.137 1.00 0.00 O ATOM 376 CG2 THR A 22 7.085 -7.161 0.630 1.00 0.00 C ATOM 0 H THR A 22 8.582 -4.588 -2.086 1.00 0.00 H new ATOM 0 HA THR A 22 8.143 -7.479 -1.974 1.00 0.00 H new ATOM 0 HB THR A 22 7.788 -5.238 0.037 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.969 -6.076 -0.464 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.272 -6.991 1.690 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.048 -6.916 0.400 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.272 -8.208 0.392 1.00 0.00 H new ATOM 384 N GLU A 23 5.840 -7.309 -2.866 1.00 0.00 N ATOM 385 CA GLU A 23 4.452 -7.365 -3.274 1.00 0.00 C ATOM 386 C GLU A 23 3.588 -7.950 -2.171 1.00 0.00 C ATOM 387 O GLU A 23 3.923 -8.980 -1.584 1.00 0.00 O ATOM 388 CB GLU A 23 4.336 -8.207 -4.537 1.00 0.00 C ATOM 389 CG GLU A 23 2.960 -8.165 -5.162 1.00 0.00 C ATOM 390 CD GLU A 23 2.949 -8.700 -6.581 1.00 0.00 C ATOM 391 OE1 GLU A 23 3.172 -9.916 -6.760 1.00 0.00 O ATOM 392 OE2 GLU A 23 2.720 -7.902 -7.515 1.00 0.00 O ATOM 0 H GLU A 23 6.424 -8.034 -3.282 1.00 0.00 H new ATOM 0 HA GLU A 23 4.100 -6.353 -3.475 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.069 -7.859 -5.265 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.588 -9.241 -4.300 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.270 -8.748 -4.552 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.596 -7.138 -5.162 1.00 0.00 H new ATOM 399 N ILE A 24 2.475 -7.288 -1.893 1.00 0.00 N ATOM 400 CA ILE A 24 1.571 -7.737 -0.849 1.00 0.00 C ATOM 401 C ILE A 24 0.123 -7.743 -1.310 1.00 0.00 C ATOM 402 O ILE A 24 -0.534 -6.703 -1.340 1.00 0.00 O ATOM 403 CB ILE A 24 1.677 -6.836 0.386 1.00 0.00 C ATOM 404 CG1 ILE A 24 3.142 -6.632 0.775 1.00 0.00 C ATOM 405 CG2 ILE A 24 0.884 -7.429 1.542 1.00 0.00 C ATOM 406 CD1 ILE A 24 3.341 -5.643 1.901 1.00 0.00 C ATOM 0 H ILE A 24 2.178 -6.440 -2.376 1.00 0.00 H new ATOM 0 HA ILE A 24 1.869 -8.756 -0.602 1.00 0.00 H new ATOM 0 HB ILE A 24 1.252 -5.861 0.146 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.568 -7.592 1.067 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.696 -6.290 -0.099 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.968 -6.779 2.413 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.164 -7.519 1.256 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.279 -8.415 1.786 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.405 -5.551 2.121 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.946 -4.671 1.606 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.816 -5.993 2.790 1.00 0.00 H new ATOM 418 N HIS A 25 -0.367 -8.918 -1.678 1.00 0.00 N ATOM 419 CA HIS A 25 -1.749 -9.066 -2.098 1.00 0.00 C ATOM 420 C HIS A 25 -2.634 -9.235 -0.872 1.00 0.00 C ATOM 421 O HIS A 25 -2.747 -10.330 -0.321 1.00 0.00 O ATOM 422 CB HIS A 25 -1.916 -10.276 -3.012 1.00 0.00 C ATOM 423 CG HIS A 25 -0.778 -10.489 -3.959 1.00 0.00 C ATOM 424 ND1 HIS A 25 -0.052 -11.659 -4.012 1.00 0.00 N ATOM 425 CD2 HIS A 25 -0.253 -9.680 -4.909 1.00 0.00 C ATOM 426 CE1 HIS A 25 0.869 -11.561 -4.953 1.00 0.00 C ATOM 427 NE2 HIS A 25 0.768 -10.370 -5.514 1.00 0.00 N ATOM 0 H HIS A 25 0.174 -9.782 -1.694 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.039 -8.172 -2.650 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.035 -11.168 -2.397 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -2.835 -10.160 -3.586 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -0.203 -12.474 -3.417 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.577 -8.678 -5.147 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.584 -12.326 -5.219 1.00 0.00 H new ATOM 436 N LEU A 26 -3.253 -8.147 -0.444 1.00 0.00 N ATOM 437 CA LEU A 26 -4.111 -8.176 0.731 1.00 0.00 C ATOM 438 C LEU A 26 -5.556 -8.416 0.331 1.00 0.00 C ATOM 439 O LEU A 26 -5.990 -7.994 -0.736 1.00 0.00 O ATOM 440 CB LEU A 26 -4.004 -6.861 1.500 1.00 0.00 C ATOM 441 CG LEU A 26 -2.596 -6.491 1.972 1.00 0.00 C ATOM 442 CD1 LEU A 26 -2.546 -5.032 2.403 1.00 0.00 C ATOM 443 CD2 LEU A 26 -2.157 -7.398 3.113 1.00 0.00 C ATOM 0 H LEU A 26 -3.178 -7.233 -0.891 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.781 -8.993 1.372 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.380 -6.057 0.867 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.659 -6.914 2.370 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.907 -6.630 1.139 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.538 -4.785 2.736 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.816 -4.394 1.561 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.248 -4.870 3.221 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.154 -7.119 3.434 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.848 -7.292 3.949 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.154 -8.434 2.774 1.00 0.00 H new ATOM 455 N LYS A 27 -6.299 -9.084 1.194 1.00 0.00 N ATOM 456 CA LYS A 27 -7.698 -9.374 0.917 1.00 0.00 C ATOM 457 C LYS A 27 -8.600 -8.420 1.684 1.00 0.00 C ATOM 458 O LYS A 27 -8.172 -7.780 2.645 1.00 0.00 O ATOM 459 CB LYS A 27 -8.032 -10.819 1.275 1.00 0.00 C ATOM 460 CG LYS A 27 -6.973 -11.813 0.820 1.00 0.00 C ATOM 461 CD LYS A 27 -7.429 -13.251 1.017 1.00 0.00 C ATOM 462 CE LYS A 27 -8.595 -13.600 0.105 1.00 0.00 C ATOM 463 NZ LYS A 27 -9.047 -15.007 0.294 1.00 0.00 N ATOM 0 H LYS A 27 -5.961 -9.436 2.090 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.869 -9.236 -0.151 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.155 -10.899 2.355 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.988 -11.086 0.825 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.744 -11.645 -0.232 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.052 -11.644 1.377 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.597 -13.927 0.819 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.722 -13.401 2.056 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.426 -12.922 0.302 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.301 -13.450 -0.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.843 -15.205 -0.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.262 -15.655 0.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.352 -15.144 1.279 1.00 0.00 H new ATOM 477 N GLY A 28 -9.849 -8.331 1.254 1.00 0.00 N ATOM 478 CA GLY A 28 -10.793 -7.442 1.901 1.00 0.00 C ATOM 479 C GLY A 28 -12.119 -7.378 1.172 1.00 0.00 C ATOM 480 O GLY A 28 -12.586 -8.380 0.628 1.00 0.00 O ATOM 0 H GLY A 28 -10.227 -8.859 0.467 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -10.960 -7.777 2.925 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.365 -6.441 1.959 1.00 0.00 H new ATOM 484 N ASN A 29 -12.726 -6.194 1.158 1.00 0.00 N ATOM 485 CA ASN A 29 -14.005 -5.996 0.488 1.00 0.00 C ATOM 486 C ASN A 29 -14.403 -4.520 0.502 1.00 0.00 C ATOM 487 O ASN A 29 -14.979 -4.039 1.476 1.00 0.00 O ATOM 488 CB ASN A 29 -15.095 -6.835 1.161 1.00 0.00 C ATOM 489 CG ASN A 29 -16.442 -6.691 0.478 1.00 0.00 C ATOM 490 OD1 ASN A 29 -16.518 -6.437 -0.724 1.00 0.00 O ATOM 491 ND2 ASN A 29 -17.514 -6.856 1.245 1.00 0.00 N ATOM 0 H ASN A 29 -12.351 -5.357 1.604 1.00 0.00 H new ATOM 0 HA ASN A 29 -13.897 -6.317 -0.548 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -14.798 -7.884 1.155 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -15.187 -6.536 2.205 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -18.447 -6.773 0.842 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -17.404 -7.066 2.237 1.00 0.00 H new ATOM 547 N TYR A 34 -14.268 0.073 4.649 1.00 0.00 N ATOM 548 CA TYR A 34 -12.868 0.358 4.939 1.00 0.00 C ATOM 549 C TYR A 34 -11.995 0.142 3.705 1.00 0.00 C ATOM 550 O TYR A 34 -12.494 -0.159 2.621 1.00 0.00 O ATOM 551 CB TYR A 34 -12.367 -0.517 6.092 1.00 0.00 C ATOM 552 CG TYR A 34 -12.995 -0.188 7.429 1.00 0.00 C ATOM 553 CD1 TYR A 34 -14.290 -0.591 7.725 1.00 0.00 C ATOM 554 CD2 TYR A 34 -12.291 0.524 8.399 1.00 0.00 C ATOM 555 CE1 TYR A 34 -14.870 -0.297 8.945 1.00 0.00 C ATOM 556 CE2 TYR A 34 -12.866 0.821 9.620 1.00 0.00 C ATOM 557 CZ TYR A 34 -14.155 0.410 9.888 1.00 0.00 C ATOM 558 OH TYR A 34 -14.728 0.703 11.103 1.00 0.00 O ATOM 0 HA TYR A 34 -12.797 1.405 5.232 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -12.567 -1.562 5.855 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -11.285 -0.409 6.173 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.855 -1.144 6.989 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.282 0.848 8.193 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -15.878 -0.620 9.158 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.308 1.373 10.362 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.033 0.985 11.733 1.00 0.00 H new ATOM 568 N MET A 35 -10.690 0.302 3.887 1.00 0.00 N ATOM 569 CA MET A 35 -9.728 0.149 2.821 1.00 0.00 C ATOM 570 C MET A 35 -8.389 -0.288 3.388 1.00 0.00 C ATOM 571 O MET A 35 -8.061 0.017 4.532 1.00 0.00 O ATOM 572 CB MET A 35 -9.546 1.481 2.096 1.00 0.00 C ATOM 573 CG MET A 35 -8.157 1.659 1.514 1.00 0.00 C ATOM 574 SD MET A 35 -7.896 3.289 0.786 1.00 0.00 S ATOM 575 CE MET A 35 -9.116 3.283 -0.526 1.00 0.00 C ATOM 0 H MET A 35 -10.274 0.543 4.787 1.00 0.00 H new ATOM 0 HA MET A 35 -10.094 -0.605 2.125 1.00 0.00 H new ATOM 0 HB2 MET A 35 -10.281 1.554 1.294 1.00 0.00 H new ATOM 0 HB3 MET A 35 -9.749 2.296 2.791 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.418 1.496 2.298 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.988 0.897 0.753 1.00 0.00 H new ATOM 0 HE1 MET A 35 -9.525 4.286 -0.647 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.647 2.967 -1.458 1.00 0.00 H new ATOM 0 HE3 MET A 35 -9.920 2.592 -0.272 1.00 0.00 H new ATOM 585 N TRP A 36 -7.617 -0.988 2.579 1.00 0.00 N ATOM 586 CA TRP A 36 -6.302 -1.433 2.992 1.00 0.00 C ATOM 587 C TRP A 36 -5.235 -0.614 2.280 1.00 0.00 C ATOM 588 O TRP A 36 -4.725 -1.013 1.233 1.00 0.00 O ATOM 589 CB TRP A 36 -6.113 -2.911 2.690 1.00 0.00 C ATOM 590 CG TRP A 36 -6.311 -3.794 3.881 1.00 0.00 C ATOM 591 CD1 TRP A 36 -7.243 -4.779 4.029 1.00 0.00 C ATOM 592 CD2 TRP A 36 -5.560 -3.764 5.096 1.00 0.00 C ATOM 593 NE1 TRP A 36 -7.118 -5.363 5.266 1.00 0.00 N ATOM 594 CE2 TRP A 36 -6.090 -4.758 5.939 1.00 0.00 C ATOM 595 CE3 TRP A 36 -4.489 -2.992 5.551 1.00 0.00 C ATOM 596 CZ2 TRP A 36 -5.585 -4.998 7.213 1.00 0.00 C ATOM 597 CZ3 TRP A 36 -3.989 -3.232 6.812 1.00 0.00 C ATOM 598 CH2 TRP A 36 -4.535 -4.227 7.632 1.00 0.00 C ATOM 0 H TRP A 36 -7.879 -1.260 1.632 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.209 -1.290 4.068 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.813 -3.206 1.908 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -5.109 -3.067 2.295 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -7.972 -5.059 3.283 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.696 -6.123 5.625 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.061 -2.222 4.926 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -6.006 -5.764 7.847 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.161 -2.642 7.175 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -4.119 -4.389 8.615 1.00 0.00 H new ATOM 609 N THR A 37 -4.912 0.537 2.852 1.00 0.00 N ATOM 610 CA THR A 37 -3.919 1.427 2.264 1.00 0.00 C ATOM 611 C THR A 37 -2.893 1.846 3.318 1.00 0.00 C ATOM 612 O THR A 37 -2.802 1.216 4.371 1.00 0.00 O ATOM 613 CB THR A 37 -4.596 2.671 1.661 1.00 0.00 C ATOM 614 OG1 THR A 37 -3.644 3.447 0.925 1.00 0.00 O ATOM 615 CG2 THR A 37 -5.214 3.521 2.756 1.00 0.00 C ATOM 0 H THR A 37 -5.322 0.877 3.722 1.00 0.00 H new ATOM 0 HA THR A 37 -3.406 0.890 1.466 1.00 0.00 H new ATOM 0 HB THR A 37 -5.384 2.339 0.984 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.087 4.234 0.545 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.689 4.397 2.313 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.961 2.936 3.293 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.437 3.842 3.450 1.00 0.00 H new ATOM 623 N ARG A 38 -2.122 2.902 3.051 1.00 0.00 N ATOM 624 CA ARG A 38 -1.118 3.353 4.005 1.00 0.00 C ATOM 625 C ARG A 38 -1.690 4.404 4.957 1.00 0.00 C ATOM 626 O ARG A 38 -2.450 5.282 4.548 1.00 0.00 O ATOM 627 CB ARG A 38 0.120 3.889 3.279 1.00 0.00 C ATOM 628 CG ARG A 38 1.183 2.842 3.035 1.00 0.00 C ATOM 629 CD ARG A 38 2.261 3.350 2.094 1.00 0.00 C ATOM 630 NE ARG A 38 2.634 4.741 2.333 1.00 0.00 N ATOM 631 CZ ARG A 38 3.868 5.120 2.659 1.00 0.00 C ATOM 632 NH1 ARG A 38 4.817 4.213 2.845 1.00 0.00 N ATOM 633 NH2 ARG A 38 4.156 6.405 2.800 1.00 0.00 N ATOM 0 H ARG A 38 -2.175 3.452 2.193 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.816 2.493 4.603 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.186 4.313 2.323 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.550 4.701 3.865 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.634 2.553 3.984 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.724 1.947 2.614 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.146 2.722 2.196 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.913 3.247 1.066 1.00 0.00 H new ATOM 0 HE ARG A 38 1.914 5.458 2.246 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.603 3.221 2.738 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.761 4.507 3.095 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.431 7.109 2.659 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.103 6.691 3.050 1.00 0.00 H new ATOM 647 N VAL A 39 -1.313 4.299 6.232 1.00 0.00 N ATOM 648 CA VAL A 39 -1.789 5.213 7.268 1.00 0.00 C ATOM 649 C VAL A 39 -1.540 6.674 6.902 1.00 0.00 C ATOM 650 O VAL A 39 -0.445 7.040 6.478 1.00 0.00 O ATOM 651 CB VAL A 39 -1.109 4.925 8.624 1.00 0.00 C ATOM 652 CG1 VAL A 39 -1.728 5.774 9.723 1.00 0.00 C ATOM 653 CG2 VAL A 39 -1.192 3.446 8.971 1.00 0.00 C ATOM 0 H VAL A 39 -0.673 3.582 6.573 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.863 5.045 7.349 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.055 5.190 8.539 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.236 5.557 10.671 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.602 6.830 9.482 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.790 5.545 9.805 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.706 3.270 9.930 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.238 3.145 9.033 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.692 2.862 8.198 1.00 0.00 H new ATOM 663 N GLY A 40 -2.565 7.504 7.083 1.00 0.00 N ATOM 664 CA GLY A 40 -2.445 8.920 6.777 1.00 0.00 C ATOM 665 C GLY A 40 -2.549 9.206 5.292 1.00 0.00 C ATOM 666 O GLY A 40 -3.155 10.196 4.882 1.00 0.00 O ATOM 0 H GLY A 40 -3.479 7.220 7.437 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.225 9.469 7.305 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.489 9.288 7.148 1.00 0.00 H new ATOM 670 N PHE A 41 -1.954 8.334 4.488 1.00 0.00 N ATOM 671 CA PHE A 41 -1.973 8.484 3.040 1.00 0.00 C ATOM 672 C PHE A 41 -3.272 7.949 2.464 1.00 0.00 C ATOM 673 O PHE A 41 -3.465 7.920 1.250 1.00 0.00 O ATOM 674 CB PHE A 41 -0.782 7.747 2.440 1.00 0.00 C ATOM 675 CG PHE A 41 0.510 8.145 3.086 1.00 0.00 C ATOM 676 CD1 PHE A 41 1.103 9.359 2.787 1.00 0.00 C ATOM 677 CD2 PHE A 41 1.113 7.313 4.007 1.00 0.00 C ATOM 678 CE1 PHE A 41 2.285 9.734 3.397 1.00 0.00 C ATOM 679 CE2 PHE A 41 2.293 7.681 4.626 1.00 0.00 C ATOM 680 CZ PHE A 41 2.881 8.894 4.319 1.00 0.00 C ATOM 0 H PHE A 41 -1.450 7.511 4.818 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.904 9.543 2.790 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -0.927 6.673 2.552 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.731 7.952 1.371 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.638 10.020 2.070 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.658 6.363 4.247 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.742 10.682 3.154 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.754 7.023 5.347 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.804 9.185 4.799 1.00 0.00 H new ATOM 690 N VAL A 42 -4.152 7.521 3.356 1.00 0.00 N ATOM 691 CA VAL A 42 -5.448 6.987 2.963 1.00 0.00 C ATOM 692 C VAL A 42 -6.194 7.960 2.056 1.00 0.00 C ATOM 693 O VAL A 42 -6.641 9.019 2.495 1.00 0.00 O ATOM 694 CB VAL A 42 -6.313 6.675 4.198 1.00 0.00 C ATOM 695 CG1 VAL A 42 -7.575 5.933 3.789 1.00 0.00 C ATOM 696 CG2 VAL A 42 -5.507 5.883 5.216 1.00 0.00 C ATOM 0 H VAL A 42 -3.991 7.533 4.363 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.263 6.064 2.414 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.617 7.612 4.665 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -8.175 5.720 4.674 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.152 6.549 3.099 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.305 4.997 3.300 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.129 5.668 6.085 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.174 4.947 4.768 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.639 6.466 5.526 1.00 0.00 H new ATOM 706 N GLY A 43 -6.321 7.590 0.785 1.00 0.00 N ATOM 707 CA GLY A 43 -7.007 8.437 -0.175 1.00 0.00 C ATOM 708 C GLY A 43 -6.107 8.850 -1.322 1.00 0.00 C ATOM 709 O GLY A 43 -6.580 9.331 -2.351 1.00 0.00 O ATOM 0 H GLY A 43 -5.960 6.716 0.402 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.874 7.908 -0.569 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.380 9.328 0.331 1.00 0.00 H new ATOM 763 N LEU A 47 0.940 6.784 -1.929 1.00 0.00 N ATOM 764 CA LEU A 47 1.035 6.698 -0.477 1.00 0.00 C ATOM 765 C LEU A 47 2.462 6.995 -0.015 1.00 0.00 C ATOM 766 O LEU A 47 2.673 7.742 0.936 1.00 0.00 O ATOM 767 CB LEU A 47 0.591 5.325 0.024 1.00 0.00 C ATOM 768 CG LEU A 47 -0.644 4.730 -0.663 1.00 0.00 C ATOM 769 CD1 LEU A 47 -0.864 3.292 -0.212 1.00 0.00 C ATOM 770 CD2 LEU A 47 -1.878 5.575 -0.383 1.00 0.00 C ATOM 0 HA LEU A 47 0.366 7.446 -0.053 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.421 4.629 -0.097 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.389 5.397 1.093 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.470 4.731 -1.739 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.745 2.885 -0.709 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.008 2.692 -0.471 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.014 3.268 0.867 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.742 5.134 -0.880 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.058 5.612 0.691 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.720 6.586 -0.759 1.00 0.00 H new ATOM 782 N SER A 48 3.438 6.404 -0.702 1.00 0.00 N ATOM 783 CA SER A 48 4.850 6.608 -0.379 1.00 0.00 C ATOM 784 C SER A 48 5.240 8.084 -0.477 1.00 0.00 C ATOM 785 O SER A 48 4.392 8.947 -0.704 1.00 0.00 O ATOM 786 CB SER A 48 5.725 5.783 -1.322 1.00 0.00 C ATOM 787 OG SER A 48 7.100 6.003 -1.069 1.00 0.00 O ATOM 0 H SER A 48 3.276 5.777 -1.490 1.00 0.00 H new ATOM 0 HA SER A 48 5.007 6.282 0.649 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.495 4.724 -1.202 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.497 6.044 -2.355 1.00 0.00 H new ATOM 0 HG SER A 48 7.351 5.570 -0.226 1.00 0.00 H new ATOM 793 N ASP A 49 6.532 8.364 -0.311 1.00 0.00 N ATOM 794 CA ASP A 49 7.036 9.731 -0.382 1.00 0.00 C ATOM 795 C ASP A 49 8.455 9.772 -0.936 1.00 0.00 C ATOM 796 O ASP A 49 8.660 9.997 -2.129 1.00 0.00 O ATOM 797 CB ASP A 49 7.008 10.386 1.000 1.00 0.00 C ATOM 798 CG ASP A 49 5.599 10.645 1.493 1.00 0.00 C ATOM 799 OD1 ASP A 49 5.023 9.746 2.137 1.00 0.00 O ATOM 800 OD2 ASP A 49 5.073 11.748 1.233 1.00 0.00 O ATOM 0 H ASP A 49 7.247 7.661 -0.126 1.00 0.00 H new ATOM 0 HA ASP A 49 6.384 10.285 -1.058 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.526 9.744 1.713 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.555 11.328 0.963 1.00 0.00 H new ATOM 805 N GLU A 50 9.430 9.552 -0.060 1.00 0.00 N ATOM 806 CA GLU A 50 10.831 9.581 -0.451 1.00 0.00 C ATOM 807 C GLU A 50 11.615 8.430 0.179 1.00 0.00 C ATOM 808 O GLU A 50 12.604 7.960 -0.386 1.00 0.00 O ATOM 809 CB GLU A 50 11.433 10.916 -0.025 1.00 0.00 C ATOM 810 CG GLU A 50 11.511 11.091 1.484 1.00 0.00 C ATOM 811 CD GLU A 50 12.059 12.445 1.887 1.00 0.00 C ATOM 812 OE1 GLU A 50 11.256 13.390 2.038 1.00 0.00 O ATOM 813 OE2 GLU A 50 13.292 12.562 2.052 1.00 0.00 O ATOM 0 H GLU A 50 9.273 9.351 0.928 1.00 0.00 H new ATOM 0 HA GLU A 50 10.893 9.466 -1.533 1.00 0.00 H new ATOM 0 HB2 GLU A 50 12.435 11.005 -0.446 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.837 11.726 -0.447 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.517 10.964 1.912 1.00 0.00 H new ATOM 0 HG3 GLU A 50 12.142 10.308 1.905 1.00 0.00 H new ATOM 820 N ILE A 51 11.168 7.984 1.347 1.00 0.00 N ATOM 821 CA ILE A 51 11.832 6.901 2.061 1.00 0.00 C ATOM 822 C ILE A 51 11.529 5.549 1.438 1.00 0.00 C ATOM 823 O ILE A 51 12.287 5.051 0.610 1.00 0.00 O ATOM 824 CB ILE A 51 11.399 6.874 3.535 1.00 0.00 C ATOM 825 CG1 ILE A 51 11.524 8.267 4.144 1.00 0.00 C ATOM 826 CG2 ILE A 51 12.221 5.863 4.320 1.00 0.00 C ATOM 827 CD1 ILE A 51 12.955 8.739 4.304 1.00 0.00 C ATOM 0 H ILE A 51 10.346 8.357 1.821 1.00 0.00 H new ATOM 0 HA ILE A 51 12.904 7.089 1.993 1.00 0.00 H new ATOM 0 HB ILE A 51 10.355 6.567 3.586 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.985 8.977 3.517 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.039 8.271 5.120 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.898 5.861 5.361 1.00 0.00 H new ATOM 0 HG22 ILE A 51 12.080 4.870 3.894 1.00 0.00 H new ATOM 0 HG23 ILE A 51 13.276 6.133 4.268 1.00 0.00 H new ATOM 0 HD11 ILE A 51 12.962 9.737 4.743 1.00 0.00 H new ATOM 0 HD12 ILE A 51 13.494 8.052 4.956 1.00 0.00 H new ATOM 0 HD13 ILE A 51 13.440 8.768 3.328 1.00 0.00 H new ATOM 839 N LEU A 52 10.428 4.951 1.858 1.00 0.00 N ATOM 840 CA LEU A 52 10.025 3.653 1.344 1.00 0.00 C ATOM 841 C LEU A 52 9.014 3.791 0.215 1.00 0.00 C ATOM 842 O LEU A 52 7.850 4.106 0.457 1.00 0.00 O ATOM 843 CB LEU A 52 9.418 2.813 2.465 1.00 0.00 C ATOM 844 CG LEU A 52 9.969 1.395 2.570 1.00 0.00 C ATOM 845 CD1 LEU A 52 9.298 0.647 3.710 1.00 0.00 C ATOM 846 CD2 LEU A 52 9.782 0.655 1.256 1.00 0.00 C ATOM 0 H LEU A 52 9.796 5.344 2.555 1.00 0.00 H new ATOM 0 HA LEU A 52 10.915 3.161 0.951 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.584 3.324 3.414 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.340 2.759 2.317 1.00 0.00 H new ATOM 0 HG LEU A 52 11.037 1.452 2.781 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.703 -0.363 3.771 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.485 1.170 4.648 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.224 0.597 3.530 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.180 -0.355 1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.720 0.606 1.014 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.311 1.183 0.463 1.00 0.00 H new ATOM 858 N GLU A 53 9.457 3.555 -1.019 1.00 0.00 N ATOM 859 CA GLU A 53 8.559 3.637 -2.163 1.00 0.00 C ATOM 860 C GLU A 53 7.406 2.666 -1.964 1.00 0.00 C ATOM 861 O GLU A 53 7.582 1.603 -1.372 1.00 0.00 O ATOM 862 CB GLU A 53 9.293 3.309 -3.464 1.00 0.00 C ATOM 863 CG GLU A 53 8.793 4.102 -4.659 1.00 0.00 C ATOM 864 CD GLU A 53 7.302 3.955 -4.881 1.00 0.00 C ATOM 865 OE1 GLU A 53 6.849 2.817 -5.120 1.00 0.00 O ATOM 866 OE2 GLU A 53 6.588 4.976 -4.812 1.00 0.00 O ATOM 0 H GLU A 53 10.420 3.309 -1.248 1.00 0.00 H new ATOM 0 HA GLU A 53 8.180 4.656 -2.236 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.357 3.502 -3.330 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.186 2.245 -3.674 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.032 5.156 -4.515 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.323 3.774 -5.554 1.00 0.00 H new ATOM 873 N VAL A 54 6.227 3.029 -2.448 1.00 0.00 N ATOM 874 CA VAL A 54 5.062 2.171 -2.295 1.00 0.00 C ATOM 875 C VAL A 54 4.128 2.256 -3.492 1.00 0.00 C ATOM 876 O VAL A 54 3.238 3.103 -3.534 1.00 0.00 O ATOM 877 CB VAL A 54 4.258 2.518 -1.026 1.00 0.00 C ATOM 878 CG1 VAL A 54 3.098 1.552 -0.850 1.00 0.00 C ATOM 879 CG2 VAL A 54 5.156 2.509 0.203 1.00 0.00 C ATOM 0 H VAL A 54 6.053 3.903 -2.945 1.00 0.00 H new ATOM 0 HA VAL A 54 5.452 1.156 -2.214 1.00 0.00 H new ATOM 0 HB VAL A 54 3.854 3.524 -1.142 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.542 1.812 0.051 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.438 1.615 -1.715 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.481 0.536 -0.759 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.567 2.757 1.086 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.595 1.519 0.326 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.950 3.245 0.079 1.00 0.00 H new ATOM 889 N VAL A 55 4.336 1.387 -4.473 1.00 0.00 N ATOM 890 CA VAL A 55 3.471 1.366 -5.637 1.00 0.00 C ATOM 891 C VAL A 55 2.163 0.681 -5.281 1.00 0.00 C ATOM 892 O VAL A 55 1.999 -0.524 -5.483 1.00 0.00 O ATOM 893 CB VAL A 55 4.103 0.637 -6.829 1.00 0.00 C ATOM 894 CG1 VAL A 55 3.223 0.788 -8.058 1.00 0.00 C ATOM 895 CG2 VAL A 55 5.507 1.153 -7.097 1.00 0.00 C ATOM 0 H VAL A 55 5.087 0.697 -4.484 1.00 0.00 H new ATOM 0 HA VAL A 55 3.304 2.402 -5.932 1.00 0.00 H new ATOM 0 HB VAL A 55 4.181 -0.423 -6.588 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.680 0.267 -8.899 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.241 0.360 -7.857 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.116 1.845 -8.301 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.934 0.621 -7.947 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.466 2.219 -7.320 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.129 0.990 -6.217 1.00 0.00 H new ATOM 905 N CYS A 56 1.246 1.456 -4.734 1.00 0.00 N ATOM 906 CA CYS A 56 -0.049 0.937 -4.322 1.00 0.00 C ATOM 907 C CYS A 56 -0.941 0.692 -5.528 1.00 0.00 C ATOM 908 O CYS A 56 -1.109 1.563 -6.381 1.00 0.00 O ATOM 909 CB CYS A 56 -0.729 1.904 -3.354 1.00 0.00 C ATOM 910 SG CYS A 56 -2.359 1.360 -2.792 1.00 0.00 S ATOM 0 H CYS A 56 1.373 2.453 -4.563 1.00 0.00 H new ATOM 0 HA CYS A 56 0.114 -0.013 -3.814 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -0.085 2.045 -2.486 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.829 2.876 -3.838 1.00 0.00 H new ATOM 0 HG CYS A 56 -3.025 2.381 -2.339 1.00 0.00 H new ATOM 916 N LYS A 57 -1.510 -0.502 -5.587 1.00 0.00 N ATOM 917 CA LYS A 57 -2.382 -0.877 -6.682 1.00 0.00 C ATOM 918 C LYS A 57 -3.677 -1.473 -6.157 1.00 0.00 C ATOM 919 O LYS A 57 -3.932 -2.671 -6.293 1.00 0.00 O ATOM 920 CB LYS A 57 -1.686 -1.881 -7.582 1.00 0.00 C ATOM 921 CG LYS A 57 -0.328 -1.415 -8.084 1.00 0.00 C ATOM 922 CD LYS A 57 0.321 -2.448 -8.992 1.00 0.00 C ATOM 923 CE LYS A 57 -0.455 -2.623 -10.289 1.00 0.00 C ATOM 924 NZ LYS A 57 0.180 -3.629 -11.185 1.00 0.00 N ATOM 0 H LYS A 57 -1.381 -1.229 -4.884 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.617 0.020 -7.255 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.560 -2.817 -7.038 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.327 -2.093 -8.438 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.443 -0.476 -8.625 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.325 -1.216 -7.234 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.343 -2.144 -9.218 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.381 -3.404 -8.472 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.476 -2.932 -10.063 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.519 -1.665 -10.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.379 -3.719 -12.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.145 -3.323 -11.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.218 -4.549 -10.702 1.00 0.00 H new ATOM 938 N TYR A 58 -4.473 -0.627 -5.534 1.00 0.00 N ATOM 939 CA TYR A 58 -5.758 -1.040 -4.994 1.00 0.00 C ATOM 940 C TYR A 58 -6.680 -1.448 -6.139 1.00 0.00 C ATOM 941 O TYR A 58 -7.214 -0.598 -6.851 1.00 0.00 O ATOM 942 CB TYR A 58 -6.382 0.103 -4.174 1.00 0.00 C ATOM 943 CG TYR A 58 -7.621 -0.271 -3.381 1.00 0.00 C ATOM 944 CD1 TYR A 58 -8.570 -1.164 -3.882 1.00 0.00 C ATOM 945 CD2 TYR A 58 -7.851 0.290 -2.129 1.00 0.00 C ATOM 946 CE1 TYR A 58 -9.701 -1.489 -3.163 1.00 0.00 C ATOM 947 CE2 TYR A 58 -8.986 -0.027 -1.406 1.00 0.00 C ATOM 948 CZ TYR A 58 -9.905 -0.917 -1.926 1.00 0.00 C ATOM 949 OH TYR A 58 -11.033 -1.228 -1.203 1.00 0.00 O ATOM 0 H TYR A 58 -4.252 0.358 -5.387 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.616 -1.894 -4.332 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -5.630 0.486 -3.484 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -6.636 0.918 -4.852 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.415 -1.610 -4.853 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.133 0.983 -1.716 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.421 -2.186 -3.566 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.153 0.420 -0.437 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.022 -0.740 -0.353 1.00 0.00 H new ATOM 959 N THR A 59 -6.857 -2.753 -6.311 1.00 0.00 N ATOM 960 CA THR A 59 -7.708 -3.276 -7.373 1.00 0.00 C ATOM 961 C THR A 59 -9.028 -3.796 -6.815 1.00 0.00 C ATOM 962 O THR A 59 -9.049 -4.770 -6.066 1.00 0.00 O ATOM 963 CB THR A 59 -7.011 -4.416 -8.137 1.00 0.00 C ATOM 964 OG1 THR A 59 -5.700 -4.004 -8.546 1.00 0.00 O ATOM 965 CG2 THR A 59 -7.820 -4.824 -9.359 1.00 0.00 C ATOM 0 H THR A 59 -6.422 -3.468 -5.728 1.00 0.00 H new ATOM 0 HA THR A 59 -7.903 -2.450 -8.057 1.00 0.00 H new ATOM 0 HB THR A 59 -6.932 -5.273 -7.469 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.263 -4.736 -9.030 1.00 0.00 H new ATOM 0 HG21 THR A 59 -7.307 -5.631 -9.882 1.00 0.00 H new ATOM 0 HG22 THR A 59 -8.807 -5.165 -9.045 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.927 -3.969 -10.027 1.00 0.00 H new ATOM 973 N PRO A 60 -10.149 -3.149 -7.170 1.00 0.00 N ATOM 974 CA PRO A 60 -11.470 -3.540 -6.719 1.00 0.00 C ATOM 975 C PRO A 60 -12.198 -4.388 -7.757 1.00 0.00 C ATOM 976 O PRO A 60 -13.391 -4.205 -7.994 1.00 0.00 O ATOM 977 CB PRO A 60 -12.143 -2.183 -6.565 1.00 0.00 C ATOM 978 CG PRO A 60 -11.557 -1.346 -7.660 1.00 0.00 C ATOM 979 CD PRO A 60 -10.230 -1.962 -8.033 1.00 0.00 C ATOM 0 HA PRO A 60 -11.462 -4.153 -5.817 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -13.226 -2.264 -6.663 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -11.943 -1.750 -5.585 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -12.224 -1.318 -8.522 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -11.423 -0.317 -7.327 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.194 -2.230 -9.089 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.403 -1.276 -7.850 1.00 0.00 H new ATOM 1135 N ILE A 73 -8.542 -6.756 -4.352 1.00 0.00 N ATOM 1136 CA ILE A 73 -7.525 -6.816 -3.315 1.00 0.00 C ATOM 1137 C ILE A 73 -6.726 -5.523 -3.269 1.00 0.00 C ATOM 1138 O ILE A 73 -7.133 -4.505 -3.830 1.00 0.00 O ATOM 1139 CB ILE A 73 -6.542 -7.986 -3.521 1.00 0.00 C ATOM 1140 CG1 ILE A 73 -5.899 -7.931 -4.904 1.00 0.00 C ATOM 1141 CG2 ILE A 73 -7.221 -9.324 -3.294 1.00 0.00 C ATOM 1142 CD1 ILE A 73 -4.550 -8.614 -4.943 1.00 0.00 C ATOM 0 HA ILE A 73 -8.058 -6.969 -2.376 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.751 -7.882 -2.778 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.563 -8.403 -5.629 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.785 -6.890 -5.207 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.501 -10.128 -3.447 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.604 -9.369 -2.275 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -8.046 -9.437 -3.997 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.137 -8.546 -5.949 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.875 -8.126 -4.240 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.665 -9.662 -4.668 1.00 0.00 H new ATOM 1154 N TYR A 74 -5.585 -5.571 -2.594 1.00 0.00 N ATOM 1155 CA TYR A 74 -4.718 -4.414 -2.465 1.00 0.00 C ATOM 1156 C TYR A 74 -3.269 -4.811 -2.733 1.00 0.00 C ATOM 1157 O TYR A 74 -2.592 -5.339 -1.852 1.00 0.00 O ATOM 1158 CB TYR A 74 -4.855 -3.821 -1.062 1.00 0.00 C ATOM 1159 CG TYR A 74 -6.249 -3.949 -0.482 1.00 0.00 C ATOM 1160 CD1 TYR A 74 -6.677 -5.140 0.098 1.00 0.00 C ATOM 1161 CD2 TYR A 74 -7.136 -2.883 -0.509 1.00 0.00 C ATOM 1162 CE1 TYR A 74 -7.945 -5.261 0.630 1.00 0.00 C ATOM 1163 CE2 TYR A 74 -8.408 -3.001 0.025 1.00 0.00 C ATOM 1164 CZ TYR A 74 -8.806 -4.189 0.592 1.00 0.00 C ATOM 1165 OH TYR A 74 -10.070 -4.306 1.122 1.00 0.00 O ATOM 0 H TYR A 74 -5.239 -6.408 -2.125 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.013 -3.663 -3.198 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.147 -4.316 -0.397 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.579 -2.767 -1.094 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -6.005 -5.985 0.132 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.830 -1.947 -0.953 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.260 -6.194 1.074 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -9.087 -2.161 -0.004 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.549 -3.458 1.015 1.00 0.00 H new ATOM 1175 N VAL A 75 -2.804 -4.562 -3.955 1.00 0.00 N ATOM 1176 CA VAL A 75 -1.439 -4.902 -4.338 1.00 0.00 C ATOM 1177 C VAL A 75 -0.477 -3.786 -3.957 1.00 0.00 C ATOM 1178 O VAL A 75 -0.364 -2.783 -4.659 1.00 0.00 O ATOM 1179 CB VAL A 75 -1.326 -5.182 -5.850 1.00 0.00 C ATOM 1180 CG1 VAL A 75 0.125 -5.417 -6.248 1.00 0.00 C ATOM 1181 CG2 VAL A 75 -2.189 -6.373 -6.237 1.00 0.00 C ATOM 0 H VAL A 75 -3.353 -4.126 -4.696 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.172 -5.810 -3.797 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.688 -4.306 -6.389 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.181 -5.613 -7.319 1.00 0.00 H new ATOM 0 HG12 VAL A 75 0.716 -4.533 -6.009 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.518 -6.274 -5.701 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.097 -6.556 -7.308 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.859 -7.255 -5.688 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.230 -6.162 -5.993 1.00 0.00 H new ATOM 1191 N VAL A 76 0.216 -3.972 -2.843 1.00 0.00 N ATOM 1192 CA VAL A 76 1.161 -2.974 -2.355 1.00 0.00 C ATOM 1193 C VAL A 76 2.611 -3.374 -2.630 1.00 0.00 C ATOM 1194 O VAL A 76 3.093 -4.385 -2.118 1.00 0.00 O ATOM 1195 CB VAL A 76 0.989 -2.745 -0.840 1.00 0.00 C ATOM 1196 CG1 VAL A 76 1.864 -1.593 -0.368 1.00 0.00 C ATOM 1197 CG2 VAL A 76 -0.471 -2.489 -0.496 1.00 0.00 C ATOM 0 H VAL A 76 0.143 -4.805 -2.259 1.00 0.00 H new ATOM 0 HA VAL A 76 0.943 -2.053 -2.896 1.00 0.00 H new ATOM 0 HB VAL A 76 1.307 -3.649 -0.321 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.728 -1.448 0.704 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.910 -1.823 -0.573 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.582 -0.682 -0.896 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.569 -2.330 0.578 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.820 -1.604 -1.027 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.071 -3.350 -0.792 1.00 0.00 H new ATOM 1207 N LEU A 77 3.294 -2.576 -3.451 1.00 0.00 N ATOM 1208 CA LEU A 77 4.699 -2.821 -3.770 1.00 0.00 C ATOM 1209 C LEU A 77 5.574 -1.858 -2.989 1.00 0.00 C ATOM 1210 O LEU A 77 5.605 -0.664 -3.280 1.00 0.00 O ATOM 1211 CB LEU A 77 4.962 -2.653 -5.267 1.00 0.00 C ATOM 1212 CG LEU A 77 4.301 -3.703 -6.163 1.00 0.00 C ATOM 1213 CD1 LEU A 77 4.571 -3.398 -7.628 1.00 0.00 C ATOM 1214 CD2 LEU A 77 4.794 -5.096 -5.805 1.00 0.00 C ATOM 0 H LEU A 77 2.896 -1.755 -3.907 1.00 0.00 H new ATOM 0 HA LEU A 77 4.939 -3.848 -3.493 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.615 -1.666 -5.573 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.038 -2.679 -5.436 1.00 0.00 H new ATOM 0 HG LEU A 77 3.224 -3.669 -5.999 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.094 -4.154 -8.251 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.167 -2.416 -7.876 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.646 -3.404 -7.809 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.313 -5.830 -6.452 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.874 -5.145 -5.940 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.548 -5.313 -4.765 1.00 0.00 H new ATOM 1226 N VAL A 78 6.288 -2.373 -2.003 1.00 0.00 N ATOM 1227 CA VAL A 78 7.140 -1.535 -1.179 1.00 0.00 C ATOM 1228 C VAL A 78 8.600 -1.621 -1.615 1.00 0.00 C ATOM 1229 O VAL A 78 9.262 -2.639 -1.416 1.00 0.00 O ATOM 1230 CB VAL A 78 7.016 -1.909 0.308 1.00 0.00 C ATOM 1231 CG1 VAL A 78 6.529 -0.714 1.118 1.00 0.00 C ATOM 1232 CG2 VAL A 78 6.082 -3.098 0.492 1.00 0.00 C ATOM 0 H VAL A 78 6.295 -3.362 -1.755 1.00 0.00 H new ATOM 0 HA VAL A 78 6.801 -0.508 -1.312 1.00 0.00 H new ATOM 0 HB VAL A 78 8.003 -2.195 0.672 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.447 -0.995 2.168 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.238 0.107 1.017 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.553 -0.398 0.749 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.010 -3.344 1.551 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.093 -2.846 0.110 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.474 -3.956 -0.054 1.00 0.00 H new ATOM 1242 N LYS A 79 9.088 -0.537 -2.213 1.00 0.00 N ATOM 1243 CA LYS A 79 10.463 -0.468 -2.694 1.00 0.00 C ATOM 1244 C LYS A 79 11.278 0.566 -1.914 1.00 0.00 C ATOM 1245 O LYS A 79 11.244 1.752 -2.232 1.00 0.00 O ATOM 1246 CB LYS A 79 10.474 -0.111 -4.182 1.00 0.00 C ATOM 1247 CG LYS A 79 10.299 -1.310 -5.099 1.00 0.00 C ATOM 1248 CD LYS A 79 10.397 -0.911 -6.564 1.00 0.00 C ATOM 1249 CE LYS A 79 9.248 -0.004 -6.977 1.00 0.00 C ATOM 1250 NZ LYS A 79 9.329 0.376 -8.415 1.00 0.00 N ATOM 0 H LYS A 79 8.546 0.311 -2.376 1.00 0.00 H new ATOM 0 HA LYS A 79 10.920 -1.446 -2.543 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.678 0.606 -4.380 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.415 0.384 -4.421 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.060 -2.057 -4.873 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.331 -1.775 -4.911 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.344 -0.402 -6.740 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.396 -1.806 -7.186 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.301 -0.509 -6.788 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.257 0.896 -6.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.528 0.994 -8.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.221 0.881 -8.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.294 -0.481 -9.003 1.00 0.00 H new ATOM 1264 N PRO A 80 12.027 0.135 -0.884 1.00 0.00 N ATOM 1265 CA PRO A 80 12.845 1.045 -0.077 1.00 0.00 C ATOM 1266 C PRO A 80 13.783 1.890 -0.933 1.00 0.00 C ATOM 1267 O PRO A 80 14.782 1.395 -1.456 1.00 0.00 O ATOM 1268 CB PRO A 80 13.644 0.117 0.845 1.00 0.00 C ATOM 1269 CG PRO A 80 13.448 -1.262 0.306 1.00 0.00 C ATOM 1270 CD PRO A 80 12.135 -1.254 -0.420 1.00 0.00 C ATOM 0 HA PRO A 80 12.229 1.761 0.467 1.00 0.00 H new ATOM 0 HB2 PRO A 80 14.700 0.387 0.852 1.00 0.00 H new ATOM 0 HB3 PRO A 80 13.290 0.189 1.873 1.00 0.00 H new ATOM 0 HG2 PRO A 80 14.261 -1.535 -0.367 1.00 0.00 H new ATOM 0 HG3 PRO A 80 13.441 -1.996 1.112 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.128 -1.959 -1.251 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.308 -1.526 0.236 1.00 0.00 H new ATOM 1278 N ARG A 81 13.451 3.169 -1.072 1.00 0.00 N ATOM 1279 CA ARG A 81 14.254 4.089 -1.865 1.00 0.00 C ATOM 1280 C ARG A 81 15.590 4.380 -1.192 1.00 0.00 C ATOM 1281 O ARG A 81 16.591 4.641 -1.860 1.00 0.00 O ATOM 1282 CB ARG A 81 13.495 5.394 -2.090 1.00 0.00 C ATOM 1283 CG ARG A 81 12.549 5.353 -3.275 1.00 0.00 C ATOM 1284 CD ARG A 81 11.618 6.550 -3.270 1.00 0.00 C ATOM 1285 NE ARG A 81 10.738 6.565 -4.436 1.00 0.00 N ATOM 1286 CZ ARG A 81 10.037 7.629 -4.818 1.00 0.00 C ATOM 1287 NH1 ARG A 81 10.117 8.762 -4.132 1.00 0.00 N ATOM 1288 NH2 ARG A 81 9.257 7.562 -5.888 1.00 0.00 N ATOM 0 H ARG A 81 12.628 3.592 -0.643 1.00 0.00 H new ATOM 0 HA ARG A 81 14.451 3.614 -2.826 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.927 5.633 -1.191 1.00 0.00 H new ATOM 0 HB3 ARG A 81 14.213 6.201 -2.237 1.00 0.00 H new ATOM 0 HG2 ARG A 81 13.122 5.338 -4.202 1.00 0.00 H new ATOM 0 HG3 ARG A 81 11.965 4.433 -3.246 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.016 6.537 -2.362 1.00 0.00 H new ATOM 0 HD3 ARG A 81 12.207 7.467 -3.249 1.00 0.00 H new ATOM 0 HE ARG A 81 10.657 5.711 -4.988 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.717 8.819 -3.309 1.00 0.00 H new ATOM 0 HH12 ARG A 81 9.578 9.576 -4.427 1.00 0.00 H new ATOM 0 HH21 ARG A 81 9.194 6.694 -6.419 1.00 0.00 H new ATOM 0 HH22 ARG A 81 8.720 8.379 -6.180 1.00 0.00 H new ATOM 1302 N LYS A 82 15.598 4.334 0.136 1.00 0.00 N ATOM 1303 CA LYS A 82 16.808 4.603 0.903 1.00 0.00 C ATOM 1304 C LYS A 82 17.145 3.429 1.816 1.00 0.00 C ATOM 1305 O LYS A 82 16.468 2.401 1.798 1.00 0.00 O ATOM 1306 CB LYS A 82 16.630 5.876 1.734 1.00 0.00 C ATOM 1307 CG LYS A 82 16.110 7.058 0.931 1.00 0.00 C ATOM 1308 CD LYS A 82 15.989 8.306 1.789 1.00 0.00 C ATOM 1309 CE LYS A 82 15.414 9.471 0.997 1.00 0.00 C ATOM 1310 NZ LYS A 82 15.327 10.710 1.817 1.00 0.00 N ATOM 0 H LYS A 82 14.780 4.113 0.703 1.00 0.00 H new ATOM 0 HA LYS A 82 17.632 4.742 0.204 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.940 5.672 2.553 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.587 6.144 2.182 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.781 7.254 0.095 1.00 0.00 H new ATOM 0 HG3 LYS A 82 15.137 6.811 0.507 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.351 8.098 2.648 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.970 8.578 2.179 1.00 0.00 H new ATOM 0 HE2 LYS A 82 16.037 9.658 0.122 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.422 9.207 0.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.395 11.152 1.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 15.453 10.471 2.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 16.071 11.374 1.523 1.00 0.00 H new ATOM 1324 N ARG A 83 18.198 3.588 2.612 1.00 0.00 N ATOM 1325 CA ARG A 83 18.622 2.543 3.535 1.00 0.00 C ATOM 1326 C ARG A 83 18.522 3.022 4.979 1.00 0.00 C ATOM 1327 O ARG A 83 18.764 4.193 5.272 1.00 0.00 O ATOM 1328 CB ARG A 83 20.058 2.120 3.228 1.00 0.00 C ATOM 1329 CG ARG A 83 20.288 1.770 1.768 1.00 0.00 C ATOM 1330 CD ARG A 83 21.769 1.674 1.445 1.00 0.00 C ATOM 1331 NE ARG A 83 22.005 1.336 0.044 1.00 0.00 N ATOM 1332 CZ ARG A 83 23.174 1.499 -0.568 1.00 0.00 C ATOM 1333 NH1 ARG A 83 24.211 1.993 0.096 1.00 0.00 N ATOM 1334 NH2 ARG A 83 23.306 1.168 -1.845 1.00 0.00 N ATOM 0 H ARG A 83 18.773 4.430 2.636 1.00 0.00 H new ATOM 0 HA ARG A 83 17.960 1.687 3.407 1.00 0.00 H new ATOM 0 HB2 ARG A 83 20.734 2.927 3.511 1.00 0.00 H new ATOM 0 HB3 ARG A 83 20.314 1.258 3.845 1.00 0.00 H new ATOM 0 HG2 ARG A 83 19.802 0.821 1.539 1.00 0.00 H new ATOM 0 HG3 ARG A 83 19.825 2.526 1.134 1.00 0.00 H new ATOM 0 HD2 ARG A 83 22.252 2.624 1.675 1.00 0.00 H new ATOM 0 HD3 ARG A 83 22.230 0.920 2.082 1.00 0.00 H new ATOM 0 HE ARG A 83 21.229 0.953 -0.496 1.00 0.00 H new ATOM 0 HH11 ARG A 83 24.113 2.249 1.078 1.00 0.00 H new ATOM 0 HH12 ARG A 83 25.107 2.117 -0.376 1.00 0.00 H new ATOM 0 HH21 ARG A 83 22.511 0.788 -2.358 1.00 0.00 H new ATOM 0 HH22 ARG A 83 24.203 1.293 -2.314 1.00 0.00 H new ATOM 1348 N GLY A 84 18.164 2.109 5.875 1.00 0.00 N ATOM 1349 CA GLY A 84 18.040 2.458 7.278 1.00 0.00 C ATOM 1350 C GLY A 84 16.814 1.839 7.921 1.00 0.00 C ATOM 1351 O GLY A 84 16.587 0.634 7.807 1.00 0.00 O ATOM 0 H GLY A 84 17.958 1.135 5.655 1.00 0.00 H new ATOM 0 HA2 GLY A 84 18.932 2.129 7.812 1.00 0.00 H new ATOM 0 HA3 GLY A 84 17.991 3.542 7.377 1.00 0.00 H new ATOM 1355 N HIS A 85 16.023 2.664 8.599 1.00 0.00 N ATOM 1356 CA HIS A 85 14.815 2.189 9.261 1.00 0.00 C ATOM 1357 C HIS A 85 13.568 2.619 8.495 1.00 0.00 C ATOM 1358 O HIS A 85 13.033 3.706 8.716 1.00 0.00 O ATOM 1359 CB HIS A 85 14.748 2.711 10.695 1.00 0.00 C ATOM 1360 CG HIS A 85 15.910 2.289 11.542 1.00 0.00 C ATOM 1361 ND1 HIS A 85 16.979 3.115 11.819 1.00 0.00 N ATOM 1362 CD2 HIS A 85 16.167 1.120 12.175 1.00 0.00 C ATOM 1363 CE1 HIS A 85 17.842 2.473 12.586 1.00 0.00 C ATOM 1364 NE2 HIS A 85 17.372 1.262 12.817 1.00 0.00 N ATOM 0 H HIS A 85 16.197 3.664 8.704 1.00 0.00 H new ATOM 0 HA HIS A 85 14.852 1.100 9.281 1.00 0.00 H new ATOM 0 HB2 HIS A 85 14.700 3.800 10.675 1.00 0.00 H new ATOM 0 HB3 HIS A 85 13.826 2.360 11.158 1.00 0.00 H new ATOM 0 HD2 HIS A 85 15.541 0.240 12.175 1.00 0.00 H new ATOM 0 HE1 HIS A 85 18.773 2.871 12.960 1.00 0.00 H new ATOM 0 HE2 HIS A 85 17.830 0.547 13.382 1.00 0.00 H new ATOM 1373 N HIS A 86 13.117 1.760 7.588 1.00 0.00 N ATOM 1374 CA HIS A 86 11.931 2.041 6.787 1.00 0.00 C ATOM 1375 C HIS A 86 10.766 1.170 7.240 1.00 0.00 C ATOM 1376 O HIS A 86 10.962 0.180 7.944 1.00 0.00 O ATOM 1377 CB HIS A 86 12.217 1.800 5.304 1.00 0.00 C ATOM 1378 CG HIS A 86 13.332 2.637 4.760 1.00 0.00 C ATOM 1379 ND1 HIS A 86 14.221 3.324 5.560 1.00 0.00 N ATOM 1380 CD2 HIS A 86 13.700 2.898 3.484 1.00 0.00 C ATOM 1381 CE1 HIS A 86 15.086 3.971 4.800 1.00 0.00 C ATOM 1382 NE2 HIS A 86 14.791 3.729 3.536 1.00 0.00 N ATOM 0 H HIS A 86 13.556 0.861 7.389 1.00 0.00 H new ATOM 0 HA HIS A 86 11.663 3.088 6.927 1.00 0.00 H new ATOM 0 HB2 HIS A 86 12.460 0.748 5.157 1.00 0.00 H new ATOM 0 HB3 HIS A 86 11.311 2.001 4.732 1.00 0.00 H new ATOM 0 HD1 HIS A 86 14.212 3.331 6.580 1.00 0.00 H new ATOM 0 HD2 HIS A 86 13.224 2.522 2.591 1.00 0.00 H new ATOM 0 HE1 HIS A 86 15.896 4.592 5.152 1.00 0.00 H new ATOM 1391 N THR A 87 9.555 1.537 6.831 1.00 0.00 N ATOM 1392 CA THR A 87 8.369 0.780 7.213 1.00 0.00 C ATOM 1393 C THR A 87 7.193 1.061 6.281 1.00 0.00 C ATOM 1394 O THR A 87 7.141 2.102 5.624 1.00 0.00 O ATOM 1395 CB THR A 87 7.949 1.108 8.658 1.00 0.00 C ATOM 1396 OG1 THR A 87 9.033 0.850 9.557 1.00 0.00 O ATOM 1397 CG2 THR A 87 6.741 0.286 9.069 1.00 0.00 C ATOM 0 H THR A 87 9.370 2.347 6.240 1.00 0.00 H new ATOM 0 HA THR A 87 8.633 -0.275 7.137 1.00 0.00 H new ATOM 0 HB THR A 87 7.685 2.164 8.703 1.00 0.00 H new ATOM 0 HG1 THR A 87 8.795 0.109 10.152 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.463 0.535 10.093 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.907 0.507 8.403 1.00 0.00 H new ATOM 0 HG23 THR A 87 6.984 -0.775 9.007 1.00 0.00 H new ATOM 1405 N LEU A 88 6.251 0.122 6.232 1.00 0.00 N ATOM 1406 CA LEU A 88 5.063 0.260 5.400 1.00 0.00 C ATOM 1407 C LEU A 88 3.810 0.245 6.263 1.00 0.00 C ATOM 1408 O LEU A 88 3.218 -0.810 6.502 1.00 0.00 O ATOM 1409 CB LEU A 88 4.993 -0.865 4.370 1.00 0.00 C ATOM 1410 CG LEU A 88 3.703 -0.904 3.545 1.00 0.00 C ATOM 1411 CD1 LEU A 88 3.601 0.321 2.651 1.00 0.00 C ATOM 1412 CD2 LEU A 88 3.638 -2.176 2.717 1.00 0.00 C ATOM 0 H LEU A 88 6.290 -0.748 6.764 1.00 0.00 H new ATOM 0 HA LEU A 88 5.124 1.213 4.875 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.839 -0.769 3.690 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.106 -1.818 4.886 1.00 0.00 H new ATOM 0 HG LEU A 88 2.857 -0.897 4.232 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.678 0.274 2.073 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.599 1.221 3.266 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.453 0.348 1.972 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.715 -2.186 2.138 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.492 -2.214 2.040 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.661 -3.042 3.378 1.00 0.00 H new ATOM 1424 N GLU A 89 3.420 1.415 6.741 1.00 0.00 N ATOM 1425 CA GLU A 89 2.244 1.542 7.581 1.00 0.00 C ATOM 1426 C GLU A 89 0.962 1.293 6.800 1.00 0.00 C ATOM 1427 O GLU A 89 0.447 2.194 6.147 1.00 0.00 O ATOM 1428 CB GLU A 89 2.201 2.933 8.205 1.00 0.00 C ATOM 1429 CG GLU A 89 3.283 3.154 9.239 1.00 0.00 C ATOM 1430 CD GLU A 89 3.306 4.573 9.771 1.00 0.00 C ATOM 1431 OE1 GLU A 89 4.009 5.419 9.177 1.00 0.00 O ATOM 1432 OE2 GLU A 89 2.621 4.841 10.780 1.00 0.00 O ATOM 0 H GLU A 89 3.905 2.294 6.560 1.00 0.00 H new ATOM 0 HA GLU A 89 2.313 0.786 8.363 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.301 3.681 7.418 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.227 3.086 8.669 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.134 2.462 10.068 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.253 2.920 8.799 1.00 0.00 H new ATOM 1439 N LEU A 90 0.460 0.065 6.859 1.00 0.00 N ATOM 1440 CA LEU A 90 -0.785 -0.277 6.182 1.00 0.00 C ATOM 1441 C LEU A 90 -1.886 -0.485 7.209 1.00 0.00 C ATOM 1442 O LEU A 90 -1.725 -1.254 8.157 1.00 0.00 O ATOM 1443 CB LEU A 90 -0.631 -1.527 5.311 1.00 0.00 C ATOM 1444 CG LEU A 90 0.174 -1.332 4.024 1.00 0.00 C ATOM 1445 CD1 LEU A 90 0.261 -2.639 3.252 1.00 0.00 C ATOM 1446 CD2 LEU A 90 -0.446 -0.242 3.160 1.00 0.00 C ATOM 0 H LEU A 90 0.893 -0.707 7.366 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.050 0.551 5.524 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.153 -2.307 5.904 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.624 -1.891 5.047 1.00 0.00 H new ATOM 0 HG LEU A 90 1.183 -1.020 4.294 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.836 -2.485 2.339 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.752 -3.393 3.867 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.743 -2.977 2.995 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.142 -0.120 2.250 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.466 -0.522 2.898 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.458 0.697 3.713 1.00 0.00 H new ATOM 1458 N VAL A 91 -2.999 0.208 7.022 1.00 0.00 N ATOM 1459 CA VAL A 91 -4.113 0.118 7.952 1.00 0.00 C ATOM 1460 C VAL A 91 -5.445 -0.068 7.224 1.00 0.00 C ATOM 1461 O VAL A 91 -5.579 0.274 6.042 1.00 0.00 O ATOM 1462 CB VAL A 91 -4.185 1.392 8.820 1.00 0.00 C ATOM 1463 CG1 VAL A 91 -4.415 2.615 7.944 1.00 0.00 C ATOM 1464 CG2 VAL A 91 -5.263 1.271 9.887 1.00 0.00 C ATOM 0 H VAL A 91 -3.154 0.838 6.235 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.940 -0.754 8.582 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.231 1.511 9.333 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.464 3.506 8.569 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.594 2.714 7.234 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.353 2.502 7.400 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.290 2.184 10.482 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.232 1.120 9.410 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.041 0.422 10.534 1.00 0.00 H new ATOM 1474 N TYR A 92 -6.420 -0.623 7.943 1.00 0.00 N ATOM 1475 CA TYR A 92 -7.758 -0.844 7.404 1.00 0.00 C ATOM 1476 C TYR A 92 -8.681 0.277 7.874 1.00 0.00 C ATOM 1477 O TYR A 92 -9.325 0.165 8.917 1.00 0.00 O ATOM 1478 CB TYR A 92 -8.291 -2.206 7.862 1.00 0.00 C ATOM 1479 CG TYR A 92 -9.421 -2.753 7.017 1.00 0.00 C ATOM 1480 CD1 TYR A 92 -9.361 -2.718 5.628 1.00 0.00 C ATOM 1481 CD2 TYR A 92 -10.546 -3.315 7.610 1.00 0.00 C ATOM 1482 CE1 TYR A 92 -10.389 -3.225 4.855 1.00 0.00 C ATOM 1483 CE2 TYR A 92 -11.577 -3.826 6.843 1.00 0.00 C ATOM 1484 CZ TYR A 92 -11.493 -3.778 5.468 1.00 0.00 C ATOM 1485 OH TYR A 92 -12.518 -4.286 4.702 1.00 0.00 O ATOM 0 H TYR A 92 -6.304 -0.930 8.909 1.00 0.00 H new ATOM 0 HA TYR A 92 -7.718 -0.841 6.315 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -7.470 -2.923 7.858 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.634 -2.120 8.893 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -8.496 -2.287 5.145 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -10.616 -3.353 8.687 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -10.328 -3.188 3.777 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -12.444 -4.261 7.319 1.00 0.00 H new ATOM 0 HH TYR A 92 -13.220 -4.640 5.288 1.00 0.00 H new ATOM 1495 N THR A 93 -8.735 1.358 7.102 1.00 0.00 N ATOM 1496 CA THR A 93 -9.542 2.522 7.464 1.00 0.00 C ATOM 1497 C THR A 93 -10.588 2.867 6.414 1.00 0.00 C ATOM 1498 O THR A 93 -10.563 2.349 5.307 1.00 0.00 O ATOM 1499 CB THR A 93 -8.647 3.753 7.636 1.00 0.00 C ATOM 1500 OG1 THR A 93 -9.443 4.906 7.928 1.00 0.00 O ATOM 1501 CG2 THR A 93 -7.841 3.993 6.368 1.00 0.00 C ATOM 0 H THR A 93 -8.230 1.454 6.221 1.00 0.00 H new ATOM 0 HA THR A 93 -10.047 2.258 8.393 1.00 0.00 H new ATOM 0 HB THR A 93 -7.963 3.574 8.466 1.00 0.00 H new ATOM 0 HG1 THR A 93 -9.085 5.681 7.447 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.208 4.870 6.500 1.00 0.00 H new ATOM 0 HG22 THR A 93 -7.217 3.123 6.163 1.00 0.00 H new ATOM 0 HG23 THR A 93 -8.520 4.158 5.531 1.00 0.00 H new ATOM 1509 N ARG A 94 -11.494 3.770 6.775 1.00 0.00 N ATOM 1510 CA ARG A 94 -12.538 4.218 5.863 1.00 0.00 C ATOM 1511 C ARG A 94 -12.171 5.582 5.280 1.00 0.00 C ATOM 1512 O ARG A 94 -12.408 6.611 5.910 1.00 0.00 O ATOM 1513 CB ARG A 94 -13.883 4.313 6.587 1.00 0.00 C ATOM 1514 CG ARG A 94 -14.372 2.987 7.145 1.00 0.00 C ATOM 1515 CD ARG A 94 -15.743 3.125 7.787 1.00 0.00 C ATOM 1516 NE ARG A 94 -16.748 3.592 6.836 1.00 0.00 N ATOM 1517 CZ ARG A 94 -18.033 3.754 7.140 1.00 0.00 C ATOM 1518 NH1 ARG A 94 -18.467 3.486 8.364 1.00 0.00 N ATOM 1519 NH2 ARG A 94 -18.883 4.184 6.218 1.00 0.00 N ATOM 0 H ARG A 94 -11.525 4.207 7.696 1.00 0.00 H new ATOM 0 HA ARG A 94 -12.626 3.490 5.056 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -13.796 5.030 7.403 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -14.630 4.704 5.897 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -14.416 2.248 6.345 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -13.660 2.616 7.882 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -16.050 2.162 8.196 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -15.683 3.822 8.623 1.00 0.00 H new ATOM 0 HE ARG A 94 -16.448 3.806 5.885 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -17.815 3.155 9.075 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -19.453 3.611 8.594 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -18.552 4.391 5.276 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -19.868 4.308 6.451 1.00 0.00 H new ATOM 1533 N PRO A 95 -11.568 5.607 4.075 1.00 0.00 N ATOM 1534 CA PRO A 95 -11.167 6.855 3.416 1.00 0.00 C ATOM 1535 C PRO A 95 -12.244 7.932 3.495 1.00 0.00 C ATOM 1536 O PRO A 95 -11.943 9.125 3.529 1.00 0.00 O ATOM 1537 CB PRO A 95 -10.948 6.418 1.969 1.00 0.00 C ATOM 1538 CG PRO A 95 -10.497 5.003 2.078 1.00 0.00 C ATOM 1539 CD PRO A 95 -11.220 4.423 3.263 1.00 0.00 C ATOM 0 HA PRO A 95 -10.292 7.306 3.883 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -11.865 6.500 1.385 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -10.199 7.037 1.475 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -10.731 4.449 1.169 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -9.417 4.948 2.216 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.109 3.871 2.959 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -10.588 3.729 3.817 1.00 0.00 H new ATOM 1547 N PHE A 96 -13.500 7.500 3.523 1.00 0.00 N ATOM 1548 CA PHE A 96 -14.625 8.408 3.599 1.00 0.00 C ATOM 1549 C PHE A 96 -14.754 9.013 4.996 1.00 0.00 C ATOM 1550 O PHE A 96 -15.044 10.201 5.142 1.00 0.00 O ATOM 1551 CB PHE A 96 -15.897 7.652 3.233 1.00 0.00 C ATOM 1552 CG PHE A 96 -15.881 7.091 1.839 1.00 0.00 C ATOM 1553 CD1 PHE A 96 -15.216 5.907 1.562 1.00 0.00 C ATOM 1554 CD2 PHE A 96 -16.529 7.748 0.805 1.00 0.00 C ATOM 1555 CE1 PHE A 96 -15.196 5.389 0.281 1.00 0.00 C ATOM 1556 CE2 PHE A 96 -16.513 7.235 -0.478 1.00 0.00 C ATOM 1557 CZ PHE A 96 -15.846 6.054 -0.740 1.00 0.00 C ATOM 0 H PHE A 96 -13.760 6.514 3.494 1.00 0.00 H new ATOM 0 HA PHE A 96 -14.465 9.227 2.898 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -16.043 6.837 3.942 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -16.751 8.322 3.337 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -14.707 5.383 2.357 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -17.052 8.671 1.004 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -14.673 4.466 0.079 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -17.021 7.757 -1.275 1.00 0.00 H new ATOM 0 HZ PHE A 96 -15.833 5.651 -1.742 1.00 0.00 H new ATOM 1567 N GLU A 97 -14.539 8.189 6.018 1.00 0.00 N ATOM 1568 CA GLU A 97 -14.634 8.643 7.403 1.00 0.00 C ATOM 1569 C GLU A 97 -13.260 8.992 7.968 1.00 0.00 C ATOM 1570 O GLU A 97 -12.912 10.166 8.099 1.00 0.00 O ATOM 1571 CB GLU A 97 -15.291 7.566 8.270 1.00 0.00 C ATOM 1572 CG GLU A 97 -16.690 7.184 7.813 1.00 0.00 C ATOM 1573 CD GLU A 97 -17.655 8.352 7.848 1.00 0.00 C ATOM 1574 OE1 GLU A 97 -18.298 8.560 8.898 1.00 0.00 O ATOM 1575 OE2 GLU A 97 -17.768 9.059 6.824 1.00 0.00 O ATOM 0 H GLU A 97 -14.298 7.203 5.914 1.00 0.00 H new ATOM 0 HA GLU A 97 -15.248 9.543 7.416 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -14.662 6.676 8.268 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -15.339 7.920 9.300 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -16.641 6.788 6.799 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -17.070 6.385 8.449 1.00 0.00 H new ATOM 1582 N GLY A 98 -12.487 7.964 8.301 1.00 0.00 N ATOM 1583 CA GLY A 98 -11.163 8.173 8.859 1.00 0.00 C ATOM 1584 C GLY A 98 -10.628 6.935 9.537 1.00 0.00 C ATOM 1585 O GLY A 98 -11.337 5.941 9.686 1.00 0.00 O ATOM 0 H GLY A 98 -12.755 6.986 8.194 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.480 8.475 8.065 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.198 8.992 9.577 1.00 0.00 H new ATOM 1589 N ILE A 99 -9.371 6.997 9.948 1.00 0.00 N ATOM 1590 CA ILE A 99 -8.725 5.873 10.601 1.00 0.00 C ATOM 1591 C ILE A 99 -8.997 5.874 12.098 1.00 0.00 C ATOM 1592 O ILE A 99 -9.206 6.927 12.701 1.00 0.00 O ATOM 1593 CB ILE A 99 -7.212 5.893 10.359 1.00 0.00 C ATOM 1594 CG1 ILE A 99 -6.912 6.362 8.933 1.00 0.00 C ATOM 1595 CG2 ILE A 99 -6.630 4.508 10.608 1.00 0.00 C ATOM 1596 CD1 ILE A 99 -5.537 6.971 8.776 1.00 0.00 C ATOM 0 H ILE A 99 -8.777 7.819 9.839 1.00 0.00 H new ATOM 0 HA ILE A 99 -9.144 4.965 10.168 1.00 0.00 H new ATOM 0 HB ILE A 99 -6.747 6.593 11.053 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.006 5.515 8.253 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -7.662 7.095 8.635 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.554 4.529 10.434 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -6.826 4.211 11.638 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -7.093 3.791 9.930 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -5.392 7.281 7.741 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -5.446 7.838 9.431 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -4.780 6.234 9.043 1.00 0.00 H new ATOM 1608 N LYS A 100 -8.988 4.686 12.693 1.00 0.00 N ATOM 1609 CA LYS A 100 -9.248 4.544 14.116 1.00 0.00 C ATOM 1610 C LYS A 100 -8.416 3.419 14.725 1.00 0.00 C ATOM 1611 O LYS A 100 -7.834 2.604 14.010 1.00 0.00 O ATOM 1612 CB LYS A 100 -10.735 4.274 14.334 1.00 0.00 C ATOM 1613 CG LYS A 100 -11.629 5.394 13.821 1.00 0.00 C ATOM 1614 CD LYS A 100 -13.098 5.000 13.841 1.00 0.00 C ATOM 1615 CE LYS A 100 -13.489 4.233 12.589 1.00 0.00 C ATOM 1616 NZ LYS A 100 -14.889 3.731 12.659 1.00 0.00 N ATOM 0 H LYS A 100 -8.803 3.808 12.209 1.00 0.00 H new ATOM 0 HA LYS A 100 -8.964 5.472 14.613 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -11.006 3.344 13.834 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -10.919 4.129 15.399 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -11.483 6.284 14.433 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -11.337 5.655 12.804 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -13.299 4.388 14.721 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -13.714 5.895 13.927 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -13.378 4.879 11.718 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -12.809 3.393 12.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -14.941 2.786 12.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -15.188 3.674 13.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -15.517 4.382 12.146 1.00 0.00 H new ATOM 1630 N PRO A 101 -8.348 3.371 16.065 1.00 0.00 N ATOM 1631 CA PRO A 101 -7.593 2.344 16.791 1.00 0.00 C ATOM 1632 C PRO A 101 -8.142 0.945 16.537 1.00 0.00 C ATOM 1633 O PRO A 101 -7.389 0.008 16.272 1.00 0.00 O ATOM 1634 CB PRO A 101 -7.781 2.725 18.266 1.00 0.00 C ATOM 1635 CG PRO A 101 -8.226 4.148 18.248 1.00 0.00 C ATOM 1636 CD PRO A 101 -9.000 4.318 16.977 1.00 0.00 C ATOM 0 HA PRO A 101 -6.549 2.312 16.478 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -8.522 2.087 18.746 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -6.852 2.610 18.824 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -8.845 4.375 19.116 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -7.372 4.825 18.279 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -10.056 4.085 17.113 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -8.945 5.341 16.604 1.00 0.00 H new ATOM 1644 N GLU A 102 -9.462 0.816 16.623 1.00 0.00 N ATOM 1645 CA GLU A 102 -10.125 -0.464 16.406 1.00 0.00 C ATOM 1646 C GLU A 102 -9.810 -1.016 15.020 1.00 0.00 C ATOM 1647 O GLU A 102 -9.786 -2.231 14.817 1.00 0.00 O ATOM 1648 CB GLU A 102 -11.632 -0.315 16.577 1.00 0.00 C ATOM 1649 CG GLU A 102 -12.208 0.803 15.740 1.00 0.00 C ATOM 1650 CD GLU A 102 -13.707 0.959 15.916 1.00 0.00 C ATOM 1651 OE1 GLU A 102 -14.123 1.724 16.812 1.00 0.00 O ATOM 1652 OE2 GLU A 102 -14.464 0.316 15.158 1.00 0.00 O ATOM 0 H GLU A 102 -10.095 1.585 16.842 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.750 -1.168 17.149 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -12.118 -1.252 16.307 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -11.857 -0.130 17.627 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -11.717 1.739 16.005 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -11.988 0.614 14.689 1.00 0.00 H new ATOM 1659 N ASN A 103 -9.574 -0.117 14.069 1.00 0.00 N ATOM 1660 CA ASN A 103 -9.258 -0.515 12.700 1.00 0.00 C ATOM 1661 C ASN A 103 -8.085 -1.489 12.669 1.00 0.00 C ATOM 1662 O ASN A 103 -7.169 -1.400 13.488 1.00 0.00 O ATOM 1663 CB ASN A 103 -8.931 0.716 11.852 1.00 0.00 C ATOM 1664 CG ASN A 103 -10.149 1.580 11.577 1.00 0.00 C ATOM 1665 OD1 ASN A 103 -11.147 1.499 12.449 1.00 0.00 O flip ATOM 1666 ND2 ASN A 103 -10.193 2.308 10.586 1.00 0.00 N flip ATOM 0 H ASN A 103 -9.595 0.891 14.221 1.00 0.00 H new ATOM 0 HA ASN A 103 -10.133 -1.015 12.286 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -8.175 1.313 12.362 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -8.497 0.395 10.905 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -9.403 2.340 9.941 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -11.019 2.880 10.409 1.00 0.00 H new ATOM 1673 N GLU A 104 -8.121 -2.421 11.721 1.00 0.00 N ATOM 1674 CA GLU A 104 -7.069 -3.409 11.576 1.00 0.00 C ATOM 1675 C GLU A 104 -5.727 -2.746 11.292 1.00 0.00 C ATOM 1676 O GLU A 104 -5.669 -1.574 10.921 1.00 0.00 O ATOM 1677 CB GLU A 104 -7.427 -4.380 10.460 1.00 0.00 C ATOM 1678 CG GLU A 104 -7.950 -5.709 10.971 1.00 0.00 C ATOM 1679 CD GLU A 104 -9.388 -5.628 11.444 1.00 0.00 C ATOM 1680 OE1 GLU A 104 -10.299 -5.847 10.618 1.00 0.00 O ATOM 1681 OE2 GLU A 104 -9.604 -5.346 12.641 1.00 0.00 O ATOM 0 H GLU A 104 -8.875 -2.509 11.040 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.978 -3.956 12.514 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.180 -3.923 9.817 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.546 -4.556 9.844 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.874 -6.454 10.179 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.320 -6.051 11.792 1.00 0.00 H new ATOM 1688 N ARG A 105 -4.651 -3.507 11.459 1.00 0.00 N ATOM 1689 CA ARG A 105 -3.304 -2.991 11.238 1.00 0.00 C ATOM 1690 C ARG A 105 -2.485 -3.936 10.363 1.00 0.00 C ATOM 1691 O ARG A 105 -2.856 -5.091 10.163 1.00 0.00 O ATOM 1692 CB ARG A 105 -2.599 -2.797 12.589 1.00 0.00 C ATOM 1693 CG ARG A 105 -1.191 -2.227 12.487 1.00 0.00 C ATOM 1694 CD ARG A 105 -1.217 -0.712 12.513 1.00 0.00 C ATOM 1695 NE ARG A 105 -1.670 -0.208 13.805 1.00 0.00 N ATOM 1696 CZ ARG A 105 -1.778 1.085 14.097 1.00 0.00 C ATOM 1697 NH1 ARG A 105 -1.462 2.002 13.192 1.00 0.00 N ATOM 1698 NH2 ARG A 105 -2.200 1.462 15.296 1.00 0.00 N ATOM 0 H ARG A 105 -4.685 -4.485 11.747 1.00 0.00 H new ATOM 0 HA ARG A 105 -3.386 -2.035 10.721 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -3.203 -2.133 13.208 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -2.553 -3.757 13.102 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.583 -2.598 13.312 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -0.721 -2.571 11.565 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -0.220 -0.326 12.300 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -1.876 -0.345 11.726 1.00 0.00 H new ATOM 0 HE ARG A 105 -1.918 -0.886 14.526 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -1.135 1.716 12.269 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -1.546 2.993 13.419 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -2.442 0.760 15.995 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -2.282 2.454 15.519 1.00 0.00 H new ATOM 1712 N TYR A 106 -1.391 -3.412 9.816 1.00 0.00 N ATOM 1713 CA TYR A 106 -0.467 -4.183 8.994 1.00 0.00 C ATOM 1714 C TYR A 106 0.740 -3.318 8.652 1.00 0.00 C ATOM 1715 O TYR A 106 0.913 -2.876 7.518 1.00 0.00 O ATOM 1716 CB TYR A 106 -1.150 -4.703 7.728 1.00 0.00 C ATOM 1717 CG TYR A 106 -0.300 -5.655 6.922 1.00 0.00 C ATOM 1718 CD1 TYR A 106 -0.248 -7.000 7.252 1.00 0.00 C ATOM 1719 CD2 TYR A 106 0.441 -5.215 5.834 1.00 0.00 C ATOM 1720 CE1 TYR A 106 0.520 -7.883 6.522 1.00 0.00 C ATOM 1721 CE2 TYR A 106 1.213 -6.091 5.098 1.00 0.00 C ATOM 1722 CZ TYR A 106 1.250 -7.424 5.446 1.00 0.00 C ATOM 1723 OH TYR A 106 2.016 -8.303 4.715 1.00 0.00 O ATOM 0 H TYR A 106 -1.121 -2.435 9.932 1.00 0.00 H new ATOM 0 HA TYR A 106 -0.134 -5.055 9.557 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.076 -5.205 8.007 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -1.424 -3.855 7.100 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -0.818 -7.363 8.095 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.413 -4.171 5.559 1.00 0.00 H new ATOM 0 HE1 TYR A 106 0.549 -8.928 6.792 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.785 -5.734 4.254 1.00 0.00 H new ATOM 0 HH TYR A 106 2.466 -7.820 3.991 1.00 0.00 H new ATOM 1733 N THR A 107 1.566 -3.064 9.662 1.00 0.00 N ATOM 1734 CA THR A 107 2.751 -2.234 9.497 1.00 0.00 C ATOM 1735 C THR A 107 3.975 -3.075 9.150 1.00 0.00 C ATOM 1736 O THR A 107 4.690 -3.542 10.036 1.00 0.00 O ATOM 1737 CB THR A 107 3.039 -1.432 10.779 1.00 0.00 C ATOM 1738 OG1 THR A 107 1.821 -1.199 11.495 1.00 0.00 O ATOM 1739 CG2 THR A 107 3.689 -0.101 10.446 1.00 0.00 C ATOM 0 H THR A 107 1.434 -3.424 10.607 1.00 0.00 H new ATOM 0 HA THR A 107 2.550 -1.547 8.675 1.00 0.00 H new ATOM 0 HB THR A 107 3.722 -2.013 11.398 1.00 0.00 H new ATOM 0 HG1 THR A 107 2.013 -0.690 12.310 1.00 0.00 H new ATOM 0 HG21 THR A 107 3.884 0.449 11.367 1.00 0.00 H new ATOM 0 HG22 THR A 107 4.629 -0.276 9.922 1.00 0.00 H new ATOM 0 HG23 THR A 107 3.022 0.481 9.810 1.00 0.00 H new ATOM 1747 N LEU A 108 4.215 -3.264 7.858 1.00 0.00 N ATOM 1748 CA LEU A 108 5.356 -4.052 7.408 1.00 0.00 C ATOM 1749 C LEU A 108 6.660 -3.297 7.633 1.00 0.00 C ATOM 1750 O LEU A 108 7.084 -2.504 6.792 1.00 0.00 O ATOM 1751 CB LEU A 108 5.213 -4.421 5.930 1.00 0.00 C ATOM 1752 CG LEU A 108 6.368 -5.246 5.351 1.00 0.00 C ATOM 1753 CD1 LEU A 108 6.666 -6.451 6.233 1.00 0.00 C ATOM 1754 CD2 LEU A 108 6.048 -5.688 3.934 1.00 0.00 C ATOM 0 H LEU A 108 3.638 -2.885 7.107 1.00 0.00 H new ATOM 0 HA LEU A 108 5.379 -4.969 7.996 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.286 -4.980 5.799 1.00 0.00 H new ATOM 0 HB3 LEU A 108 5.116 -3.503 5.350 1.00 0.00 H new ATOM 0 HG LEU A 108 7.257 -4.616 5.324 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.489 -7.022 5.803 1.00 0.00 H new ATOM 0 HD12 LEU A 108 6.942 -6.112 7.231 1.00 0.00 H new ATOM 0 HD13 LEU A 108 5.780 -7.083 6.297 1.00 0.00 H new ATOM 0 HD21 LEU A 108 6.879 -6.272 3.539 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.145 -6.298 3.938 1.00 0.00 H new ATOM 0 HD23 LEU A 108 5.890 -4.811 3.306 1.00 0.00 H new ATOM 1766 N HIS A 109 7.291 -3.551 8.772 1.00 0.00 N ATOM 1767 CA HIS A 109 8.550 -2.901 9.109 1.00 0.00 C ATOM 1768 C HIS A 109 9.710 -3.563 8.377 1.00 0.00 C ATOM 1769 O HIS A 109 9.723 -4.777 8.175 1.00 0.00 O ATOM 1770 CB HIS A 109 8.776 -2.923 10.615 1.00 0.00 C ATOM 1771 CG HIS A 109 8.045 -1.840 11.344 1.00 0.00 C ATOM 1772 ND1 HIS A 109 8.660 -0.694 11.803 1.00 0.00 N ATOM 1773 CD2 HIS A 109 6.741 -1.731 11.692 1.00 0.00 C ATOM 1774 CE1 HIS A 109 7.765 0.073 12.402 1.00 0.00 C ATOM 1775 NE2 HIS A 109 6.593 -0.533 12.347 1.00 0.00 N ATOM 0 H HIS A 109 6.951 -4.203 9.479 1.00 0.00 H new ATOM 0 HA HIS A 109 8.497 -1.861 8.787 1.00 0.00 H new ATOM 0 HB2 HIS A 109 8.462 -3.890 11.007 1.00 0.00 H new ATOM 0 HB3 HIS A 109 9.843 -2.829 10.816 1.00 0.00 H new ATOM 0 HD2 HIS A 109 5.962 -2.452 11.492 1.00 0.00 H new ATOM 0 HE1 HIS A 109 7.959 1.032 12.859 1.00 0.00 H new ATOM 0 HE2 HIS A 109 5.720 -0.170 12.729 1.00 0.00 H new ATOM 1784 N LEU A 110 10.690 -2.750 8.002 1.00 0.00 N ATOM 1785 CA LEU A 110 11.849 -3.226 7.259 1.00 0.00 C ATOM 1786 C LEU A 110 13.112 -2.460 7.643 1.00 0.00 C ATOM 1787 O LEU A 110 13.252 -1.280 7.322 1.00 0.00 O ATOM 1788 CB LEU A 110 11.605 -3.065 5.755 1.00 0.00 C ATOM 1789 CG LEU A 110 10.404 -3.834 5.197 1.00 0.00 C ATOM 1790 CD1 LEU A 110 10.132 -3.423 3.759 1.00 0.00 C ATOM 1791 CD2 LEU A 110 10.631 -5.334 5.292 1.00 0.00 C ATOM 0 H LEU A 110 10.704 -1.750 8.203 1.00 0.00 H new ATOM 0 HA LEU A 110 11.992 -4.278 7.507 1.00 0.00 H new ATOM 0 HB2 LEU A 110 11.469 -2.006 5.538 1.00 0.00 H new ATOM 0 HB3 LEU A 110 12.500 -3.387 5.223 1.00 0.00 H new ATOM 0 HG LEU A 110 9.530 -3.586 5.798 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.275 -3.979 3.378 1.00 0.00 H new ATOM 0 HD12 LEU A 110 9.918 -2.355 3.720 1.00 0.00 H new ATOM 0 HD13 LEU A 110 11.007 -3.640 3.147 1.00 0.00 H new ATOM 0 HD21 LEU A 110 9.765 -5.859 4.890 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.518 -5.605 4.719 1.00 0.00 H new ATOM 0 HD23 LEU A 110 10.773 -5.615 6.335 1.00 0.00 H new ATOM 1803 N ASN A 111 14.026 -3.133 8.332 1.00 0.00 N ATOM 1804 CA ASN A 111 15.285 -2.519 8.725 1.00 0.00 C ATOM 1805 C ASN A 111 16.254 -2.579 7.552 1.00 0.00 C ATOM 1806 O ASN A 111 17.240 -3.316 7.575 1.00 0.00 O ATOM 1807 CB ASN A 111 15.874 -3.227 9.946 1.00 0.00 C ATOM 1808 CG ASN A 111 17.198 -2.632 10.388 1.00 0.00 C ATOM 1809 OD1 ASN A 111 17.375 -1.339 10.144 1.00 0.00 O flip ATOM 1810 ND2 ASN A 111 18.050 -3.325 10.941 1.00 0.00 N flip ATOM 0 H ASN A 111 13.918 -4.103 8.629 1.00 0.00 H new ATOM 0 HA ASN A 111 15.109 -1.478 8.998 1.00 0.00 H new ATOM 0 HB2 ASN A 111 15.163 -3.172 10.770 1.00 0.00 H new ATOM 0 HB3 ASN A 111 16.014 -4.283 9.716 1.00 0.00 H new ATOM 0 HD21 ASN A 111 17.872 -4.315 11.109 1.00 0.00 H new ATOM 0 HD22 ASN A 111 18.935 -2.910 11.232 1.00 0.00 H new ATOM 1817 N VAL A 112 15.944 -1.800 6.523 1.00 0.00 N ATOM 1818 CA VAL A 112 16.748 -1.759 5.308 1.00 0.00 C ATOM 1819 C VAL A 112 18.233 -1.601 5.621 1.00 0.00 C ATOM 1820 O VAL A 112 18.650 -0.602 6.206 1.00 0.00 O ATOM 1821 CB VAL A 112 16.307 -0.608 4.382 1.00 0.00 C ATOM 1822 CG1 VAL A 112 16.667 -0.917 2.940 1.00 0.00 C ATOM 1823 CG2 VAL A 112 14.815 -0.343 4.515 1.00 0.00 C ATOM 0 H VAL A 112 15.133 -1.182 6.507 1.00 0.00 H new ATOM 0 HA VAL A 112 16.591 -2.711 4.801 1.00 0.00 H new ATOM 0 HB VAL A 112 16.839 0.294 4.686 1.00 0.00 H new ATOM 0 HG11 VAL A 112 16.348 -0.094 2.301 1.00 0.00 H new ATOM 0 HG12 VAL A 112 17.746 -1.046 2.854 1.00 0.00 H new ATOM 0 HG13 VAL A 112 16.166 -1.833 2.628 1.00 0.00 H new ATOM 0 HG21 VAL A 112 14.530 0.473 3.851 1.00 0.00 H new ATOM 0 HG22 VAL A 112 14.260 -1.241 4.244 1.00 0.00 H new ATOM 0 HG23 VAL A 112 14.584 -0.071 5.545 1.00 0.00 H new ATOM 1833 N LYS A 113 19.025 -2.594 5.229 1.00 0.00 N ATOM 1834 CA LYS A 113 20.463 -2.565 5.461 1.00 0.00 C ATOM 1835 C LYS A 113 21.176 -1.777 4.367 1.00 0.00 C ATOM 1836 O LYS A 113 21.493 -2.376 3.318 1.00 0.00 O ATOM 1837 CB LYS A 113 21.013 -3.989 5.523 1.00 0.00 C ATOM 1838 CG LYS A 113 20.542 -4.768 6.740 1.00 0.00 C ATOM 1839 CD LYS A 113 21.243 -4.296 8.004 1.00 0.00 C ATOM 1840 CE LYS A 113 20.756 -5.054 9.227 1.00 0.00 C ATOM 1841 NZ LYS A 113 20.956 -6.523 9.089 1.00 0.00 N ATOM 1842 OXT LYS A 113 21.413 -0.568 4.569 1.00 0.00 O ATOM 0 H LYS A 113 18.693 -3.430 4.748 1.00 0.00 H new ATOM 0 HA LYS A 113 20.645 -2.069 6.414 1.00 0.00 H new ATOM 0 HB2 LYS A 113 20.716 -4.524 4.621 1.00 0.00 H new ATOM 0 HB3 LYS A 113 22.102 -3.950 5.526 1.00 0.00 H new ATOM 0 HG2 LYS A 113 19.464 -4.651 6.854 1.00 0.00 H new ATOM 0 HG3 LYS A 113 20.734 -5.831 6.591 1.00 0.00 H new ATOM 0 HD2 LYS A 113 22.319 -4.430 7.896 1.00 0.00 H new ATOM 0 HD3 LYS A 113 21.067 -3.229 8.142 1.00 0.00 H new ATOM 0 HE2 LYS A 113 21.287 -4.697 10.110 1.00 0.00 H new ATOM 0 HE3 LYS A 113 19.698 -4.845 9.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 20.837 -6.978 10.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 20.256 -6.907 8.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 21.914 -6.711 8.732 1.00 0.00 H new