USER MOD reduce.3.24.130724 H: found=0, std=0, add=892, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 887 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 97 TYR OH : rot -67:sc= 0.392 USER MOD Set 1.2: A 125 LYS NZ :NH3+ -172:sc= 0.362 (180deg=0.3) USER MOD Set 2.1: A 70 LYS NZ :NH3+ -167:sc= -0.143 (180deg=0) USER MOD Set 2.2: A 78 THR OG1 : rot 9:sc= -0.738 USER MOD Set 2.3: A 81 GLN : amide:sc= -2.41 K(o=-3.3,f=-15!) USER MOD Set 3.1: A 46 ASN : amide:sc= -6.55! C(o=-6.9!,f=-10!) USER MOD Set 3.2: A 67 SER OG : rot -12:sc= -0.322 USER MOD Set 4.1: A 32 CYS SG : rot 161:sc= -0.933 USER MOD Set 4.2: A 35 CYS SG : rot -47:sc= -1.56! USER MOD Set 4.3: A 52 CYS SG : rot -147:sc= 1.94 USER MOD Set 4.4: A 55 CYS SG : rot 89:sc= -0.385 USER MOD Set 5.1: A 29 ASN : amide:sc= -8.2! C(o=-11!,f=-23!) USER MOD Set 5.2: A 90 ASN : amide:sc= -2.92! C(o=-11!,f=-21!) USER MOD Single : A 16 HIS : no HD1:sc= -1.97 K(o=-2,f=-0.97) USER MOD Single : A 17 GLN : amide:sc= -0.507 X(o=-0.51,f=-0.65) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.171) USER MOD Single : A 30 LYS NZ :NH3+ -165:sc= 0.646 (180deg=0.51) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 164:sc= -0.03 (180deg=-0.312) USER MOD Single : A 44 SER OG : rot -66:sc= 0.384 USER MOD Single : A 59 HIS : no HD1:sc= -0.444 X(o=-0.44,f=-0.35) USER MOD Single : A 61 ASN : amide:sc= -8.14! C(o=-8.1!,f=-13!) USER MOD Single : A 65 HIS : no HD1:sc= -2.51! C(o=-2.5!,f=-3.2!) USER MOD Single : A 71 SER OG : rot 23:sc= -0.0185 USER MOD Single : A 73 ASN : amide:sc=-0.00529 X(o=-0.0053,f=-0.25) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 83 GLN : amide:sc= -0.719 K(o=-0.72,f=-2.5!) USER MOD Single : A 84 CYS SG : rot 122:sc= 0.472 USER MOD Single : A 85 MET CE :methyl -139:sc= -1.32 (180deg=-1.97) USER MOD Single : A 86 GLN : amide:sc= -9.12! C(o=-9.1!,f=-11!) USER MOD Single : A 88 MET CE :methyl 147:sc= -2.03 (180deg=-3.13!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -1.58 K(o=-1.6,f=-0.083) USER MOD Single : A 109 GLN : amide:sc= -2.15 K(o=-2.1,f=0.17) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 LYS NZ :NH3+ -138:sc= -0.361! (180deg=-1.71!) USER MOD Single : A 122 TYR OH : rot 64:sc= 0.0438 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 202 N HIS A 16 -10.234 -1.841 7.910 1.00 0.00 N ATOM 203 CA HIS A 16 -8.784 -1.688 7.865 1.00 0.00 C ATOM 204 C HIS A 16 -8.092 -3.046 7.927 1.00 0.00 C ATOM 205 O HIS A 16 -7.332 -3.407 7.029 1.00 0.00 O ATOM 206 CB HIS A 16 -8.308 -0.807 9.021 1.00 0.00 C ATOM 207 CG HIS A 16 -8.811 0.602 8.947 1.00 0.00 C ATOM 208 ND1 HIS A 16 -8.287 1.629 9.703 1.00 0.00 N ATOM 209 CD2 HIS A 16 -9.796 1.152 8.199 1.00 0.00 C ATOM 210 CE1 HIS A 16 -8.929 2.749 9.424 1.00 0.00 C ATOM 211 NE2 HIS A 16 -9.850 2.487 8.515 1.00 0.00 N ATOM 0 HA HIS A 16 -8.523 -1.210 6.921 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -8.632 -1.251 9.962 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -7.218 -0.795 9.033 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -10.423 0.637 7.486 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -8.734 3.715 9.865 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -10.496 3.166 8.113 1.00 0.00 H new ATOM 219 N GLN A 17 -8.361 -3.794 8.993 1.00 0.00 N ATOM 220 CA GLN A 17 -7.762 -5.112 9.171 1.00 0.00 C ATOM 221 C GLN A 17 -7.986 -5.982 7.939 1.00 0.00 C ATOM 222 O GLN A 17 -7.034 -6.385 7.270 1.00 0.00 O ATOM 223 CB GLN A 17 -8.346 -5.797 10.408 1.00 0.00 C ATOM 224 CG GLN A 17 -7.676 -5.381 11.707 1.00 0.00 C ATOM 225 CD GLN A 17 -7.683 -3.879 11.913 1.00 0.00 C ATOM 226 OE1 GLN A 17 -8.735 -3.274 12.122 1.00 0.00 O ATOM 227 NE2 GLN A 17 -6.505 -3.268 11.855 1.00 0.00 N ATOM 0 H GLN A 17 -8.989 -3.510 9.745 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.689 -4.981 9.310 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.411 -5.571 10.469 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -8.255 -6.877 10.292 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -8.184 -5.861 12.543 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -6.647 -5.740 11.711 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.658 -3.809 11.679 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -6.447 -2.258 11.986 1.00 0.00 H new ATOM 236 N LEU A 18 -9.249 -6.270 7.646 1.00 0.00 N ATOM 237 CA LEU A 18 -9.598 -7.094 6.494 1.00 0.00 C ATOM 238 C LEU A 18 -8.832 -6.649 5.253 1.00 0.00 C ATOM 239 O LEU A 18 -8.051 -7.414 4.686 1.00 0.00 O ATOM 240 CB LEU A 18 -11.104 -7.025 6.230 1.00 0.00 C ATOM 241 CG LEU A 18 -11.689 -8.153 5.380 1.00 0.00 C ATOM 242 CD1 LEU A 18 -11.930 -9.391 6.229 1.00 0.00 C ATOM 243 CD2 LEU A 18 -12.979 -7.702 4.711 1.00 0.00 C ATOM 0 H LEU A 18 -10.048 -5.945 8.190 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.321 -8.124 6.719 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.621 -7.015 7.190 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.324 -6.076 5.740 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.969 -8.407 4.602 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -12.347 -10.183 5.607 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.986 -9.726 6.660 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.630 -9.152 7.030 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -13.382 -8.517 4.110 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -13.705 -7.420 5.474 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -12.776 -6.845 4.069 1.00 0.00 H new ATOM 255 N ILE A 19 -9.058 -5.407 4.839 1.00 0.00 N ATOM 256 CA ILE A 19 -8.386 -4.859 3.667 1.00 0.00 C ATOM 257 C ILE A 19 -6.913 -5.253 3.644 1.00 0.00 C ATOM 258 O ILE A 19 -6.435 -5.855 2.681 1.00 0.00 O ATOM 259 CB ILE A 19 -8.495 -3.323 3.622 1.00 0.00 C ATOM 260 CG1 ILE A 19 -9.964 -2.896 3.588 1.00 0.00 C ATOM 261 CG2 ILE A 19 -7.750 -2.774 2.415 1.00 0.00 C ATOM 262 CD1 ILE A 19 -10.179 -1.444 3.954 1.00 0.00 C ATOM 0 H ILE A 19 -9.701 -4.761 5.297 1.00 0.00 H new ATOM 0 HA ILE A 19 -8.886 -5.277 2.793 1.00 0.00 H new ATOM 0 HB ILE A 19 -8.038 -2.914 4.523 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -10.363 -3.074 2.589 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -10.533 -3.524 4.274 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -7.836 -1.688 2.397 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.698 -3.053 2.479 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -8.181 -3.187 1.503 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.243 -1.211 3.909 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -9.811 -1.265 4.964 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -9.638 -0.808 3.253 1.00 0.00 H new ATOM 274 N LEU A 20 -6.198 -4.912 4.710 1.00 0.00 N ATOM 275 CA LEU A 20 -4.778 -5.232 4.814 1.00 0.00 C ATOM 276 C LEU A 20 -4.523 -6.694 4.463 1.00 0.00 C ATOM 277 O LEU A 20 -3.579 -7.014 3.740 1.00 0.00 O ATOM 278 CB LEU A 20 -4.271 -4.939 6.227 1.00 0.00 C ATOM 279 CG LEU A 20 -4.033 -3.466 6.562 1.00 0.00 C ATOM 280 CD1 LEU A 20 -3.932 -3.271 8.067 1.00 0.00 C ATOM 281 CD2 LEU A 20 -2.775 -2.959 5.871 1.00 0.00 C ATOM 0 H LEU A 20 -6.578 -4.414 5.515 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.237 -4.607 4.104 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.990 -5.342 6.940 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.337 -5.480 6.376 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.882 -2.888 6.197 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.763 -2.217 8.287 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.859 -3.596 8.539 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.102 -3.861 8.455 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.621 -1.909 6.120 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.916 -3.541 6.205 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.886 -3.063 4.792 1.00 0.00 H new ATOM 293 N SER A 21 -5.372 -7.578 4.977 1.00 0.00 N ATOM 294 CA SER A 21 -5.237 -9.007 4.719 1.00 0.00 C ATOM 295 C SER A 21 -5.454 -9.315 3.241 1.00 0.00 C ATOM 296 O SER A 21 -4.705 -10.085 2.638 1.00 0.00 O ATOM 297 CB SER A 21 -6.236 -9.796 5.568 1.00 0.00 C ATOM 298 OG SER A 21 -6.377 -11.122 5.088 1.00 0.00 O ATOM 0 H SER A 21 -6.161 -7.330 5.574 1.00 0.00 H new ATOM 0 HA SER A 21 -4.224 -9.306 4.990 1.00 0.00 H new ATOM 0 HB2 SER A 21 -5.902 -9.815 6.605 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.204 -9.296 5.554 1.00 0.00 H new ATOM 0 HG SER A 21 -7.019 -11.606 5.648 1.00 0.00 H new ATOM 304 N LYS A 22 -6.484 -8.709 2.662 1.00 0.00 N ATOM 305 CA LYS A 22 -6.801 -8.915 1.253 1.00 0.00 C ATOM 306 C LYS A 22 -5.573 -8.681 0.379 1.00 0.00 C ATOM 307 O LYS A 22 -5.246 -9.499 -0.482 1.00 0.00 O ATOM 308 CB LYS A 22 -7.934 -7.981 0.822 1.00 0.00 C ATOM 309 CG LYS A 22 -9.317 -8.586 0.985 1.00 0.00 C ATOM 310 CD LYS A 22 -9.657 -8.814 2.448 1.00 0.00 C ATOM 311 CE LYS A 22 -10.595 -9.999 2.624 1.00 0.00 C ATOM 312 NZ LYS A 22 -11.917 -9.760 1.982 1.00 0.00 N ATOM 0 H LYS A 22 -7.115 -8.070 3.147 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.123 -9.949 1.126 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.878 -7.062 1.406 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.788 -7.705 -0.222 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.059 -7.925 0.537 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.367 -9.533 0.447 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -8.741 -8.987 3.013 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -10.121 -7.917 2.859 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.138 -10.891 2.194 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.737 -10.195 3.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.586 -10.500 2.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.280 -8.829 2.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.810 -9.784 0.948 1.00 0.00 H new ATOM 326 N LEU A 23 -4.897 -7.561 0.606 1.00 0.00 N ATOM 327 CA LEU A 23 -3.703 -7.220 -0.160 1.00 0.00 C ATOM 328 C LEU A 23 -2.697 -8.365 -0.139 1.00 0.00 C ATOM 329 O LEU A 23 -2.113 -8.712 -1.167 1.00 0.00 O ATOM 330 CB LEU A 23 -3.059 -5.950 0.400 1.00 0.00 C ATOM 331 CG LEU A 23 -4.004 -4.775 0.654 1.00 0.00 C ATOM 332 CD1 LEU A 23 -3.233 -3.575 1.182 1.00 0.00 C ATOM 333 CD2 LEU A 23 -4.756 -4.410 -0.617 1.00 0.00 C ATOM 0 H LEU A 23 -5.155 -6.873 1.314 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.003 -7.043 -1.193 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.563 -6.201 1.338 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.284 -5.624 -0.293 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.731 -5.075 1.409 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.922 -2.748 1.357 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.741 -3.842 2.117 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.483 -3.274 0.451 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.424 -3.572 -0.417 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.044 -4.129 -1.393 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.340 -5.267 -0.953 1.00 0.00 H new ATOM 345 N LEU A 24 -2.500 -8.951 1.036 1.00 0.00 N ATOM 346 CA LEU A 24 -1.565 -10.061 1.191 1.00 0.00 C ATOM 347 C LEU A 24 -1.968 -11.240 0.311 1.00 0.00 C ATOM 348 O LEU A 24 -1.191 -12.173 0.112 1.00 0.00 O ATOM 349 CB LEU A 24 -1.503 -10.501 2.655 1.00 0.00 C ATOM 350 CG LEU A 24 -0.900 -9.492 3.633 1.00 0.00 C ATOM 351 CD1 LEU A 24 -1.236 -9.873 5.067 1.00 0.00 C ATOM 352 CD2 LEU A 24 0.607 -9.400 3.444 1.00 0.00 C ATOM 0 H LEU A 24 -2.975 -8.677 1.896 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.579 -9.719 0.878 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.514 -10.738 2.986 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.925 -11.423 2.712 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.332 -8.513 3.427 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.799 -9.144 5.749 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.318 -9.887 5.196 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.832 -10.862 5.285 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.019 -8.677 4.148 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.056 -10.377 3.622 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.827 -9.080 2.426 1.00 0.00 H new ATOM 364 N ARG A 25 -3.188 -11.189 -0.215 1.00 0.00 N ATOM 365 CA ARG A 25 -3.694 -12.251 -1.075 1.00 0.00 C ATOM 366 C ARG A 25 -4.007 -11.719 -2.470 1.00 0.00 C ATOM 367 O ARG A 25 -4.973 -12.143 -3.104 1.00 0.00 O ATOM 368 CB ARG A 25 -4.949 -12.877 -0.463 1.00 0.00 C ATOM 369 CG ARG A 25 -4.730 -13.444 0.930 1.00 0.00 C ATOM 370 CD ARG A 25 -5.923 -14.266 1.391 1.00 0.00 C ATOM 371 NE ARG A 25 -5.864 -15.640 0.900 1.00 0.00 N ATOM 372 CZ ARG A 25 -5.246 -16.625 1.544 1.00 0.00 C ATOM 373 NH1 ARG A 25 -4.639 -16.387 2.699 1.00 0.00 N ATOM 374 NH2 ARG A 25 -5.236 -17.849 1.033 1.00 0.00 N ATOM 0 H ARG A 25 -3.844 -10.423 -0.060 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.920 -13.014 -1.161 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.736 -12.124 -0.420 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.304 -13.672 -1.118 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.835 -14.066 0.934 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.555 -12.629 1.632 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.960 -14.272 2.480 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.843 -13.796 1.043 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.322 -15.856 0.015 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.646 -15.447 3.095 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.165 -17.144 3.192 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.703 -18.035 0.145 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.762 -18.604 1.528 1.00 0.00 H new ATOM 388 N GLU A 26 -3.182 -10.789 -2.942 1.00 0.00 N ATOM 389 CA GLU A 26 -3.373 -10.199 -4.262 1.00 0.00 C ATOM 390 C GLU A 26 -2.162 -10.460 -5.154 1.00 0.00 C ATOM 391 O GLU A 26 -1.852 -9.668 -6.043 1.00 0.00 O ATOM 392 CB GLU A 26 -3.616 -8.693 -4.141 1.00 0.00 C ATOM 393 CG GLU A 26 -5.046 -8.335 -3.772 1.00 0.00 C ATOM 394 CD GLU A 26 -6.016 -8.556 -4.917 1.00 0.00 C ATOM 395 OE1 GLU A 26 -5.733 -8.078 -6.035 1.00 0.00 O ATOM 396 OE2 GLU A 26 -7.058 -9.206 -4.693 1.00 0.00 O ATOM 0 H GLU A 26 -2.376 -10.429 -2.431 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.246 -10.665 -4.718 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.942 -8.284 -3.388 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -3.364 -8.216 -5.088 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.357 -8.934 -2.916 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.087 -7.291 -3.462 1.00 0.00 H new ATOM 403 N GLU A 27 -1.483 -11.576 -4.908 1.00 0.00 N ATOM 404 CA GLU A 27 -0.306 -11.940 -5.688 1.00 0.00 C ATOM 405 C GLU A 27 0.611 -10.737 -5.884 1.00 0.00 C ATOM 406 O GLU A 27 1.380 -10.677 -6.844 1.00 0.00 O ATOM 407 CB GLU A 27 -0.723 -12.504 -7.049 1.00 0.00 C ATOM 408 CG GLU A 27 0.287 -13.472 -7.642 1.00 0.00 C ATOM 409 CD GLU A 27 0.199 -14.855 -7.026 1.00 0.00 C ATOM 410 OE1 GLU A 27 0.565 -15.002 -5.842 1.00 0.00 O ATOM 411 OE2 GLU A 27 -0.235 -15.790 -7.731 1.00 0.00 O ATOM 0 H GLU A 27 -1.727 -12.243 -4.176 1.00 0.00 H new ATOM 0 HA GLU A 27 0.240 -12.705 -5.137 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.682 -13.012 -6.944 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.874 -11.678 -7.744 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.126 -13.546 -8.717 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.292 -13.077 -7.497 1.00 0.00 H new ATOM 418 N ASP A 28 0.524 -9.779 -4.967 1.00 0.00 N ATOM 419 CA ASP A 28 1.346 -8.576 -5.037 1.00 0.00 C ATOM 420 C ASP A 28 2.156 -8.397 -3.757 1.00 0.00 C ATOM 421 O ASP A 28 3.308 -7.967 -3.795 1.00 0.00 O ATOM 422 CB ASP A 28 0.469 -7.347 -5.277 1.00 0.00 C ATOM 423 CG ASP A 28 -0.760 -7.330 -4.389 1.00 0.00 C ATOM 424 OD1 ASP A 28 -0.698 -7.898 -3.279 1.00 0.00 O ATOM 425 OD2 ASP A 28 -1.785 -6.749 -4.805 1.00 0.00 O ATOM 0 H ASP A 28 -0.107 -9.812 -4.167 1.00 0.00 H new ATOM 0 HA ASP A 28 2.039 -8.686 -5.871 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.055 -6.446 -5.098 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.159 -7.324 -6.322 1.00 0.00 H new ATOM 430 N ASN A 29 1.544 -8.727 -2.624 1.00 0.00 N ATOM 431 CA ASN A 29 2.208 -8.601 -1.332 1.00 0.00 C ATOM 432 C ASN A 29 2.358 -9.963 -0.661 1.00 0.00 C ATOM 433 O ASN A 29 2.516 -10.055 0.556 1.00 0.00 O ATOM 434 CB ASN A 29 1.421 -7.656 -0.421 1.00 0.00 C ATOM 435 CG ASN A 29 1.136 -6.321 -1.082 1.00 0.00 C ATOM 436 OD1 ASN A 29 2.048 -5.535 -1.337 1.00 0.00 O ATOM 437 ND2 ASN A 29 -0.136 -6.059 -1.361 1.00 0.00 N ATOM 0 H ASN A 29 0.590 -9.084 -2.575 1.00 0.00 H new ATOM 0 HA ASN A 29 3.202 -8.188 -1.502 1.00 0.00 H new ATOM 0 HB2 ASN A 29 0.479 -8.127 -0.139 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.982 -7.491 0.499 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.389 -5.176 -1.805 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.859 -6.741 -1.132 1.00 0.00 H new ATOM 444 N LYS A 30 2.308 -11.020 -1.465 1.00 0.00 N ATOM 445 CA LYS A 30 2.440 -12.379 -0.952 1.00 0.00 C ATOM 446 C LYS A 30 3.791 -12.573 -0.270 1.00 0.00 C ATOM 447 O LYS A 30 3.917 -13.369 0.662 1.00 0.00 O ATOM 448 CB LYS A 30 2.279 -13.392 -2.087 1.00 0.00 C ATOM 449 CG LYS A 30 0.877 -13.438 -2.667 1.00 0.00 C ATOM 450 CD LYS A 30 -0.065 -14.242 -1.788 1.00 0.00 C ATOM 451 CE LYS A 30 -0.086 -15.709 -2.189 1.00 0.00 C ATOM 452 NZ LYS A 30 -0.907 -15.939 -3.409 1.00 0.00 N ATOM 0 H LYS A 30 2.177 -10.962 -2.475 1.00 0.00 H new ATOM 0 HA LYS A 30 1.654 -12.541 -0.215 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.984 -13.149 -2.882 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.543 -14.383 -1.718 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.495 -12.423 -2.778 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.909 -13.877 -3.664 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.243 -14.153 -0.746 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.072 -13.830 -1.859 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.933 -16.051 -2.368 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.483 -16.305 -1.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.108 -16.955 -3.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.802 -15.415 -3.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.386 -15.608 -4.246 1.00 0.00 H new ATOM 466 N TYR A 31 4.796 -11.842 -0.738 1.00 0.00 N ATOM 467 CA TYR A 31 6.137 -11.936 -0.173 1.00 0.00 C ATOM 468 C TYR A 31 6.725 -10.548 0.067 1.00 0.00 C ATOM 469 O TYR A 31 6.220 -9.549 -0.446 1.00 0.00 O ATOM 470 CB TYR A 31 7.050 -12.735 -1.104 1.00 0.00 C ATOM 471 CG TYR A 31 6.338 -13.844 -1.845 1.00 0.00 C ATOM 472 CD1 TYR A 31 5.581 -14.787 -1.162 1.00 0.00 C ATOM 473 CD2 TYR A 31 6.424 -13.949 -3.228 1.00 0.00 C ATOM 474 CE1 TYR A 31 4.929 -15.803 -1.835 1.00 0.00 C ATOM 475 CE2 TYR A 31 5.775 -14.960 -3.909 1.00 0.00 C ATOM 476 CZ TYR A 31 5.028 -15.885 -3.209 1.00 0.00 C ATOM 477 OH TYR A 31 4.381 -16.894 -3.883 1.00 0.00 O ATOM 0 H TYR A 31 4.708 -11.178 -1.507 1.00 0.00 H new ATOM 0 HA TYR A 31 6.066 -12.451 0.785 1.00 0.00 H new ATOM 0 HB2 TYR A 31 7.500 -12.056 -1.828 1.00 0.00 H new ATOM 0 HB3 TYR A 31 7.864 -13.164 -0.520 1.00 0.00 H new ATOM 0 HD1 TYR A 31 5.500 -14.725 -0.087 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.008 -13.228 -3.780 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.345 -16.529 -1.288 1.00 0.00 H new ATOM 0 HE2 TYR A 31 5.852 -15.026 -4.984 1.00 0.00 H new ATOM 0 HH TYR A 31 4.552 -16.808 -4.844 1.00 0.00 H new ATOM 487 N CYS A 32 7.797 -10.495 0.851 1.00 0.00 N ATOM 488 CA CYS A 32 8.456 -9.232 1.160 1.00 0.00 C ATOM 489 C CYS A 32 8.813 -8.477 -0.117 1.00 0.00 C ATOM 490 O CYS A 32 8.868 -9.060 -1.200 1.00 0.00 O ATOM 491 CB CYS A 32 9.718 -9.481 1.988 1.00 0.00 C ATOM 492 SG CYS A 32 10.431 -7.977 2.728 1.00 0.00 S ATOM 0 H CYS A 32 8.227 -11.312 1.284 1.00 0.00 H new ATOM 0 HA CYS A 32 7.763 -8.622 1.740 1.00 0.00 H new ATOM 0 HB2 CYS A 32 9.484 -10.188 2.783 1.00 0.00 H new ATOM 0 HB3 CYS A 32 10.469 -9.952 1.353 1.00 0.00 H new ATOM 0 HG CYS A 32 11.219 -8.307 3.707 1.00 0.00 H new ATOM 497 N ALA A 33 9.055 -7.177 0.018 1.00 0.00 N ATOM 498 CA ALA A 33 9.409 -6.343 -1.124 1.00 0.00 C ATOM 499 C ALA A 33 10.921 -6.198 -1.250 1.00 0.00 C ATOM 500 O ALA A 33 11.415 -5.481 -2.120 1.00 0.00 O ATOM 501 CB ALA A 33 8.754 -4.975 -1.001 1.00 0.00 C ATOM 0 H ALA A 33 9.012 -6.679 0.907 1.00 0.00 H new ATOM 0 HA ALA A 33 9.041 -6.830 -2.027 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.027 -4.362 -1.860 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.671 -5.092 -0.968 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.095 -4.489 -0.087 1.00 0.00 H new ATOM 507 N ASP A 34 11.651 -6.882 -0.376 1.00 0.00 N ATOM 508 CA ASP A 34 13.109 -6.830 -0.390 1.00 0.00 C ATOM 509 C ASP A 34 13.703 -8.234 -0.449 1.00 0.00 C ATOM 510 O ASP A 34 14.312 -8.620 -1.446 1.00 0.00 O ATOM 511 CB ASP A 34 13.626 -6.095 0.848 1.00 0.00 C ATOM 512 CG ASP A 34 12.776 -4.891 1.203 1.00 0.00 C ATOM 513 OD1 ASP A 34 12.970 -3.824 0.583 1.00 0.00 O ATOM 514 OD2 ASP A 34 11.917 -5.015 2.101 1.00 0.00 O ATOM 0 H ASP A 34 11.257 -7.479 0.351 1.00 0.00 H new ATOM 0 HA ASP A 34 13.420 -6.286 -1.282 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.647 -6.783 1.693 1.00 0.00 H new ATOM 0 HB3 ASP A 34 14.653 -5.773 0.673 1.00 0.00 H new ATOM 519 N CYS A 35 13.521 -8.993 0.627 1.00 0.00 N ATOM 520 CA CYS A 35 14.040 -10.353 0.699 1.00 0.00 C ATOM 521 C CYS A 35 13.027 -11.352 0.145 1.00 0.00 C ATOM 522 O CYS A 35 13.309 -12.546 0.047 1.00 0.00 O ATOM 523 CB CYS A 35 14.387 -10.713 2.145 1.00 0.00 C ATOM 524 SG CYS A 35 12.937 -10.935 3.225 1.00 0.00 S ATOM 0 H CYS A 35 13.018 -8.689 1.461 1.00 0.00 H new ATOM 0 HA CYS A 35 14.944 -10.403 0.092 1.00 0.00 H new ATOM 0 HB2 CYS A 35 14.973 -11.632 2.149 1.00 0.00 H new ATOM 0 HB3 CYS A 35 15.020 -9.929 2.561 1.00 0.00 H new ATOM 0 HG CYS A 35 12.112 -9.946 3.052 1.00 0.00 H new ATOM 529 N GLU A 36 11.849 -10.853 -0.216 1.00 0.00 N ATOM 530 CA GLU A 36 10.795 -11.701 -0.760 1.00 0.00 C ATOM 531 C GLU A 36 10.529 -12.892 0.156 1.00 0.00 C ATOM 532 O GLU A 36 10.299 -14.008 -0.309 1.00 0.00 O ATOM 533 CB GLU A 36 11.177 -12.194 -2.157 1.00 0.00 C ATOM 534 CG GLU A 36 11.183 -11.098 -3.209 1.00 0.00 C ATOM 535 CD GLU A 36 11.700 -11.579 -4.551 1.00 0.00 C ATOM 536 OE1 GLU A 36 12.501 -12.537 -4.570 1.00 0.00 O ATOM 537 OE2 GLU A 36 11.302 -10.998 -5.582 1.00 0.00 O ATOM 0 H GLU A 36 11.601 -9.866 -0.142 1.00 0.00 H new ATOM 0 HA GLU A 36 9.884 -11.106 -0.829 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.166 -12.650 -2.114 1.00 0.00 H new ATOM 0 HB3 GLU A 36 10.479 -12.974 -2.461 1.00 0.00 H new ATOM 0 HG2 GLU A 36 10.171 -10.712 -3.331 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.801 -10.270 -2.862 1.00 0.00 H new ATOM 544 N ALA A 37 10.562 -12.646 1.462 1.00 0.00 N ATOM 545 CA ALA A 37 10.322 -13.696 2.444 1.00 0.00 C ATOM 546 C ALA A 37 8.865 -14.145 2.424 1.00 0.00 C ATOM 547 O ALA A 37 7.950 -13.322 2.461 1.00 0.00 O ATOM 548 CB ALA A 37 10.710 -13.217 3.835 1.00 0.00 C ATOM 0 H ALA A 37 10.753 -11.728 1.864 1.00 0.00 H new ATOM 0 HA ALA A 37 10.942 -14.553 2.181 1.00 0.00 H new ATOM 0 HB1 ALA A 37 10.525 -14.011 4.558 1.00 0.00 H new ATOM 0 HB2 ALA A 37 11.768 -12.954 3.847 1.00 0.00 H new ATOM 0 HB3 ALA A 37 10.115 -12.342 4.098 1.00 0.00 H new ATOM 554 N LYS A 38 8.655 -15.456 2.363 1.00 0.00 N ATOM 555 CA LYS A 38 7.309 -16.015 2.339 1.00 0.00 C ATOM 556 C LYS A 38 6.587 -15.755 3.657 1.00 0.00 C ATOM 557 O LYS A 38 7.011 -16.226 4.712 1.00 0.00 O ATOM 558 CB LYS A 38 7.364 -17.519 2.064 1.00 0.00 C ATOM 559 CG LYS A 38 7.347 -17.869 0.586 1.00 0.00 C ATOM 560 CD LYS A 38 7.084 -19.349 0.365 1.00 0.00 C ATOM 561 CE LYS A 38 7.168 -19.717 -1.108 1.00 0.00 C ATOM 562 NZ LYS A 38 8.528 -19.472 -1.664 1.00 0.00 N ATOM 0 H LYS A 38 9.401 -16.151 2.329 1.00 0.00 H new ATOM 0 HA LYS A 38 6.754 -15.525 1.539 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.267 -17.929 2.515 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.517 -18.000 2.552 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.579 -17.283 0.082 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.302 -17.597 0.136 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.808 -19.936 0.930 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.097 -19.605 0.749 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.907 -20.768 -1.235 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.436 -19.137 -1.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.629 -19.974 -2.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.662 -18.452 -1.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.244 -19.818 -0.994 1.00 0.00 H new ATOM 576 N GLY A 39 5.493 -15.003 3.589 1.00 0.00 N ATOM 577 CA GLY A 39 4.729 -14.695 4.784 1.00 0.00 C ATOM 578 C GLY A 39 5.060 -13.326 5.347 1.00 0.00 C ATOM 579 O GLY A 39 5.492 -13.190 6.492 1.00 0.00 O ATOM 0 H GLY A 39 5.122 -14.602 2.728 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.665 -14.742 4.553 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.925 -15.453 5.542 1.00 0.00 H new ATOM 583 N PRO A 40 4.857 -12.282 4.530 1.00 0.00 N ATOM 584 CA PRO A 40 5.131 -10.899 4.931 1.00 0.00 C ATOM 585 C PRO A 40 4.148 -10.394 5.981 1.00 0.00 C ATOM 586 O PRO A 40 3.127 -9.790 5.650 1.00 0.00 O ATOM 587 CB PRO A 40 4.972 -10.113 3.627 1.00 0.00 C ATOM 588 CG PRO A 40 4.050 -10.939 2.798 1.00 0.00 C ATOM 589 CD PRO A 40 4.344 -12.370 3.153 1.00 0.00 C ATOM 0 HA PRO A 40 6.114 -10.795 5.390 1.00 0.00 H new ATOM 0 HB2 PRO A 40 4.559 -9.121 3.810 1.00 0.00 H new ATOM 0 HB3 PRO A 40 5.932 -9.971 3.130 1.00 0.00 H new ATOM 0 HG2 PRO A 40 3.009 -10.691 3.007 1.00 0.00 H new ATOM 0 HG3 PRO A 40 4.213 -10.759 1.735 1.00 0.00 H new ATOM 0 HD2 PRO A 40 3.449 -12.990 3.097 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.079 -12.809 2.478 1.00 0.00 H new ATOM 597 N ARG A 41 4.462 -10.644 7.248 1.00 0.00 N ATOM 598 CA ARG A 41 3.605 -10.215 8.347 1.00 0.00 C ATOM 599 C ARG A 41 3.592 -8.693 8.464 1.00 0.00 C ATOM 600 O ARG A 41 2.588 -8.047 8.164 1.00 0.00 O ATOM 601 CB ARG A 41 4.078 -10.834 9.663 1.00 0.00 C ATOM 602 CG ARG A 41 2.952 -11.110 10.646 1.00 0.00 C ATOM 603 CD ARG A 41 2.242 -9.829 11.053 1.00 0.00 C ATOM 604 NE ARG A 41 1.646 -9.931 12.382 1.00 0.00 N ATOM 605 CZ ARG A 41 0.549 -10.634 12.644 1.00 0.00 C ATOM 606 NH1 ARG A 41 -0.068 -11.293 11.673 1.00 0.00 N ATOM 607 NH2 ARG A 41 0.068 -10.679 13.880 1.00 0.00 N ATOM 0 H ARG A 41 5.304 -11.141 7.539 1.00 0.00 H new ATOM 0 HA ARG A 41 2.591 -10.555 8.138 1.00 0.00 H new ATOM 0 HB2 ARG A 41 4.599 -11.767 9.449 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.801 -10.165 10.130 1.00 0.00 H new ATOM 0 HG2 ARG A 41 2.235 -11.797 10.197 1.00 0.00 H new ATOM 0 HG3 ARG A 41 3.353 -11.602 11.532 1.00 0.00 H new ATOM 0 HD2 ARG A 41 2.951 -9.001 11.036 1.00 0.00 H new ATOM 0 HD3 ARG A 41 1.465 -9.598 10.324 1.00 0.00 H new ATOM 0 HE ARG A 41 2.096 -9.436 13.152 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.299 -11.261 10.722 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.910 -11.832 11.877 1.00 0.00 H new ATOM 0 HH21 ARG A 41 0.540 -10.174 14.630 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.774 -11.219 14.080 1.00 0.00 H new ATOM 621 N TRP A 42 4.711 -8.130 8.902 1.00 0.00 N ATOM 622 CA TRP A 42 4.828 -6.684 9.060 1.00 0.00 C ATOM 623 C TRP A 42 4.602 -5.972 7.730 1.00 0.00 C ATOM 624 O TRP A 42 4.591 -6.601 6.673 1.00 0.00 O ATOM 625 CB TRP A 42 6.204 -6.321 9.620 1.00 0.00 C ATOM 626 CG TRP A 42 6.445 -6.859 10.998 1.00 0.00 C ATOM 627 CD1 TRP A 42 6.636 -8.165 11.346 1.00 0.00 C ATOM 628 CD2 TRP A 42 6.518 -6.103 12.212 1.00 0.00 C ATOM 629 NE1 TRP A 42 6.824 -8.268 12.703 1.00 0.00 N ATOM 630 CE2 TRP A 42 6.757 -7.017 13.257 1.00 0.00 C ATOM 631 CE3 TRP A 42 6.407 -4.744 12.518 1.00 0.00 C ATOM 632 CZ2 TRP A 42 6.885 -6.613 14.584 1.00 0.00 C ATOM 633 CZ3 TRP A 42 6.534 -4.345 13.834 1.00 0.00 C ATOM 634 CH2 TRP A 42 6.772 -5.276 14.854 1.00 0.00 C ATOM 0 H TRP A 42 5.551 -8.651 9.154 1.00 0.00 H new ATOM 0 HA TRP A 42 4.061 -6.356 9.762 1.00 0.00 H new ATOM 0 HB2 TRP A 42 6.974 -6.702 8.949 1.00 0.00 H new ATOM 0 HB3 TRP A 42 6.306 -5.236 9.638 1.00 0.00 H new ATOM 0 HD1 TRP A 42 6.639 -8.996 10.656 1.00 0.00 H new ATOM 0 HE1 TRP A 42 6.987 -9.135 13.215 1.00 0.00 H new ATOM 0 HE3 TRP A 42 6.225 -4.018 11.739 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 7.067 -7.329 15.372 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 6.448 -3.297 14.081 1.00 0.00 H new ATOM 0 HH2 TRP A 42 6.868 -4.932 15.873 1.00 0.00 H new ATOM 645 N ALA A 43 4.424 -4.657 7.792 1.00 0.00 N ATOM 646 CA ALA A 43 4.201 -3.859 6.592 1.00 0.00 C ATOM 647 C ALA A 43 4.415 -2.375 6.871 1.00 0.00 C ATOM 648 O ALA A 43 3.881 -1.833 7.840 1.00 0.00 O ATOM 649 CB ALA A 43 2.800 -4.100 6.051 1.00 0.00 C ATOM 0 H ALA A 43 4.430 -4.121 8.660 1.00 0.00 H new ATOM 0 HA ALA A 43 4.927 -4.168 5.840 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.647 -3.498 5.155 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.682 -5.155 5.804 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.065 -3.820 6.806 1.00 0.00 H new ATOM 655 N SER A 44 5.198 -1.724 6.018 1.00 0.00 N ATOM 656 CA SER A 44 5.486 -0.303 6.176 1.00 0.00 C ATOM 657 C SER A 44 4.447 0.546 5.449 1.00 0.00 C ATOM 658 O SER A 44 4.366 0.530 4.221 1.00 0.00 O ATOM 659 CB SER A 44 6.884 0.018 5.646 1.00 0.00 C ATOM 660 OG SER A 44 7.856 -0.094 6.671 1.00 0.00 O ATOM 0 H SER A 44 5.645 -2.157 5.210 1.00 0.00 H new ATOM 0 HA SER A 44 5.445 -0.066 7.239 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.132 -0.661 4.830 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.898 1.028 5.236 1.00 0.00 H new ATOM 0 HG SER A 44 7.700 0.598 7.347 1.00 0.00 H new ATOM 666 N TRP A 45 3.655 1.285 6.217 1.00 0.00 N ATOM 667 CA TRP A 45 2.620 2.141 5.647 1.00 0.00 C ATOM 668 C TRP A 45 3.234 3.367 4.981 1.00 0.00 C ATOM 669 O TRP A 45 2.927 3.680 3.831 1.00 0.00 O ATOM 670 CB TRP A 45 1.633 2.575 6.732 1.00 0.00 C ATOM 671 CG TRP A 45 2.248 3.457 7.776 1.00 0.00 C ATOM 672 CD1 TRP A 45 2.830 3.059 8.945 1.00 0.00 C ATOM 673 CD2 TRP A 45 2.340 4.885 7.745 1.00 0.00 C ATOM 674 NE1 TRP A 45 3.279 4.154 9.644 1.00 0.00 N ATOM 675 CE2 TRP A 45 2.991 5.286 8.929 1.00 0.00 C ATOM 676 CE3 TRP A 45 1.938 5.864 6.833 1.00 0.00 C ATOM 677 CZ2 TRP A 45 3.246 6.623 9.221 1.00 0.00 C ATOM 678 CZ3 TRP A 45 2.192 7.191 7.125 1.00 0.00 C ATOM 679 CH2 TRP A 45 2.841 7.561 8.310 1.00 0.00 C ATOM 0 H TRP A 45 3.709 1.309 7.235 1.00 0.00 H new ATOM 0 HA TRP A 45 2.086 1.568 4.889 1.00 0.00 H new ATOM 0 HB2 TRP A 45 0.800 3.102 6.266 1.00 0.00 H new ATOM 0 HB3 TRP A 45 1.220 1.688 7.213 1.00 0.00 H new ATOM 0 HD1 TRP A 45 2.924 2.034 9.273 1.00 0.00 H new ATOM 0 HE1 TRP A 45 3.750 4.128 10.548 1.00 0.00 H new ATOM 0 HE3 TRP A 45 1.438 5.589 5.916 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 3.746 6.910 10.134 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 1.885 7.956 6.427 1.00 0.00 H new ATOM 0 HH2 TRP A 45 3.025 8.606 8.509 1.00 0.00 H new ATOM 690 N ASN A 46 4.104 4.059 5.711 1.00 0.00 N ATOM 691 CA ASN A 46 4.761 5.252 5.189 1.00 0.00 C ATOM 692 C ASN A 46 5.249 5.024 3.762 1.00 0.00 C ATOM 693 O ASN A 46 5.288 5.952 2.953 1.00 0.00 O ATOM 694 CB ASN A 46 5.936 5.645 6.086 1.00 0.00 C ATOM 695 CG ASN A 46 7.236 4.992 5.656 1.00 0.00 C ATOM 696 OD1 ASN A 46 7.581 3.906 6.120 1.00 0.00 O ATOM 697 ND2 ASN A 46 7.963 5.655 4.764 1.00 0.00 N ATOM 0 H ASN A 46 4.370 3.814 6.665 1.00 0.00 H new ATOM 0 HA ASN A 46 4.033 6.063 5.179 1.00 0.00 H new ATOM 0 HB2 ASN A 46 6.055 6.728 6.071 1.00 0.00 H new ATOM 0 HB3 ASN A 46 5.714 5.363 7.115 1.00 0.00 H new ATOM 0 HD21 ASN A 46 8.847 5.266 4.436 1.00 0.00 H new ATOM 0 HD22 ASN A 46 7.637 6.553 4.407 1.00 0.00 H new ATOM 704 N ILE A 47 5.621 3.785 3.461 1.00 0.00 N ATOM 705 CA ILE A 47 6.106 3.435 2.131 1.00 0.00 C ATOM 706 C ILE A 47 4.993 2.830 1.282 1.00 0.00 C ATOM 707 O ILE A 47 4.879 3.118 0.092 1.00 0.00 O ATOM 708 CB ILE A 47 7.280 2.442 2.203 1.00 0.00 C ATOM 709 CG1 ILE A 47 8.500 3.106 2.844 1.00 0.00 C ATOM 710 CG2 ILE A 47 7.621 1.923 0.814 1.00 0.00 C ATOM 711 CD1 ILE A 47 9.623 2.140 3.150 1.00 0.00 C ATOM 0 H ILE A 47 5.596 3.006 4.119 1.00 0.00 H new ATOM 0 HA ILE A 47 6.451 4.359 1.668 1.00 0.00 H new ATOM 0 HB ILE A 47 6.983 1.596 2.823 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.872 3.884 2.177 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.193 3.598 3.767 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.453 1.222 0.882 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.753 1.416 0.392 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.902 2.758 0.172 1.00 0.00 H new ATOM 0 HD11 ILE A 47 10.454 2.680 3.603 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.267 1.376 3.841 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.957 1.667 2.227 1.00 0.00 H new ATOM 723 N GLY A 48 4.172 1.989 1.905 1.00 0.00 N ATOM 724 CA GLY A 48 3.077 1.357 1.192 1.00 0.00 C ATOM 725 C GLY A 48 3.451 -0.007 0.647 1.00 0.00 C ATOM 726 O GLY A 48 3.078 -0.361 -0.472 1.00 0.00 O ATOM 0 H GLY A 48 4.246 1.734 2.890 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.222 1.256 1.861 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.764 2.000 0.370 1.00 0.00 H new ATOM 730 N VAL A 49 4.193 -0.776 1.438 1.00 0.00 N ATOM 731 CA VAL A 49 4.618 -2.109 1.029 1.00 0.00 C ATOM 732 C VAL A 49 4.689 -3.054 2.223 1.00 0.00 C ATOM 733 O VAL A 49 4.888 -2.623 3.359 1.00 0.00 O ATOM 734 CB VAL A 49 5.993 -2.071 0.336 1.00 0.00 C ATOM 735 CG1 VAL A 49 5.931 -1.226 -0.928 1.00 0.00 C ATOM 736 CG2 VAL A 49 7.055 -1.544 1.288 1.00 0.00 C ATOM 0 H VAL A 49 4.512 -0.498 2.366 1.00 0.00 H new ATOM 0 HA VAL A 49 3.873 -2.476 0.323 1.00 0.00 H new ATOM 0 HB VAL A 49 6.265 -3.087 0.052 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.911 -1.211 -1.404 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.201 -1.653 -1.615 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.636 -0.208 -0.671 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.020 -1.524 0.782 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.791 -0.535 1.605 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.117 -2.194 2.161 1.00 0.00 H new ATOM 746 N PHE A 50 4.526 -4.346 1.958 1.00 0.00 N ATOM 747 CA PHE A 50 4.571 -5.354 3.011 1.00 0.00 C ATOM 748 C PHE A 50 5.959 -5.981 3.105 1.00 0.00 C ATOM 749 O PHE A 50 6.441 -6.592 2.151 1.00 0.00 O ATOM 750 CB PHE A 50 3.525 -6.440 2.752 1.00 0.00 C ATOM 751 CG PHE A 50 2.110 -5.947 2.858 1.00 0.00 C ATOM 752 CD1 PHE A 50 1.488 -5.350 1.774 1.00 0.00 C ATOM 753 CD2 PHE A 50 1.402 -6.082 4.041 1.00 0.00 C ATOM 754 CE1 PHE A 50 0.186 -4.895 1.869 1.00 0.00 C ATOM 755 CE2 PHE A 50 0.100 -5.629 4.142 1.00 0.00 C ATOM 756 CZ PHE A 50 -0.509 -5.036 3.054 1.00 0.00 C ATOM 0 H PHE A 50 4.362 -4.720 1.023 1.00 0.00 H new ATOM 0 HA PHE A 50 4.348 -4.863 3.959 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.683 -6.855 1.757 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.673 -7.252 3.464 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.026 -5.239 0.844 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.873 -6.547 4.895 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.287 -4.430 1.017 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.440 -5.739 5.071 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.527 -4.683 3.130 1.00 0.00 H new ATOM 766 N ILE A 51 6.595 -5.824 4.261 1.00 0.00 N ATOM 767 CA ILE A 51 7.927 -6.374 4.480 1.00 0.00 C ATOM 768 C ILE A 51 7.935 -7.339 5.661 1.00 0.00 C ATOM 769 O ILE A 51 7.006 -7.358 6.469 1.00 0.00 O ATOM 770 CB ILE A 51 8.961 -5.262 4.734 1.00 0.00 C ATOM 771 CG1 ILE A 51 8.465 -4.313 5.827 1.00 0.00 C ATOM 772 CG2 ILE A 51 9.242 -4.497 3.449 1.00 0.00 C ATOM 773 CD1 ILE A 51 9.492 -3.286 6.247 1.00 0.00 C ATOM 0 H ILE A 51 6.210 -5.321 5.060 1.00 0.00 H new ATOM 0 HA ILE A 51 8.200 -6.911 3.572 1.00 0.00 H new ATOM 0 HB ILE A 51 9.890 -5.721 5.072 1.00 0.00 H new ATOM 0 HG12 ILE A 51 7.572 -3.798 5.472 1.00 0.00 H new ATOM 0 HG13 ILE A 51 8.170 -4.898 6.698 1.00 0.00 H new ATOM 0 HG21 ILE A 51 9.975 -3.714 3.644 1.00 0.00 H new ATOM 0 HG22 ILE A 51 9.634 -5.181 2.696 1.00 0.00 H new ATOM 0 HG23 ILE A 51 8.319 -4.047 3.084 1.00 0.00 H new ATOM 0 HD11 ILE A 51 9.072 -2.648 7.024 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.377 -3.793 6.633 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.769 -2.676 5.387 1.00 0.00 H new ATOM 785 N CYS A 52 8.992 -8.139 5.757 1.00 0.00 N ATOM 786 CA CYS A 52 9.124 -9.107 6.839 1.00 0.00 C ATOM 787 C CYS A 52 9.653 -8.438 8.105 1.00 0.00 C ATOM 788 O CYS A 52 9.957 -7.245 8.108 1.00 0.00 O ATOM 789 CB CYS A 52 10.057 -10.246 6.423 1.00 0.00 C ATOM 790 SG CYS A 52 11.769 -9.720 6.089 1.00 0.00 S ATOM 0 H CYS A 52 9.770 -8.136 5.098 1.00 0.00 H new ATOM 0 HA CYS A 52 8.136 -9.515 7.050 1.00 0.00 H new ATOM 0 HB2 CYS A 52 10.067 -10.999 7.211 1.00 0.00 H new ATOM 0 HB3 CYS A 52 9.654 -10.724 5.530 1.00 0.00 H new ATOM 0 HG CYS A 52 12.275 -10.461 5.149 1.00 0.00 H new ATOM 795 N ILE A 53 9.760 -9.215 9.177 1.00 0.00 N ATOM 796 CA ILE A 53 10.254 -8.699 10.448 1.00 0.00 C ATOM 797 C ILE A 53 11.712 -8.267 10.337 1.00 0.00 C ATOM 798 O ILE A 53 12.080 -7.173 10.765 1.00 0.00 O ATOM 799 CB ILE A 53 10.125 -9.747 11.569 1.00 0.00 C ATOM 800 CG1 ILE A 53 10.707 -9.202 12.875 1.00 0.00 C ATOM 801 CG2 ILE A 53 10.822 -11.039 11.170 1.00 0.00 C ATOM 802 CD1 ILE A 53 10.047 -7.924 13.345 1.00 0.00 C ATOM 0 H ILE A 53 9.511 -10.204 9.191 1.00 0.00 H new ATOM 0 HA ILE A 53 9.639 -7.834 10.697 1.00 0.00 H new ATOM 0 HB ILE A 53 9.068 -9.962 11.726 1.00 0.00 H new ATOM 0 HG12 ILE A 53 10.607 -9.960 13.652 1.00 0.00 H new ATOM 0 HG13 ILE A 53 11.774 -9.022 12.741 1.00 0.00 H new ATOM 0 HG21 ILE A 53 10.722 -11.769 11.973 1.00 0.00 H new ATOM 0 HG22 ILE A 53 10.366 -11.433 10.262 1.00 0.00 H new ATOM 0 HG23 ILE A 53 11.879 -10.842 10.989 1.00 0.00 H new ATOM 0 HD11 ILE A 53 10.510 -7.596 14.276 1.00 0.00 H new ATOM 0 HD12 ILE A 53 10.170 -7.151 12.587 1.00 0.00 H new ATOM 0 HD13 ILE A 53 8.985 -8.103 13.512 1.00 0.00 H new ATOM 814 N ARG A 54 12.537 -9.133 9.758 1.00 0.00 N ATOM 815 CA ARG A 54 13.956 -8.840 9.589 1.00 0.00 C ATOM 816 C ARG A 54 14.156 -7.474 8.939 1.00 0.00 C ATOM 817 O ARG A 54 14.745 -6.572 9.534 1.00 0.00 O ATOM 818 CB ARG A 54 14.624 -9.923 8.741 1.00 0.00 C ATOM 819 CG ARG A 54 16.132 -9.766 8.630 1.00 0.00 C ATOM 820 CD ARG A 54 16.518 -8.930 7.420 1.00 0.00 C ATOM 821 NE ARG A 54 16.217 -9.612 6.165 1.00 0.00 N ATOM 822 CZ ARG A 54 17.041 -10.476 5.582 1.00 0.00 C ATOM 823 NH1 ARG A 54 18.210 -10.761 6.140 1.00 0.00 N ATOM 824 NH2 ARG A 54 16.697 -11.057 4.440 1.00 0.00 N ATOM 0 H ARG A 54 12.248 -10.043 9.398 1.00 0.00 H new ATOM 0 HA ARG A 54 14.418 -8.824 10.576 1.00 0.00 H new ATOM 0 HB2 ARG A 54 14.400 -10.899 9.171 1.00 0.00 H new ATOM 0 HB3 ARG A 54 14.191 -9.908 7.741 1.00 0.00 H new ATOM 0 HG2 ARG A 54 16.518 -9.297 9.535 1.00 0.00 H new ATOM 0 HG3 ARG A 54 16.597 -10.749 8.557 1.00 0.00 H new ATOM 0 HD2 ARG A 54 15.987 -7.979 7.452 1.00 0.00 H new ATOM 0 HD3 ARG A 54 17.583 -8.702 7.462 1.00 0.00 H new ATOM 0 HE ARG A 54 15.325 -9.414 5.711 1.00 0.00 H new ATOM 0 HH11 ARG A 54 18.478 -10.317 7.018 1.00 0.00 H new ATOM 0 HH12 ARG A 54 18.841 -11.425 5.691 1.00 0.00 H new ATOM 0 HH21 ARG A 54 15.799 -10.841 4.008 1.00 0.00 H new ATOM 0 HH22 ARG A 54 17.331 -11.720 3.994 1.00 0.00 H new ATOM 838 N CYS A 55 13.662 -7.330 7.714 1.00 0.00 N ATOM 839 CA CYS A 55 13.786 -6.075 6.982 1.00 0.00 C ATOM 840 C CYS A 55 13.235 -4.911 7.799 1.00 0.00 C ATOM 841 O CYS A 55 13.858 -3.854 7.892 1.00 0.00 O ATOM 842 CB CYS A 55 13.050 -6.167 5.643 1.00 0.00 C ATOM 843 SG CYS A 55 13.873 -7.228 4.413 1.00 0.00 S ATOM 0 H CYS A 55 13.172 -8.067 7.207 1.00 0.00 H new ATOM 0 HA CYS A 55 14.845 -5.895 6.796 1.00 0.00 H new ATOM 0 HB2 CYS A 55 12.044 -6.547 5.819 1.00 0.00 H new ATOM 0 HB3 CYS A 55 12.944 -5.164 5.229 1.00 0.00 H new ATOM 0 HG CYS A 55 13.454 -8.451 4.545 1.00 0.00 H new ATOM 848 N ALA A 56 12.062 -5.113 8.391 1.00 0.00 N ATOM 849 CA ALA A 56 11.427 -4.082 9.202 1.00 0.00 C ATOM 850 C ALA A 56 12.424 -3.457 10.173 1.00 0.00 C ATOM 851 O ALA A 56 12.576 -2.238 10.222 1.00 0.00 O ATOM 852 CB ALA A 56 10.242 -4.662 9.960 1.00 0.00 C ATOM 0 H ALA A 56 11.532 -5.982 8.324 1.00 0.00 H new ATOM 0 HA ALA A 56 11.069 -3.298 8.535 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.777 -3.881 10.562 1.00 0.00 H new ATOM 0 HB2 ALA A 56 9.514 -5.055 9.251 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.585 -5.466 10.611 1.00 0.00 H new ATOM 858 N GLY A 57 13.100 -4.302 10.946 1.00 0.00 N ATOM 859 CA GLY A 57 14.072 -3.813 11.906 1.00 0.00 C ATOM 860 C GLY A 57 14.956 -2.723 11.332 1.00 0.00 C ATOM 861 O GLY A 57 15.139 -1.674 11.951 1.00 0.00 O ATOM 0 H GLY A 57 12.992 -5.316 10.924 1.00 0.00 H new ATOM 0 HA2 GLY A 57 13.551 -3.429 12.783 1.00 0.00 H new ATOM 0 HA3 GLY A 57 14.695 -4.642 12.242 1.00 0.00 H new ATOM 865 N ILE A 58 15.505 -2.971 10.148 1.00 0.00 N ATOM 866 CA ILE A 58 16.375 -2.002 9.492 1.00 0.00 C ATOM 867 C ILE A 58 15.624 -0.711 9.183 1.00 0.00 C ATOM 868 O ILE A 58 16.133 0.386 9.412 1.00 0.00 O ATOM 869 CB ILE A 58 16.962 -2.567 8.186 1.00 0.00 C ATOM 870 CG1 ILE A 58 17.778 -3.829 8.472 1.00 0.00 C ATOM 871 CG2 ILE A 58 17.823 -1.519 7.495 1.00 0.00 C ATOM 872 CD1 ILE A 58 16.943 -5.090 8.521 1.00 0.00 C ATOM 0 H ILE A 58 15.363 -3.834 9.623 1.00 0.00 H new ATOM 0 HA ILE A 58 17.190 -1.789 10.184 1.00 0.00 H new ATOM 0 HB ILE A 58 16.140 -2.831 7.520 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.543 -3.939 7.704 1.00 0.00 H new ATOM 0 HG13 ILE A 58 18.296 -3.709 9.423 1.00 0.00 H new ATOM 0 HG21 ILE A 58 18.231 -1.934 6.573 1.00 0.00 H new ATOM 0 HG22 ILE A 58 17.215 -0.645 7.262 1.00 0.00 H new ATOM 0 HG23 ILE A 58 18.640 -1.227 8.154 1.00 0.00 H new ATOM 0 HD11 ILE A 58 17.587 -5.945 8.728 1.00 0.00 H new ATOM 0 HD12 ILE A 58 16.195 -5.000 9.308 1.00 0.00 H new ATOM 0 HD13 ILE A 58 16.445 -5.234 7.562 1.00 0.00 H new ATOM 884 N HIS A 59 14.409 -0.850 8.662 1.00 0.00 N ATOM 885 CA HIS A 59 13.586 0.305 8.323 1.00 0.00 C ATOM 886 C HIS A 59 13.463 1.253 9.513 1.00 0.00 C ATOM 887 O HIS A 59 13.596 2.468 9.366 1.00 0.00 O ATOM 888 CB HIS A 59 12.197 -0.146 7.871 1.00 0.00 C ATOM 889 CG HIS A 59 12.146 -0.587 6.441 1.00 0.00 C ATOM 890 ND1 HIS A 59 11.695 0.223 5.419 1.00 0.00 N ATOM 891 CD2 HIS A 59 12.495 -1.760 5.862 1.00 0.00 C ATOM 892 CE1 HIS A 59 11.767 -0.434 4.275 1.00 0.00 C ATOM 893 NE2 HIS A 59 12.250 -1.639 4.517 1.00 0.00 N ATOM 0 H HIS A 59 13.973 -1.751 8.466 1.00 0.00 H new ATOM 0 HA HIS A 59 14.071 0.837 7.505 1.00 0.00 H new ATOM 0 HB2 HIS A 59 11.865 -0.966 8.508 1.00 0.00 H new ATOM 0 HB3 HIS A 59 11.493 0.674 8.015 1.00 0.00 H new ATOM 0 HD2 HIS A 59 12.892 -2.629 6.365 1.00 0.00 H new ATOM 0 HE1 HIS A 59 11.480 -0.051 3.307 1.00 0.00 H new ATOM 0 HE2 HIS A 59 12.414 -2.363 3.817 1.00 0.00 H new ATOM 901 N ARG A 60 13.210 0.689 10.689 1.00 0.00 N ATOM 902 CA ARG A 60 13.067 1.484 11.903 1.00 0.00 C ATOM 903 C ARG A 60 14.275 2.395 12.100 1.00 0.00 C ATOM 904 O ARG A 60 14.129 3.595 12.328 1.00 0.00 O ATOM 905 CB ARG A 60 12.899 0.571 13.119 1.00 0.00 C ATOM 906 CG ARG A 60 11.998 -0.626 12.862 1.00 0.00 C ATOM 907 CD ARG A 60 11.639 -1.341 14.155 1.00 0.00 C ATOM 908 NE ARG A 60 10.691 -0.574 14.959 1.00 0.00 N ATOM 909 CZ ARG A 60 10.787 -0.436 16.276 1.00 0.00 C ATOM 910 NH1 ARG A 60 11.784 -1.010 16.935 1.00 0.00 N ATOM 911 NH2 ARG A 60 9.885 0.277 16.938 1.00 0.00 N ATOM 0 H ARG A 60 13.100 -0.316 10.827 1.00 0.00 H new ATOM 0 HA ARG A 60 12.178 2.105 11.799 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.880 0.216 13.434 1.00 0.00 H new ATOM 0 HB3 ARG A 60 12.490 1.152 13.945 1.00 0.00 H new ATOM 0 HG2 ARG A 60 11.087 -0.296 12.362 1.00 0.00 H new ATOM 0 HG3 ARG A 60 12.498 -1.321 12.187 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.212 -2.317 13.923 1.00 0.00 H new ATOM 0 HD3 ARG A 60 12.545 -1.519 14.734 1.00 0.00 H new ATOM 0 HE ARG A 60 9.912 -0.119 14.482 1.00 0.00 H new ATOM 0 HH11 ARG A 60 12.480 -1.559 16.430 1.00 0.00 H new ATOM 0 HH12 ARG A 60 11.855 -0.902 17.947 1.00 0.00 H new ATOM 0 HH21 ARG A 60 9.116 0.720 16.435 1.00 0.00 H new ATOM 0 HH22 ARG A 60 9.960 0.382 17.950 1.00 0.00 H new ATOM 925 N ASN A 61 15.468 1.815 12.012 1.00 0.00 N ATOM 926 CA ASN A 61 16.702 2.574 12.182 1.00 0.00 C ATOM 927 C ASN A 61 16.734 3.777 11.244 1.00 0.00 C ATOM 928 O ASN A 61 17.013 4.900 11.665 1.00 0.00 O ATOM 929 CB ASN A 61 17.916 1.679 11.925 1.00 0.00 C ATOM 930 CG ASN A 61 18.453 1.826 10.515 1.00 0.00 C ATOM 931 OD1 ASN A 61 18.810 2.923 10.085 1.00 0.00 O ATOM 932 ND2 ASN A 61 18.513 0.717 9.786 1.00 0.00 N ATOM 0 H ASN A 61 15.606 0.822 11.824 1.00 0.00 H new ATOM 0 HA ASN A 61 16.738 2.936 13.209 1.00 0.00 H new ATOM 0 HB2 ASN A 61 18.703 1.925 12.638 1.00 0.00 H new ATOM 0 HB3 ASN A 61 17.641 0.639 12.100 1.00 0.00 H new ATOM 0 HD21 ASN A 61 18.866 0.754 8.830 1.00 0.00 H new ATOM 0 HD22 ASN A 61 18.206 -0.171 10.183 1.00 0.00 H new ATOM 939 N LEU A 62 16.447 3.534 9.970 1.00 0.00 N ATOM 940 CA LEU A 62 16.443 4.596 8.970 1.00 0.00 C ATOM 941 C LEU A 62 15.992 5.919 9.583 1.00 0.00 C ATOM 942 O LEU A 62 16.657 6.942 9.434 1.00 0.00 O ATOM 943 CB LEU A 62 15.525 4.223 7.804 1.00 0.00 C ATOM 944 CG LEU A 62 15.850 2.911 7.088 1.00 0.00 C ATOM 945 CD1 LEU A 62 15.028 2.780 5.816 1.00 0.00 C ATOM 946 CD2 LEU A 62 17.337 2.828 6.776 1.00 0.00 C ATOM 0 H LEU A 62 16.214 2.611 9.605 1.00 0.00 H new ATOM 0 HA LEU A 62 17.461 4.716 8.599 1.00 0.00 H new ATOM 0 HB2 LEU A 62 14.502 4.167 8.176 1.00 0.00 H new ATOM 0 HB3 LEU A 62 15.554 5.030 7.072 1.00 0.00 H new ATOM 0 HG LEU A 62 15.592 2.084 7.750 1.00 0.00 H new ATOM 0 HD11 LEU A 62 15.272 1.841 5.320 1.00 0.00 H new ATOM 0 HD12 LEU A 62 13.967 2.793 6.065 1.00 0.00 H new ATOM 0 HD13 LEU A 62 15.254 3.612 5.149 1.00 0.00 H new ATOM 0 HD21 LEU A 62 17.550 1.888 6.267 1.00 0.00 H new ATOM 0 HD22 LEU A 62 17.621 3.661 6.133 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.907 2.875 7.704 1.00 0.00 H new ATOM 958 N GLY A 63 14.858 5.888 10.276 1.00 0.00 N ATOM 959 CA GLY A 63 14.339 7.089 10.903 1.00 0.00 C ATOM 960 C GLY A 63 12.860 7.290 10.637 1.00 0.00 C ATOM 961 O GLY A 63 12.403 7.161 9.501 1.00 0.00 O ATOM 0 H GLY A 63 14.290 5.052 10.414 1.00 0.00 H new ATOM 0 HA2 GLY A 63 14.507 7.035 11.979 1.00 0.00 H new ATOM 0 HA3 GLY A 63 14.892 7.954 10.537 1.00 0.00 H new ATOM 965 N VAL A 64 12.109 7.606 11.687 1.00 0.00 N ATOM 966 CA VAL A 64 10.673 7.824 11.562 1.00 0.00 C ATOM 967 C VAL A 64 10.358 8.749 10.391 1.00 0.00 C ATOM 968 O VAL A 64 9.261 8.709 9.832 1.00 0.00 O ATOM 969 CB VAL A 64 10.082 8.427 12.851 1.00 0.00 C ATOM 970 CG1 VAL A 64 10.109 7.406 13.978 1.00 0.00 C ATOM 971 CG2 VAL A 64 10.837 9.687 13.244 1.00 0.00 C ATOM 0 H VAL A 64 12.471 7.717 12.634 1.00 0.00 H new ATOM 0 HA VAL A 64 10.219 6.849 11.384 1.00 0.00 H new ATOM 0 HB VAL A 64 9.043 8.698 12.662 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.688 7.849 14.880 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.520 6.534 13.693 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.138 7.102 14.169 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.406 10.100 14.156 1.00 0.00 H new ATOM 0 HG22 VAL A 64 11.886 9.444 13.415 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.761 10.422 12.442 1.00 0.00 H new ATOM 981 N HIS A 65 11.327 9.581 10.024 1.00 0.00 N ATOM 982 CA HIS A 65 11.154 10.516 8.918 1.00 0.00 C ATOM 983 C HIS A 65 11.341 9.812 7.577 1.00 0.00 C ATOM 984 O HIS A 65 10.668 10.134 6.597 1.00 0.00 O ATOM 985 CB HIS A 65 12.144 11.674 9.041 1.00 0.00 C ATOM 986 CG HIS A 65 13.563 11.232 9.225 1.00 0.00 C ATOM 987 ND1 HIS A 65 14.065 10.795 10.433 1.00 0.00 N ATOM 988 CD2 HIS A 65 14.588 11.160 8.345 1.00 0.00 C ATOM 989 CE1 HIS A 65 15.338 10.475 10.288 1.00 0.00 C ATOM 990 NE2 HIS A 65 15.680 10.686 9.030 1.00 0.00 N ATOM 0 H HIS A 65 12.240 9.627 10.476 1.00 0.00 H new ATOM 0 HA HIS A 65 10.139 10.910 8.964 1.00 0.00 H new ATOM 0 HB2 HIS A 65 12.078 12.294 8.147 1.00 0.00 H new ATOM 0 HB3 HIS A 65 11.855 12.300 9.885 1.00 0.00 H new ATOM 0 HD2 HIS A 65 14.554 11.426 7.299 1.00 0.00 H new ATOM 0 HE1 HIS A 65 15.989 10.104 11.066 1.00 0.00 H new ATOM 0 HE2 HIS A 65 16.605 10.523 8.632 1.00 0.00 H new ATOM 998 N ILE A 66 12.258 8.852 7.542 1.00 0.00 N ATOM 999 CA ILE A 66 12.533 8.103 6.322 1.00 0.00 C ATOM 1000 C ILE A 66 11.475 7.031 6.085 1.00 0.00 C ATOM 1001 O ILE A 66 10.860 6.976 5.020 1.00 0.00 O ATOM 1002 CB ILE A 66 13.921 7.437 6.370 1.00 0.00 C ATOM 1003 CG1 ILE A 66 15.021 8.491 6.229 1.00 0.00 C ATOM 1004 CG2 ILE A 66 14.043 6.387 5.277 1.00 0.00 C ATOM 1005 CD1 ILE A 66 16.348 8.061 6.815 1.00 0.00 C ATOM 0 H ILE A 66 12.823 8.574 8.344 1.00 0.00 H new ATOM 0 HA ILE A 66 12.512 8.819 5.501 1.00 0.00 H new ATOM 0 HB ILE A 66 14.038 6.943 7.335 1.00 0.00 H new ATOM 0 HG12 ILE A 66 15.157 8.723 5.173 1.00 0.00 H new ATOM 0 HG13 ILE A 66 14.698 9.410 6.718 1.00 0.00 H new ATOM 0 HG21 ILE A 66 15.029 5.926 5.324 1.00 0.00 H new ATOM 0 HG22 ILE A 66 13.278 5.624 5.419 1.00 0.00 H new ATOM 0 HG23 ILE A 66 13.909 6.858 4.303 1.00 0.00 H new ATOM 0 HD11 ILE A 66 17.081 8.857 6.679 1.00 0.00 H new ATOM 0 HD12 ILE A 66 16.227 7.857 7.879 1.00 0.00 H new ATOM 0 HD13 ILE A 66 16.694 7.159 6.310 1.00 0.00 H new ATOM 1017 N SER A 67 11.268 6.181 7.085 1.00 0.00 N ATOM 1018 CA SER A 67 10.285 5.108 6.986 1.00 0.00 C ATOM 1019 C SER A 67 9.881 4.611 8.370 1.00 0.00 C ATOM 1020 O SER A 67 10.732 4.319 9.210 1.00 0.00 O ATOM 1021 CB SER A 67 10.846 3.949 6.159 1.00 0.00 C ATOM 1022 OG SER A 67 11.179 4.372 4.849 1.00 0.00 O ATOM 0 H SER A 67 11.768 6.214 7.974 1.00 0.00 H new ATOM 0 HA SER A 67 9.400 5.505 6.489 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.731 3.543 6.649 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.112 3.145 6.109 1.00 0.00 H new ATOM 0 HG SER A 67 10.802 5.262 4.687 1.00 0.00 H new ATOM 1028 N ARG A 68 8.575 4.518 8.601 1.00 0.00 N ATOM 1029 CA ARG A 68 8.057 4.057 9.884 1.00 0.00 C ATOM 1030 C ARG A 68 7.677 2.581 9.818 1.00 0.00 C ATOM 1031 O ARG A 68 7.344 2.061 8.753 1.00 0.00 O ATOM 1032 CB ARG A 68 6.841 4.890 10.295 1.00 0.00 C ATOM 1033 CG ARG A 68 7.202 6.231 10.913 1.00 0.00 C ATOM 1034 CD ARG A 68 6.156 6.678 11.923 1.00 0.00 C ATOM 1035 NE ARG A 68 6.337 8.072 12.317 1.00 0.00 N ATOM 1036 CZ ARG A 68 5.365 8.827 12.817 1.00 0.00 C ATOM 1037 NH1 ARG A 68 4.149 8.324 12.983 1.00 0.00 N ATOM 1038 NH2 ARG A 68 5.607 10.088 13.152 1.00 0.00 N ATOM 0 H ARG A 68 7.857 4.756 7.917 1.00 0.00 H new ATOM 0 HA ARG A 68 8.842 4.179 10.630 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.215 5.060 9.419 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.245 4.320 11.007 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.174 6.158 11.402 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.296 6.981 10.128 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.161 6.548 11.496 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.210 6.042 12.806 1.00 0.00 H new ATOM 0 HE ARG A 68 7.261 8.489 12.202 1.00 0.00 H new ATOM 0 HH11 ARG A 68 3.958 7.355 12.727 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.404 8.906 13.367 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.541 10.479 13.026 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.859 10.666 13.536 1.00 0.00 H new ATOM 1052 N VAL A 69 7.731 1.910 10.965 1.00 0.00 N ATOM 1053 CA VAL A 69 7.392 0.494 11.039 1.00 0.00 C ATOM 1054 C VAL A 69 6.349 0.234 12.119 1.00 0.00 C ATOM 1055 O VAL A 69 6.457 0.739 13.237 1.00 0.00 O ATOM 1056 CB VAL A 69 8.637 -0.366 11.325 1.00 0.00 C ATOM 1057 CG1 VAL A 69 8.282 -1.845 11.300 1.00 0.00 C ATOM 1058 CG2 VAL A 69 9.739 -0.057 10.323 1.00 0.00 C ATOM 0 H VAL A 69 8.006 2.325 11.855 1.00 0.00 H new ATOM 0 HA VAL A 69 6.982 0.215 10.068 1.00 0.00 H new ATOM 0 HB VAL A 69 9.004 -0.122 12.322 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.174 -2.437 11.504 1.00 0.00 H new ATOM 0 HG12 VAL A 69 7.528 -2.051 12.060 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.889 -2.108 10.318 1.00 0.00 H new ATOM 0 HG21 VAL A 69 10.611 -0.674 10.540 1.00 0.00 H new ATOM 0 HG22 VAL A 69 9.385 -0.271 9.315 1.00 0.00 H new ATOM 0 HG23 VAL A 69 10.012 0.996 10.395 1.00 0.00 H new ATOM 1068 N LYS A 70 5.338 -0.558 11.779 1.00 0.00 N ATOM 1069 CA LYS A 70 4.274 -0.889 12.720 1.00 0.00 C ATOM 1070 C LYS A 70 3.555 -2.167 12.302 1.00 0.00 C ATOM 1071 O LYS A 70 3.351 -2.415 11.114 1.00 0.00 O ATOM 1072 CB LYS A 70 3.273 0.265 12.815 1.00 0.00 C ATOM 1073 CG LYS A 70 2.794 0.767 11.464 1.00 0.00 C ATOM 1074 CD LYS A 70 1.373 1.301 11.539 1.00 0.00 C ATOM 1075 CE LYS A 70 1.333 2.693 12.151 1.00 0.00 C ATOM 1076 NZ LYS A 70 0.125 3.452 11.724 1.00 0.00 N ATOM 0 H LYS A 70 5.233 -0.983 10.858 1.00 0.00 H new ATOM 0 HA LYS A 70 4.726 -1.052 13.698 1.00 0.00 H new ATOM 0 HB2 LYS A 70 2.412 -0.059 13.399 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.733 1.091 13.358 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.461 1.553 11.110 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.841 -0.043 10.736 1.00 0.00 H new ATOM 0 HD2 LYS A 70 0.940 1.329 10.539 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.759 0.623 12.133 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.346 2.612 13.238 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.229 3.243 11.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.238 4.455 11.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 0.006 3.364 10.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.714 3.068 12.204 1.00 0.00 H new ATOM 1090 N SER A 71 3.172 -2.975 13.286 1.00 0.00 N ATOM 1091 CA SER A 71 2.478 -4.229 13.019 1.00 0.00 C ATOM 1092 C SER A 71 1.203 -3.984 12.217 1.00 0.00 C ATOM 1093 O SER A 71 0.462 -3.037 12.482 1.00 0.00 O ATOM 1094 CB SER A 71 2.140 -4.939 14.331 1.00 0.00 C ATOM 1095 OG SER A 71 3.288 -5.556 14.887 1.00 0.00 O ATOM 0 H SER A 71 3.331 -2.783 14.275 1.00 0.00 H new ATOM 0 HA SER A 71 3.140 -4.864 12.431 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.729 -4.221 15.041 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.370 -5.689 14.154 1.00 0.00 H new ATOM 0 HG SER A 71 4.094 -5.120 14.540 1.00 0.00 H new ATOM 1101 N VAL A 72 0.955 -4.845 11.235 1.00 0.00 N ATOM 1102 CA VAL A 72 -0.230 -4.724 10.395 1.00 0.00 C ATOM 1103 C VAL A 72 -1.505 -4.863 11.219 1.00 0.00 C ATOM 1104 O VAL A 72 -2.433 -4.066 11.086 1.00 0.00 O ATOM 1105 CB VAL A 72 -0.236 -5.784 9.277 1.00 0.00 C ATOM 1106 CG1 VAL A 72 -1.328 -5.483 8.261 1.00 0.00 C ATOM 1107 CG2 VAL A 72 1.126 -5.853 8.602 1.00 0.00 C ATOM 0 H VAL A 72 1.559 -5.633 11.002 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.199 -3.732 9.945 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.446 -6.756 9.723 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.317 -6.242 7.479 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.298 -5.488 8.758 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.152 -4.503 7.818 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.104 -6.607 7.815 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.367 -4.882 8.168 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.884 -6.119 9.339 1.00 0.00 H new ATOM 1117 N ASN A 73 -1.544 -5.882 12.071 1.00 0.00 N ATOM 1118 CA ASN A 73 -2.706 -6.127 12.918 1.00 0.00 C ATOM 1119 C ASN A 73 -2.408 -5.763 14.369 1.00 0.00 C ATOM 1120 O ASN A 73 -2.996 -4.831 14.920 1.00 0.00 O ATOM 1121 CB ASN A 73 -3.130 -7.594 12.826 1.00 0.00 C ATOM 1122 CG ASN A 73 -4.247 -7.935 13.794 1.00 0.00 C ATOM 1123 OD1 ASN A 73 -5.415 -7.647 13.537 1.00 0.00 O ATOM 1124 ND2 ASN A 73 -3.890 -8.552 14.914 1.00 0.00 N ATOM 0 H ASN A 73 -0.784 -6.552 12.193 1.00 0.00 H new ATOM 0 HA ASN A 73 -3.522 -5.497 12.564 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.455 -7.812 11.809 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.270 -8.231 13.029 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -4.597 -8.807 15.603 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.909 -8.771 15.085 1.00 0.00 H new ATOM 1131 N LEU A 74 -1.490 -6.502 14.983 1.00 0.00 N ATOM 1132 CA LEU A 74 -1.113 -6.256 16.370 1.00 0.00 C ATOM 1133 C LEU A 74 -1.211 -4.772 16.707 1.00 0.00 C ATOM 1134 O LEU A 74 -1.647 -4.400 17.797 1.00 0.00 O ATOM 1135 CB LEU A 74 0.310 -6.756 16.628 1.00 0.00 C ATOM 1136 CG LEU A 74 0.585 -8.215 16.263 1.00 0.00 C ATOM 1137 CD1 LEU A 74 2.080 -8.494 16.269 1.00 0.00 C ATOM 1138 CD2 LEU A 74 -0.137 -9.150 17.223 1.00 0.00 C ATOM 0 H LEU A 74 -0.993 -7.276 14.542 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.806 -6.801 17.011 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.002 -6.126 16.069 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.536 -6.618 17.685 1.00 0.00 H new ATOM 0 HG LEU A 74 0.206 -8.395 15.257 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.256 -9.537 16.007 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.573 -7.849 15.542 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.483 -8.296 17.262 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.070 -10.184 16.948 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.212 -8.968 18.240 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.210 -8.968 17.170 1.00 0.00 H new ATOM 1150 N ASP A 75 -0.806 -3.929 15.764 1.00 0.00 N ATOM 1151 CA ASP A 75 -0.852 -2.484 15.959 1.00 0.00 C ATOM 1152 C ASP A 75 -2.088 -1.885 15.295 1.00 0.00 C ATOM 1153 O ASP A 75 -2.673 -2.487 14.396 1.00 0.00 O ATOM 1154 CB ASP A 75 0.412 -1.832 15.396 1.00 0.00 C ATOM 1155 CG ASP A 75 1.518 -1.727 16.427 1.00 0.00 C ATOM 1156 OD1 ASP A 75 1.801 -2.741 17.100 1.00 0.00 O ATOM 1157 OD2 ASP A 75 2.102 -0.632 16.561 1.00 0.00 O ATOM 0 H ASP A 75 -0.442 -4.221 14.857 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.907 -2.288 17.030 1.00 0.00 H new ATOM 0 HB2 ASP A 75 0.767 -2.411 14.544 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.169 -0.836 15.025 1.00 0.00 H new ATOM 1162 N GLN A 76 -2.479 -0.697 15.747 1.00 0.00 N ATOM 1163 CA GLN A 76 -3.646 -0.019 15.197 1.00 0.00 C ATOM 1164 C GLN A 76 -3.268 0.813 13.976 1.00 0.00 C ATOM 1165 O GLN A 76 -2.177 1.380 13.913 1.00 0.00 O ATOM 1166 CB GLN A 76 -4.289 0.875 16.259 1.00 0.00 C ATOM 1167 CG GLN A 76 -5.701 1.317 15.909 1.00 0.00 C ATOM 1168 CD GLN A 76 -6.056 2.664 16.507 1.00 0.00 C ATOM 1169 OE1 GLN A 76 -5.544 3.043 17.561 1.00 0.00 O ATOM 1170 NE2 GLN A 76 -6.938 3.396 15.837 1.00 0.00 N ATOM 0 H GLN A 76 -2.005 -0.186 16.491 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.364 -0.779 14.887 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -4.310 0.340 17.208 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -3.666 1.758 16.404 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.804 1.367 14.825 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.410 0.569 16.263 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -7.338 3.043 14.967 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.216 4.311 16.192 1.00 0.00 H new ATOM 1179 N TRP A 77 -4.176 0.882 13.010 1.00 0.00 N ATOM 1180 CA TRP A 77 -3.936 1.645 11.790 1.00 0.00 C ATOM 1181 C TRP A 77 -5.033 2.681 11.571 1.00 0.00 C ATOM 1182 O TRP A 77 -5.997 2.751 12.335 1.00 0.00 O ATOM 1183 CB TRP A 77 -3.856 0.707 10.584 1.00 0.00 C ATOM 1184 CG TRP A 77 -2.528 0.026 10.448 1.00 0.00 C ATOM 1185 CD1 TRP A 77 -1.843 -0.638 11.426 1.00 0.00 C ATOM 1186 CD2 TRP A 77 -1.723 -0.054 9.267 1.00 0.00 C ATOM 1187 NE1 TRP A 77 -0.662 -1.126 10.923 1.00 0.00 N ATOM 1188 CE2 TRP A 77 -0.565 -0.783 9.601 1.00 0.00 C ATOM 1189 CE3 TRP A 77 -1.870 0.416 7.959 1.00 0.00 C ATOM 1190 CZ2 TRP A 77 0.439 -1.049 8.674 1.00 0.00 C ATOM 1191 CZ3 TRP A 77 -0.872 0.151 7.040 1.00 0.00 C ATOM 1192 CH2 TRP A 77 0.270 -0.577 7.401 1.00 0.00 C ATOM 0 H TRP A 77 -5.084 0.420 13.047 1.00 0.00 H new ATOM 0 HA TRP A 77 -2.985 2.167 11.899 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -4.637 -0.049 10.668 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -4.059 1.276 9.677 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -2.181 -0.761 12.445 1.00 0.00 H new ATOM 0 HE1 TRP A 77 0.031 -1.658 11.449 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -2.747 0.976 7.671 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 1.321 -1.608 8.950 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -0.974 0.511 6.027 1.00 0.00 H new ATOM 0 HH2 TRP A 77 1.032 -0.769 6.660 1.00 0.00 H new ATOM 1203 N THR A 78 -4.882 3.486 10.524 1.00 0.00 N ATOM 1204 CA THR A 78 -5.860 4.519 10.206 1.00 0.00 C ATOM 1205 C THR A 78 -6.148 4.561 8.710 1.00 0.00 C ATOM 1206 O THR A 78 -5.320 4.151 7.896 1.00 0.00 O ATOM 1207 CB THR A 78 -5.378 5.908 10.663 1.00 0.00 C ATOM 1208 OG1 THR A 78 -4.126 6.222 10.042 1.00 0.00 O ATOM 1209 CG2 THR A 78 -5.225 5.957 12.176 1.00 0.00 C ATOM 0 H THR A 78 -4.091 3.442 9.881 1.00 0.00 H new ATOM 0 HA THR A 78 -6.774 4.265 10.743 1.00 0.00 H new ATOM 0 HB THR A 78 -6.125 6.643 10.365 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.921 5.548 9.361 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.884 6.948 12.475 1.00 0.00 H new ATOM 0 HG22 THR A 78 -6.186 5.747 12.646 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.496 5.211 12.492 1.00 0.00 H new ATOM 1217 N ALA A 79 -7.328 5.058 8.353 1.00 0.00 N ATOM 1218 CA ALA A 79 -7.724 5.156 6.954 1.00 0.00 C ATOM 1219 C ALA A 79 -6.588 5.707 6.099 1.00 0.00 C ATOM 1220 O ALA A 79 -6.286 5.172 5.033 1.00 0.00 O ATOM 1221 CB ALA A 79 -8.962 6.029 6.816 1.00 0.00 C ATOM 0 H ALA A 79 -8.026 5.399 9.014 1.00 0.00 H new ATOM 0 HA ALA A 79 -7.958 4.153 6.597 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.247 6.093 5.766 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.781 5.592 7.388 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.747 7.028 7.196 1.00 0.00 H new ATOM 1227 N GLU A 80 -5.963 6.780 6.573 1.00 0.00 N ATOM 1228 CA GLU A 80 -4.861 7.404 5.850 1.00 0.00 C ATOM 1229 C GLU A 80 -3.859 6.355 5.375 1.00 0.00 C ATOM 1230 O GLU A 80 -3.484 6.327 4.204 1.00 0.00 O ATOM 1231 CB GLU A 80 -4.157 8.433 6.737 1.00 0.00 C ATOM 1232 CG GLU A 80 -3.308 9.426 5.961 1.00 0.00 C ATOM 1233 CD GLU A 80 -1.884 8.944 5.760 1.00 0.00 C ATOM 1234 OE1 GLU A 80 -1.126 8.902 6.751 1.00 0.00 O ATOM 1235 OE2 GLU A 80 -1.529 8.609 4.610 1.00 0.00 O ATOM 0 H GLU A 80 -6.201 7.235 7.454 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.273 7.910 4.977 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.906 8.979 7.311 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -3.525 7.910 7.454 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -3.766 9.609 4.989 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.294 10.378 6.491 1.00 0.00 H new ATOM 1242 N GLN A 81 -3.431 5.496 6.295 1.00 0.00 N ATOM 1243 CA GLN A 81 -2.471 4.447 5.971 1.00 0.00 C ATOM 1244 C GLN A 81 -3.087 3.418 5.028 1.00 0.00 C ATOM 1245 O GLN A 81 -2.501 3.073 4.002 1.00 0.00 O ATOM 1246 CB GLN A 81 -1.986 3.759 7.248 1.00 0.00 C ATOM 1247 CG GLN A 81 -0.829 4.477 7.923 1.00 0.00 C ATOM 1248 CD GLN A 81 -1.285 5.637 8.785 1.00 0.00 C ATOM 1249 OE1 GLN A 81 -2.254 6.325 8.459 1.00 0.00 O ATOM 1250 NE2 GLN A 81 -0.589 5.862 9.893 1.00 0.00 N ATOM 0 H GLN A 81 -3.733 5.506 7.269 1.00 0.00 H new ATOM 0 HA GLN A 81 -1.621 4.909 5.470 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.817 3.686 7.950 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -1.681 2.740 7.009 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -0.276 3.768 8.538 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -0.140 4.844 7.162 1.00 0.00 H new ATOM 0 HE21 GLN A 81 0.207 5.268 10.125 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -0.850 6.629 10.512 1.00 0.00 H new ATOM 1259 N ILE A 82 -4.272 2.932 5.383 1.00 0.00 N ATOM 1260 CA ILE A 82 -4.967 1.944 4.568 1.00 0.00 C ATOM 1261 C ILE A 82 -5.001 2.365 3.103 1.00 0.00 C ATOM 1262 O ILE A 82 -4.446 1.686 2.239 1.00 0.00 O ATOM 1263 CB ILE A 82 -6.410 1.722 5.060 1.00 0.00 C ATOM 1264 CG1 ILE A 82 -6.409 1.267 6.520 1.00 0.00 C ATOM 1265 CG2 ILE A 82 -7.118 0.702 4.181 1.00 0.00 C ATOM 1266 CD1 ILE A 82 -5.501 0.087 6.785 1.00 0.00 C ATOM 0 H ILE A 82 -4.770 3.207 6.230 1.00 0.00 H new ATOM 0 HA ILE A 82 -4.412 1.011 4.663 1.00 0.00 H new ATOM 0 HB ILE A 82 -6.951 2.666 4.994 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -6.102 2.101 7.152 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.426 1.005 6.811 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -8.136 0.556 4.541 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -7.145 1.064 3.153 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -6.581 -0.246 4.218 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -5.551 -0.181 7.840 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -5.821 -0.761 6.180 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.476 0.351 6.526 1.00 0.00 H new ATOM 1278 N GLN A 83 -5.654 3.491 2.831 1.00 0.00 N ATOM 1279 CA GLN A 83 -5.758 4.003 1.470 1.00 0.00 C ATOM 1280 C GLN A 83 -4.408 3.949 0.763 1.00 0.00 C ATOM 1281 O GLN A 83 -4.307 3.466 -0.366 1.00 0.00 O ATOM 1282 CB GLN A 83 -6.283 5.440 1.482 1.00 0.00 C ATOM 1283 CG GLN A 83 -6.343 6.078 0.104 1.00 0.00 C ATOM 1284 CD GLN A 83 -7.196 5.287 -0.869 1.00 0.00 C ATOM 1285 OE1 GLN A 83 -6.881 4.145 -1.203 1.00 0.00 O ATOM 1286 NE2 GLN A 83 -8.285 5.893 -1.328 1.00 0.00 N ATOM 0 H GLN A 83 -6.118 4.065 3.535 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.459 3.372 0.924 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -7.281 5.450 1.921 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -5.645 6.045 2.126 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -6.742 7.088 0.193 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -5.333 6.168 -0.295 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -8.508 6.841 -1.024 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -8.899 5.411 -1.984 1.00 0.00 H new ATOM 1295 N CYS A 84 -3.374 4.447 1.432 1.00 0.00 N ATOM 1296 CA CYS A 84 -2.030 4.456 0.867 1.00 0.00 C ATOM 1297 C CYS A 84 -1.615 3.055 0.428 1.00 0.00 C ATOM 1298 O CYS A 84 -1.255 2.838 -0.728 1.00 0.00 O ATOM 1299 CB CYS A 84 -1.029 5.001 1.887 1.00 0.00 C ATOM 1300 SG CYS A 84 -0.995 6.806 1.995 1.00 0.00 S ATOM 0 H CYS A 84 -3.441 4.850 2.367 1.00 0.00 H new ATOM 0 HA CYS A 84 -2.035 5.105 -0.009 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -1.269 4.593 2.869 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -0.032 4.644 1.628 1.00 0.00 H new ATOM 0 HG CYS A 84 -1.261 7.173 3.213 1.00 0.00 H new ATOM 1306 N MET A 85 -1.666 2.109 1.360 1.00 0.00 N ATOM 1307 CA MET A 85 -1.295 0.729 1.069 1.00 0.00 C ATOM 1308 C MET A 85 -1.767 0.321 -0.323 1.00 0.00 C ATOM 1309 O MET A 85 -1.007 -0.253 -1.102 1.00 0.00 O ATOM 1310 CB MET A 85 -1.889 -0.213 2.118 1.00 0.00 C ATOM 1311 CG MET A 85 -1.324 -0.002 3.514 1.00 0.00 C ATOM 1312 SD MET A 85 0.471 -0.172 3.570 1.00 0.00 S ATOM 1313 CE MET A 85 0.678 -1.805 2.865 1.00 0.00 C ATOM 0 H MET A 85 -1.960 2.273 2.323 1.00 0.00 H new ATOM 0 HA MET A 85 -0.208 0.657 1.100 1.00 0.00 H new ATOM 0 HB2 MET A 85 -2.970 -0.075 2.148 1.00 0.00 H new ATOM 0 HB3 MET A 85 -1.707 -1.244 1.813 1.00 0.00 H new ATOM 0 HG2 MET A 85 -1.602 0.991 3.868 1.00 0.00 H new ATOM 0 HG3 MET A 85 -1.775 -0.722 4.197 1.00 0.00 H new ATOM 0 HE1 MET A 85 1.444 -2.347 3.420 1.00 0.00 H new ATOM 0 HE2 MET A 85 -0.265 -2.348 2.923 1.00 0.00 H new ATOM 0 HE3 MET A 85 0.982 -1.715 1.822 1.00 0.00 H new ATOM 1323 N GLN A 86 -3.026 0.621 -0.627 1.00 0.00 N ATOM 1324 CA GLN A 86 -3.598 0.284 -1.925 1.00 0.00 C ATOM 1325 C GLN A 86 -3.012 1.165 -3.024 1.00 0.00 C ATOM 1326 O GLN A 86 -2.652 0.679 -4.097 1.00 0.00 O ATOM 1327 CB GLN A 86 -5.120 0.436 -1.891 1.00 0.00 C ATOM 1328 CG GLN A 86 -5.800 -0.482 -0.888 1.00 0.00 C ATOM 1329 CD GLN A 86 -5.801 0.087 0.517 1.00 0.00 C ATOM 1330 OE1 GLN A 86 -6.301 1.187 0.754 1.00 0.00 O ATOM 1331 NE2 GLN A 86 -5.239 -0.661 1.460 1.00 0.00 N ATOM 0 H GLN A 86 -3.668 1.096 0.007 1.00 0.00 H new ATOM 0 HA GLN A 86 -3.348 -0.754 -2.145 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -5.368 1.470 -1.651 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -5.519 0.234 -2.885 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -6.828 -0.661 -1.204 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -5.295 -1.448 -0.884 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -4.836 -1.567 1.220 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.210 -0.330 2.424 1.00 0.00 H new ATOM 1340 N ASP A 87 -2.920 2.461 -2.750 1.00 0.00 N ATOM 1341 CA ASP A 87 -2.377 3.410 -3.715 1.00 0.00 C ATOM 1342 C ASP A 87 -0.998 2.968 -4.195 1.00 0.00 C ATOM 1343 O ASP A 87 -0.777 2.782 -5.391 1.00 0.00 O ATOM 1344 CB ASP A 87 -2.292 4.807 -3.096 1.00 0.00 C ATOM 1345 CG ASP A 87 -3.637 5.504 -3.054 1.00 0.00 C ATOM 1346 OD1 ASP A 87 -4.634 4.849 -2.682 1.00 0.00 O ATOM 1347 OD2 ASP A 87 -3.694 6.705 -3.391 1.00 0.00 O ATOM 0 H ASP A 87 -3.214 2.879 -1.867 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.048 3.442 -4.574 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.895 4.729 -2.084 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -1.590 5.413 -3.669 1.00 0.00 H new ATOM 1352 N MET A 88 -0.074 2.803 -3.254 1.00 0.00 N ATOM 1353 CA MET A 88 1.283 2.383 -3.581 1.00 0.00 C ATOM 1354 C MET A 88 1.367 0.865 -3.705 1.00 0.00 C ATOM 1355 O MET A 88 1.477 0.328 -4.806 1.00 0.00 O ATOM 1356 CB MET A 88 2.264 2.875 -2.515 1.00 0.00 C ATOM 1357 CG MET A 88 3.714 2.537 -2.821 1.00 0.00 C ATOM 1358 SD MET A 88 4.536 3.819 -3.786 1.00 0.00 S ATOM 1359 CE MET A 88 5.382 2.827 -5.015 1.00 0.00 C ATOM 0 H MET A 88 -0.241 2.954 -2.259 1.00 0.00 H new ATOM 0 HA MET A 88 1.551 2.824 -4.541 1.00 0.00 H new ATOM 0 HB2 MET A 88 2.165 3.956 -2.413 1.00 0.00 H new ATOM 0 HB3 MET A 88 1.993 2.438 -1.554 1.00 0.00 H new ATOM 0 HG2 MET A 88 4.254 2.389 -1.886 1.00 0.00 H new ATOM 0 HG3 MET A 88 3.756 1.594 -3.366 1.00 0.00 H new ATOM 0 HE1 MET A 88 5.429 3.375 -5.956 1.00 0.00 H new ATOM 0 HE2 MET A 88 6.393 2.607 -4.672 1.00 0.00 H new ATOM 0 HE3 MET A 88 4.839 1.894 -5.166 1.00 0.00 H new ATOM 1369 N GLY A 89 1.316 0.179 -2.567 1.00 0.00 N ATOM 1370 CA GLY A 89 1.388 -1.270 -2.571 1.00 0.00 C ATOM 1371 C GLY A 89 2.695 -1.784 -3.142 1.00 0.00 C ATOM 1372 O GLY A 89 3.516 -1.007 -3.627 1.00 0.00 O ATOM 0 H GLY A 89 1.226 0.601 -1.643 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.270 -1.639 -1.552 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.558 -1.670 -3.153 1.00 0.00 H new ATOM 1376 N ASN A 90 2.889 -3.098 -3.083 1.00 0.00 N ATOM 1377 CA ASN A 90 4.107 -3.714 -3.596 1.00 0.00 C ATOM 1378 C ASN A 90 4.169 -3.611 -5.117 1.00 0.00 C ATOM 1379 O ASN A 90 5.224 -3.333 -5.689 1.00 0.00 O ATOM 1380 CB ASN A 90 4.179 -5.182 -3.170 1.00 0.00 C ATOM 1381 CG ASN A 90 4.559 -5.342 -1.710 1.00 0.00 C ATOM 1382 OD1 ASN A 90 4.239 -4.495 -0.877 1.00 0.00 O ATOM 1383 ND2 ASN A 90 5.247 -6.433 -1.395 1.00 0.00 N ATOM 0 H ASN A 90 2.219 -3.756 -2.685 1.00 0.00 H new ATOM 0 HA ASN A 90 4.960 -3.179 -3.178 1.00 0.00 H new ATOM 0 HB2 ASN A 90 3.213 -5.656 -3.345 1.00 0.00 H new ATOM 0 HB3 ASN A 90 4.908 -5.703 -3.792 1.00 0.00 H new ATOM 0 HD21 ASN A 90 5.532 -6.595 -0.429 1.00 0.00 H new ATOM 0 HD22 ASN A 90 5.491 -7.109 -2.119 1.00 0.00 H new ATOM 1390 N THR A 91 3.032 -3.837 -5.767 1.00 0.00 N ATOM 1391 CA THR A 91 2.956 -3.770 -7.221 1.00 0.00 C ATOM 1392 C THR A 91 3.788 -2.613 -7.762 1.00 0.00 C ATOM 1393 O THR A 91 4.773 -2.821 -8.471 1.00 0.00 O ATOM 1394 CB THR A 91 1.502 -3.611 -7.702 1.00 0.00 C ATOM 1395 OG1 THR A 91 0.721 -4.736 -7.284 1.00 0.00 O ATOM 1396 CG2 THR A 91 1.443 -3.480 -9.216 1.00 0.00 C ATOM 0 H THR A 91 2.150 -4.068 -5.309 1.00 0.00 H new ATOM 0 HA THR A 91 3.355 -4.710 -7.601 1.00 0.00 H new ATOM 0 HB THR A 91 1.094 -2.702 -7.259 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.203 -4.626 -7.593 1.00 0.00 H new ATOM 0 HG21 THR A 91 0.406 -3.369 -9.531 1.00 0.00 H new ATOM 0 HG22 THR A 91 2.013 -2.605 -9.528 1.00 0.00 H new ATOM 0 HG23 THR A 91 1.868 -4.372 -9.675 1.00 0.00 H new ATOM 1404 N LYS A 92 3.387 -1.393 -7.424 1.00 0.00 N ATOM 1405 CA LYS A 92 4.096 -0.201 -7.874 1.00 0.00 C ATOM 1406 C LYS A 92 5.479 -0.118 -7.236 1.00 0.00 C ATOM 1407 O LYS A 92 6.474 0.122 -7.919 1.00 0.00 O ATOM 1408 CB LYS A 92 3.290 1.055 -7.536 1.00 0.00 C ATOM 1409 CG LYS A 92 2.022 1.204 -8.359 1.00 0.00 C ATOM 1410 CD LYS A 92 1.215 2.416 -7.924 1.00 0.00 C ATOM 1411 CE LYS A 92 -0.041 2.580 -8.766 1.00 0.00 C ATOM 1412 NZ LYS A 92 0.225 3.344 -10.016 1.00 0.00 N ATOM 0 H LYS A 92 2.573 -1.203 -6.839 1.00 0.00 H new ATOM 0 HA LYS A 92 4.217 -0.267 -8.955 1.00 0.00 H new ATOM 0 HB2 LYS A 92 3.026 1.034 -6.479 1.00 0.00 H new ATOM 0 HB3 LYS A 92 3.918 1.932 -7.690 1.00 0.00 H new ATOM 0 HG2 LYS A 92 2.280 1.297 -9.414 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.414 0.305 -8.258 1.00 0.00 H new ATOM 0 HD2 LYS A 92 0.940 2.314 -6.874 1.00 0.00 H new ATOM 0 HD3 LYS A 92 1.829 3.312 -8.007 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -0.440 1.597 -9.019 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -0.805 3.093 -8.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -0.656 3.434 -10.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 0.581 4.291 -9.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 0.935 2.841 -10.586 1.00 0.00 H new ATOM 1426 N ALA A 93 5.533 -0.318 -5.923 1.00 0.00 N ATOM 1427 CA ALA A 93 6.795 -0.269 -5.194 1.00 0.00 C ATOM 1428 C ALA A 93 7.918 -0.916 -5.997 1.00 0.00 C ATOM 1429 O ALA A 93 9.043 -0.418 -6.021 1.00 0.00 O ATOM 1430 CB ALA A 93 6.649 -0.950 -3.842 1.00 0.00 C ATOM 0 H ALA A 93 4.718 -0.515 -5.343 1.00 0.00 H new ATOM 0 HA ALA A 93 7.055 0.778 -5.035 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.598 -0.906 -3.308 1.00 0.00 H new ATOM 0 HB2 ALA A 93 5.881 -0.441 -3.259 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.363 -1.991 -3.988 1.00 0.00 H new ATOM 1436 N ARG A 94 7.605 -2.029 -6.652 1.00 0.00 N ATOM 1437 CA ARG A 94 8.589 -2.746 -7.454 1.00 0.00 C ATOM 1438 C ARG A 94 8.871 -2.005 -8.758 1.00 0.00 C ATOM 1439 O ARG A 94 10.012 -1.951 -9.220 1.00 0.00 O ATOM 1440 CB ARG A 94 8.099 -4.163 -7.756 1.00 0.00 C ATOM 1441 CG ARG A 94 8.976 -4.913 -8.746 1.00 0.00 C ATOM 1442 CD ARG A 94 8.169 -5.917 -9.555 1.00 0.00 C ATOM 1443 NE ARG A 94 8.026 -7.193 -8.859 1.00 0.00 N ATOM 1444 CZ ARG A 94 8.989 -8.106 -8.794 1.00 0.00 C ATOM 1445 NH1 ARG A 94 10.158 -7.885 -9.379 1.00 0.00 N ATOM 1446 NH2 ARG A 94 8.783 -9.243 -8.142 1.00 0.00 N ATOM 0 H ARG A 94 6.678 -2.454 -6.643 1.00 0.00 H new ATOM 0 HA ARG A 94 9.514 -2.804 -6.881 1.00 0.00 H new ATOM 0 HB2 ARG A 94 8.051 -4.728 -6.825 1.00 0.00 H new ATOM 0 HB3 ARG A 94 7.084 -4.111 -8.150 1.00 0.00 H new ATOM 0 HG2 ARG A 94 9.456 -4.203 -9.420 1.00 0.00 H new ATOM 0 HG3 ARG A 94 9.771 -5.431 -8.210 1.00 0.00 H new ATOM 0 HD2 ARG A 94 7.182 -5.505 -9.763 1.00 0.00 H new ATOM 0 HD3 ARG A 94 8.655 -6.081 -10.517 1.00 0.00 H new ATOM 0 HE ARG A 94 7.139 -7.394 -8.398 1.00 0.00 H new ATOM 0 HH11 ARG A 94 10.320 -7.012 -9.881 1.00 0.00 H new ATOM 0 HH12 ARG A 94 10.895 -8.588 -9.327 1.00 0.00 H new ATOM 0 HH21 ARG A 94 7.885 -9.416 -7.690 1.00 0.00 H new ATOM 0 HH22 ARG A 94 9.523 -9.944 -8.092 1.00 0.00 H new ATOM 1460 N LEU A 95 7.825 -1.436 -9.347 1.00 0.00 N ATOM 1461 CA LEU A 95 7.959 -0.699 -10.599 1.00 0.00 C ATOM 1462 C LEU A 95 8.566 0.680 -10.356 1.00 0.00 C ATOM 1463 O LEU A 95 8.856 1.417 -11.299 1.00 0.00 O ATOM 1464 CB LEU A 95 6.596 -0.556 -11.278 1.00 0.00 C ATOM 1465 CG LEU A 95 5.772 -1.837 -11.404 1.00 0.00 C ATOM 1466 CD1 LEU A 95 4.305 -1.508 -11.633 1.00 0.00 C ATOM 1467 CD2 LEU A 95 6.307 -2.708 -12.531 1.00 0.00 C ATOM 0 H LEU A 95 6.875 -1.471 -8.978 1.00 0.00 H new ATOM 0 HA LEU A 95 8.627 -1.260 -11.253 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.010 0.176 -10.722 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.751 -0.148 -12.277 1.00 0.00 H new ATOM 0 HG LEU A 95 5.857 -2.393 -10.471 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.734 -2.432 -11.720 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.927 -0.926 -10.792 1.00 0.00 H new ATOM 0 HD13 LEU A 95 4.201 -0.929 -12.551 1.00 0.00 H new ATOM 0 HD21 LEU A 95 5.708 -3.615 -12.605 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.253 -2.160 -13.471 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.344 -2.974 -12.325 1.00 0.00 H new ATOM 1479 N LEU A 96 8.758 1.021 -9.087 1.00 0.00 N ATOM 1480 CA LEU A 96 9.333 2.310 -8.719 1.00 0.00 C ATOM 1481 C LEU A 96 10.737 2.137 -8.149 1.00 0.00 C ATOM 1482 O LEU A 96 11.714 2.620 -8.721 1.00 0.00 O ATOM 1483 CB LEU A 96 8.439 3.017 -7.699 1.00 0.00 C ATOM 1484 CG LEU A 96 8.622 4.531 -7.581 1.00 0.00 C ATOM 1485 CD1 LEU A 96 10.029 4.863 -7.110 1.00 0.00 C ATOM 1486 CD2 LEU A 96 8.329 5.208 -8.912 1.00 0.00 C ATOM 0 H LEU A 96 8.524 0.423 -8.295 1.00 0.00 H new ATOM 0 HA LEU A 96 9.399 2.921 -9.619 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.399 2.816 -7.956 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.617 2.572 -6.720 1.00 0.00 H new ATOM 0 HG LEU A 96 7.915 4.907 -6.841 1.00 0.00 H new ATOM 0 HD11 LEU A 96 10.141 5.944 -7.032 1.00 0.00 H new ATOM 0 HD12 LEU A 96 10.203 4.409 -6.134 1.00 0.00 H new ATOM 0 HD13 LEU A 96 10.753 4.474 -7.826 1.00 0.00 H new ATOM 0 HD21 LEU A 96 8.464 6.285 -8.810 1.00 0.00 H new ATOM 0 HD22 LEU A 96 9.011 4.827 -9.672 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.301 4.998 -9.209 1.00 0.00 H new ATOM 1498 N TYR A 97 10.830 1.445 -7.019 1.00 0.00 N ATOM 1499 CA TYR A 97 12.114 1.208 -6.371 1.00 0.00 C ATOM 1500 C TYR A 97 12.929 0.172 -7.139 1.00 0.00 C ATOM 1501 O TYR A 97 14.110 0.379 -7.417 1.00 0.00 O ATOM 1502 CB TYR A 97 11.903 0.742 -4.929 1.00 0.00 C ATOM 1503 CG TYR A 97 11.370 1.822 -4.015 1.00 0.00 C ATOM 1504 CD1 TYR A 97 12.228 2.730 -3.406 1.00 0.00 C ATOM 1505 CD2 TYR A 97 10.009 1.934 -3.761 1.00 0.00 C ATOM 1506 CE1 TYR A 97 11.745 3.717 -2.570 1.00 0.00 C ATOM 1507 CE2 TYR A 97 9.517 2.919 -2.927 1.00 0.00 C ATOM 1508 CZ TYR A 97 10.389 3.808 -2.333 1.00 0.00 C ATOM 1509 OH TYR A 97 9.904 4.791 -1.501 1.00 0.00 O ATOM 0 H TYR A 97 10.031 1.038 -6.533 1.00 0.00 H new ATOM 0 HA TYR A 97 12.668 2.147 -6.365 1.00 0.00 H new ATOM 0 HB2 TYR A 97 11.210 -0.099 -4.926 1.00 0.00 H new ATOM 0 HB3 TYR A 97 12.850 0.377 -4.532 1.00 0.00 H new ATOM 0 HD1 TYR A 97 13.290 2.662 -3.590 1.00 0.00 H new ATOM 0 HD2 TYR A 97 9.324 1.239 -4.224 1.00 0.00 H new ATOM 0 HE1 TYR A 97 12.425 4.414 -2.104 1.00 0.00 H new ATOM 0 HE2 TYR A 97 8.456 2.993 -2.741 1.00 0.00 H new ATOM 0 HH TYR A 97 10.209 4.624 -0.585 1.00 0.00 H new ATOM 1519 N GLU A 98 12.289 -0.942 -7.478 1.00 0.00 N ATOM 1520 CA GLU A 98 12.954 -2.011 -8.213 1.00 0.00 C ATOM 1521 C GLU A 98 12.919 -1.742 -9.715 1.00 0.00 C ATOM 1522 O GLU A 98 12.812 -2.667 -10.520 1.00 0.00 O ATOM 1523 CB GLU A 98 12.293 -3.357 -7.910 1.00 0.00 C ATOM 1524 CG GLU A 98 12.767 -3.989 -6.611 1.00 0.00 C ATOM 1525 CD GLU A 98 12.708 -5.503 -6.643 1.00 0.00 C ATOM 1526 OE1 GLU A 98 11.900 -6.048 -7.424 1.00 0.00 O ATOM 1527 OE2 GLU A 98 13.468 -6.144 -5.888 1.00 0.00 O ATOM 0 H GLU A 98 11.311 -1.128 -7.256 1.00 0.00 H new ATOM 0 HA GLU A 98 13.995 -2.045 -7.891 1.00 0.00 H new ATOM 0 HB2 GLU A 98 11.213 -3.220 -7.865 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.493 -4.044 -8.733 1.00 0.00 H new ATOM 0 HG2 GLU A 98 13.791 -3.673 -6.410 1.00 0.00 H new ATOM 0 HG3 GLU A 98 12.153 -3.623 -5.788 1.00 0.00 H new ATOM 1534 N ALA A 99 13.009 -0.468 -10.084 1.00 0.00 N ATOM 1535 CA ALA A 99 12.989 -0.077 -11.488 1.00 0.00 C ATOM 1536 C ALA A 99 14.398 0.196 -12.002 1.00 0.00 C ATOM 1537 O ALA A 99 14.728 -0.132 -13.141 1.00 0.00 O ATOM 1538 CB ALA A 99 12.108 1.149 -11.681 1.00 0.00 C ATOM 0 H ALA A 99 13.096 0.310 -9.430 1.00 0.00 H new ATOM 0 HA ALA A 99 12.574 -0.904 -12.064 1.00 0.00 H new ATOM 0 HB1 ALA A 99 12.102 1.430 -12.734 1.00 0.00 H new ATOM 0 HB2 ALA A 99 11.092 0.921 -11.360 1.00 0.00 H new ATOM 0 HB3 ALA A 99 12.499 1.975 -11.087 1.00 0.00 H new ATOM 1544 N ASN A 100 15.226 0.798 -11.155 1.00 0.00 N ATOM 1545 CA ASN A 100 16.601 1.116 -11.525 1.00 0.00 C ATOM 1546 C ASN A 100 17.535 -0.044 -11.195 1.00 0.00 C ATOM 1547 O ASN A 100 18.752 0.129 -11.109 1.00 0.00 O ATOM 1548 CB ASN A 100 17.066 2.382 -10.802 1.00 0.00 C ATOM 1549 CG ASN A 100 16.554 3.647 -11.463 1.00 0.00 C ATOM 1550 OD1 ASN A 100 16.787 3.878 -12.650 1.00 0.00 O ATOM 1551 ND2 ASN A 100 15.852 4.473 -10.696 1.00 0.00 N ATOM 0 H ASN A 100 14.969 1.076 -10.208 1.00 0.00 H new ATOM 0 HA ASN A 100 16.631 1.289 -12.601 1.00 0.00 H new ATOM 0 HB2 ASN A 100 16.724 2.352 -9.767 1.00 0.00 H new ATOM 0 HB3 ASN A 100 18.156 2.404 -10.778 1.00 0.00 H new ATOM 0 HD21 ASN A 100 15.481 5.340 -11.086 1.00 0.00 H new ATOM 0 HD22 ASN A 100 15.683 4.241 -9.717 1.00 0.00 H new ATOM 1558 N LEU A 101 16.959 -1.226 -11.010 1.00 0.00 N ATOM 1559 CA LEU A 101 17.739 -2.416 -10.690 1.00 0.00 C ATOM 1560 C LEU A 101 18.448 -2.952 -11.930 1.00 0.00 C ATOM 1561 O LEU A 101 17.933 -2.889 -13.046 1.00 0.00 O ATOM 1562 CB LEU A 101 16.835 -3.499 -10.098 1.00 0.00 C ATOM 1563 CG LEU A 101 16.607 -3.431 -8.588 1.00 0.00 C ATOM 1564 CD1 LEU A 101 15.606 -4.490 -8.151 1.00 0.00 C ATOM 1565 CD2 LEU A 101 17.922 -3.598 -7.842 1.00 0.00 C ATOM 0 H LEU A 101 15.954 -1.386 -11.076 1.00 0.00 H new ATOM 0 HA LEU A 101 18.493 -2.138 -9.954 1.00 0.00 H new ATOM 0 HB2 LEU A 101 15.866 -3.447 -10.594 1.00 0.00 H new ATOM 0 HB3 LEU A 101 17.263 -4.472 -10.337 1.00 0.00 H new ATOM 0 HG LEU A 101 16.197 -2.451 -8.346 1.00 0.00 H new ATOM 0 HD11 LEU A 101 15.456 -4.426 -7.073 1.00 0.00 H new ATOM 0 HD12 LEU A 101 14.656 -4.325 -8.660 1.00 0.00 H new ATOM 0 HD13 LEU A 101 15.987 -5.479 -8.407 1.00 0.00 H new ATOM 0 HD21 LEU A 101 17.740 -3.547 -6.768 1.00 0.00 H new ATOM 0 HD22 LEU A 101 18.361 -4.564 -8.090 1.00 0.00 H new ATOM 0 HD23 LEU A 101 18.608 -2.803 -8.132 1.00 0.00 H new ATOM 1664 N ARG A 107 19.168 -10.436 -5.596 1.00 0.00 N ATOM 1665 CA ARG A 107 18.508 -10.176 -4.323 1.00 0.00 C ATOM 1666 C ARG A 107 19.289 -10.799 -3.169 1.00 0.00 C ATOM 1667 O ARG A 107 19.497 -12.011 -3.112 1.00 0.00 O ATOM 1668 CB ARG A 107 17.080 -10.725 -4.342 1.00 0.00 C ATOM 1669 CG ARG A 107 16.304 -10.449 -3.065 1.00 0.00 C ATOM 1670 CD ARG A 107 14.941 -11.123 -3.084 1.00 0.00 C ATOM 1671 NE ARG A 107 15.041 -12.552 -3.370 1.00 0.00 N ATOM 1672 CZ ARG A 107 15.081 -13.055 -4.598 1.00 0.00 C ATOM 1673 NH1 ARG A 107 15.031 -12.249 -5.650 1.00 0.00 N ATOM 1674 NH2 ARG A 107 15.173 -14.366 -4.777 1.00 0.00 N ATOM 0 HA ARG A 107 18.472 -9.097 -4.175 1.00 0.00 H new ATOM 0 HB2 ARG A 107 16.543 -10.289 -5.185 1.00 0.00 H new ATOM 0 HB3 ARG A 107 17.116 -11.801 -4.510 1.00 0.00 H new ATOM 0 HG2 ARG A 107 16.875 -10.805 -2.207 1.00 0.00 H new ATOM 0 HG3 ARG A 107 16.178 -9.374 -2.940 1.00 0.00 H new ATOM 0 HD2 ARG A 107 14.452 -10.980 -2.120 1.00 0.00 H new ATOM 0 HD3 ARG A 107 14.311 -10.646 -3.835 1.00 0.00 H new ATOM 0 HE ARG A 107 15.082 -13.199 -2.583 1.00 0.00 H new ATOM 0 HH11 ARG A 107 14.962 -11.240 -5.517 1.00 0.00 H new ATOM 0 HH12 ARG A 107 15.062 -12.638 -6.592 1.00 0.00 H new ATOM 0 HH21 ARG A 107 15.213 -14.989 -3.971 1.00 0.00 H new ATOM 0 HH22 ARG A 107 15.204 -14.751 -5.721 1.00 0.00 H new ATOM 1688 N PRO A 108 19.731 -9.953 -2.227 1.00 0.00 N ATOM 1689 CA PRO A 108 20.495 -10.398 -1.058 1.00 0.00 C ATOM 1690 C PRO A 108 19.642 -11.197 -0.078 1.00 0.00 C ATOM 1691 O PRO A 108 18.469 -10.889 0.131 1.00 0.00 O ATOM 1692 CB PRO A 108 20.959 -9.087 -0.418 1.00 0.00 C ATOM 1693 CG PRO A 108 19.957 -8.076 -0.855 1.00 0.00 C ATOM 1694 CD PRO A 108 19.518 -8.496 -2.231 1.00 0.00 C ATOM 0 HA PRO A 108 21.311 -11.066 -1.334 1.00 0.00 H new ATOM 0 HB2 PRO A 108 20.992 -9.167 0.669 1.00 0.00 H new ATOM 0 HB3 PRO A 108 21.962 -8.818 -0.749 1.00 0.00 H new ATOM 0 HG2 PRO A 108 19.111 -8.043 -0.169 1.00 0.00 H new ATOM 0 HG3 PRO A 108 20.393 -7.077 -0.872 1.00 0.00 H new ATOM 0 HD2 PRO A 108 18.474 -8.243 -2.414 1.00 0.00 H new ATOM 0 HD3 PRO A 108 20.106 -8.006 -3.007 1.00 0.00 H new ATOM 1702 N GLN A 109 20.240 -12.223 0.519 1.00 0.00 N ATOM 1703 CA GLN A 109 19.534 -13.066 1.476 1.00 0.00 C ATOM 1704 C GLN A 109 20.028 -12.808 2.896 1.00 0.00 C ATOM 1705 O GLN A 109 19.244 -12.800 3.846 1.00 0.00 O ATOM 1706 CB GLN A 109 19.716 -14.542 1.120 1.00 0.00 C ATOM 1707 CG GLN A 109 18.646 -15.079 0.184 1.00 0.00 C ATOM 1708 CD GLN A 109 18.379 -14.155 -0.988 1.00 0.00 C ATOM 1709 OE1 GLN A 109 19.039 -14.240 -2.024 1.00 0.00 O ATOM 1710 NE2 GLN A 109 17.406 -13.265 -0.830 1.00 0.00 N ATOM 0 H GLN A 109 21.211 -12.490 0.357 1.00 0.00 H new ATOM 0 HA GLN A 109 18.474 -12.817 1.428 1.00 0.00 H new ATOM 0 HB2 GLN A 109 20.693 -14.677 0.657 1.00 0.00 H new ATOM 0 HB3 GLN A 109 19.714 -15.131 2.037 1.00 0.00 H new ATOM 0 HG2 GLN A 109 18.953 -16.055 -0.191 1.00 0.00 H new ATOM 0 HG3 GLN A 109 17.722 -15.228 0.742 1.00 0.00 H new ATOM 0 HE21 GLN A 109 16.884 -13.230 0.046 1.00 0.00 H new ATOM 0 HE22 GLN A 109 17.180 -12.617 -1.584 1.00 0.00 H new ATOM 1719 N THR A 110 21.333 -12.598 3.034 1.00 0.00 N ATOM 1720 CA THR A 110 21.932 -12.341 4.338 1.00 0.00 C ATOM 1721 C THR A 110 21.756 -10.883 4.747 1.00 0.00 C ATOM 1722 O THR A 110 21.812 -9.983 3.909 1.00 0.00 O ATOM 1723 CB THR A 110 23.433 -12.687 4.344 1.00 0.00 C ATOM 1724 OG1 THR A 110 24.097 -12.006 3.274 1.00 0.00 O ATOM 1725 CG2 THR A 110 23.643 -14.187 4.206 1.00 0.00 C ATOM 0 H THR A 110 21.996 -12.601 2.259 1.00 0.00 H new ATOM 0 HA THR A 110 21.416 -12.980 5.054 1.00 0.00 H new ATOM 0 HB THR A 110 23.854 -12.364 5.296 1.00 0.00 H new ATOM 0 HG1 THR A 110 25.051 -12.230 3.286 1.00 0.00 H new ATOM 0 HG21 THR A 110 24.711 -14.407 4.213 1.00 0.00 H new ATOM 0 HG22 THR A 110 23.161 -14.700 5.039 1.00 0.00 H new ATOM 0 HG23 THR A 110 23.208 -14.531 3.268 1.00 0.00 H new ATOM 1733 N ASP A 111 21.545 -10.657 6.038 1.00 0.00 N ATOM 1734 CA ASP A 111 21.363 -9.307 6.559 1.00 0.00 C ATOM 1735 C ASP A 111 22.501 -8.394 6.112 1.00 0.00 C ATOM 1736 O ASP A 111 22.267 -7.284 5.636 1.00 0.00 O ATOM 1737 CB ASP A 111 21.282 -9.332 8.086 1.00 0.00 C ATOM 1738 CG ASP A 111 20.050 -10.058 8.589 1.00 0.00 C ATOM 1739 OD1 ASP A 111 19.991 -11.297 8.445 1.00 0.00 O ATOM 1740 OD2 ASP A 111 19.143 -9.387 9.125 1.00 0.00 O ATOM 0 H ASP A 111 21.496 -11.391 6.744 1.00 0.00 H new ATOM 0 HA ASP A 111 20.428 -8.914 6.161 1.00 0.00 H new ATOM 0 HB2 ASP A 111 22.173 -9.815 8.486 1.00 0.00 H new ATOM 0 HB3 ASP A 111 21.277 -8.309 8.463 1.00 0.00 H new ATOM 1745 N GLN A 112 23.731 -8.871 6.270 1.00 0.00 N ATOM 1746 CA GLN A 112 24.905 -8.097 5.884 1.00 0.00 C ATOM 1747 C GLN A 112 24.638 -7.302 4.610 1.00 0.00 C ATOM 1748 O GLN A 112 24.982 -6.124 4.518 1.00 0.00 O ATOM 1749 CB GLN A 112 26.107 -9.020 5.681 1.00 0.00 C ATOM 1750 CG GLN A 112 27.349 -8.301 5.180 1.00 0.00 C ATOM 1751 CD GLN A 112 28.226 -7.795 6.309 1.00 0.00 C ATOM 1752 OE1 GLN A 112 28.267 -6.596 6.589 1.00 0.00 O ATOM 1753 NE2 GLN A 112 28.933 -8.707 6.965 1.00 0.00 N ATOM 0 H GLN A 112 23.941 -9.789 6.662 1.00 0.00 H new ATOM 0 HA GLN A 112 25.127 -7.396 6.688 1.00 0.00 H new ATOM 0 HB2 GLN A 112 26.339 -9.513 6.625 1.00 0.00 H new ATOM 0 HB3 GLN A 112 25.838 -9.802 4.970 1.00 0.00 H new ATOM 0 HG2 GLN A 112 27.927 -8.978 4.551 1.00 0.00 H new ATOM 0 HG3 GLN A 112 27.050 -7.461 4.553 1.00 0.00 H new ATOM 0 HE21 GLN A 112 28.869 -9.690 6.700 1.00 0.00 H new ATOM 0 HE22 GLN A 112 29.540 -8.425 7.734 1.00 0.00 H new ATOM 1762 N ALA A 113 24.025 -7.955 3.629 1.00 0.00 N ATOM 1763 CA ALA A 113 23.711 -7.309 2.360 1.00 0.00 C ATOM 1764 C ALA A 113 22.377 -6.574 2.434 1.00 0.00 C ATOM 1765 O ALA A 113 22.302 -5.374 2.168 1.00 0.00 O ATOM 1766 CB ALA A 113 23.689 -8.335 1.237 1.00 0.00 C ATOM 0 H ALA A 113 23.736 -8.931 3.688 1.00 0.00 H new ATOM 0 HA ALA A 113 24.489 -6.575 2.151 1.00 0.00 H new ATOM 0 HB1 ALA A 113 23.453 -7.839 0.295 1.00 0.00 H new ATOM 0 HB2 ALA A 113 24.666 -8.812 1.161 1.00 0.00 H new ATOM 0 HB3 ALA A 113 22.932 -9.090 1.449 1.00 0.00 H new ATOM 1772 N VAL A 114 21.325 -7.301 2.796 1.00 0.00 N ATOM 1773 CA VAL A 114 19.993 -6.718 2.905 1.00 0.00 C ATOM 1774 C VAL A 114 20.045 -5.350 3.577 1.00 0.00 C ATOM 1775 O VAL A 114 19.766 -4.329 2.950 1.00 0.00 O ATOM 1776 CB VAL A 114 19.043 -7.632 3.701 1.00 0.00 C ATOM 1777 CG1 VAL A 114 17.651 -7.023 3.772 1.00 0.00 C ATOM 1778 CG2 VAL A 114 18.996 -9.020 3.080 1.00 0.00 C ATOM 0 H VAL A 114 21.369 -8.295 3.019 1.00 0.00 H new ATOM 0 HA VAL A 114 19.613 -6.607 1.890 1.00 0.00 H new ATOM 0 HB VAL A 114 19.424 -7.726 4.718 1.00 0.00 H new ATOM 0 HG11 VAL A 114 16.994 -7.683 4.338 1.00 0.00 H new ATOM 0 HG12 VAL A 114 17.703 -6.052 4.265 1.00 0.00 H new ATOM 0 HG13 VAL A 114 17.257 -6.897 2.763 1.00 0.00 H new ATOM 0 HG21 VAL A 114 18.320 -9.653 3.655 1.00 0.00 H new ATOM 0 HG22 VAL A 114 18.639 -8.947 2.053 1.00 0.00 H new ATOM 0 HG23 VAL A 114 19.995 -9.456 3.087 1.00 0.00 H new ATOM 1788 N GLU A 115 20.406 -5.339 4.856 1.00 0.00 N ATOM 1789 CA GLU A 115 20.495 -4.095 5.613 1.00 0.00 C ATOM 1790 C GLU A 115 20.928 -2.941 4.714 1.00 0.00 C ATOM 1791 O GLU A 115 20.251 -1.916 4.631 1.00 0.00 O ATOM 1792 CB GLU A 115 21.479 -4.249 6.775 1.00 0.00 C ATOM 1793 CG GLU A 115 21.695 -2.967 7.562 1.00 0.00 C ATOM 1794 CD GLU A 115 20.761 -2.849 8.751 1.00 0.00 C ATOM 1795 OE1 GLU A 115 20.450 -3.890 9.366 1.00 0.00 O ATOM 1796 OE2 GLU A 115 20.341 -1.716 9.066 1.00 0.00 O ATOM 0 H GLU A 115 20.641 -6.176 5.390 1.00 0.00 H new ATOM 0 HA GLU A 115 19.506 -3.870 6.012 1.00 0.00 H new ATOM 0 HB2 GLU A 115 21.113 -5.023 7.450 1.00 0.00 H new ATOM 0 HB3 GLU A 115 22.437 -4.593 6.386 1.00 0.00 H new ATOM 0 HG2 GLU A 115 22.727 -2.928 7.910 1.00 0.00 H new ATOM 0 HG3 GLU A 115 21.548 -2.111 6.903 1.00 0.00 H new ATOM 1803 N PHE A 116 22.062 -3.115 4.042 1.00 0.00 N ATOM 1804 CA PHE A 116 22.587 -2.088 3.150 1.00 0.00 C ATOM 1805 C PHE A 116 21.614 -1.809 2.009 1.00 0.00 C ATOM 1806 O PHE A 116 21.310 -0.656 1.704 1.00 0.00 O ATOM 1807 CB PHE A 116 23.943 -2.517 2.586 1.00 0.00 C ATOM 1808 CG PHE A 116 25.097 -2.197 3.492 1.00 0.00 C ATOM 1809 CD1 PHE A 116 25.276 -0.912 3.981 1.00 0.00 C ATOM 1810 CD2 PHE A 116 26.004 -3.180 3.855 1.00 0.00 C ATOM 1811 CE1 PHE A 116 26.338 -0.615 4.814 1.00 0.00 C ATOM 1812 CE2 PHE A 116 27.067 -2.888 4.689 1.00 0.00 C ATOM 1813 CZ PHE A 116 27.234 -1.604 5.169 1.00 0.00 C ATOM 0 H PHE A 116 22.634 -3.957 4.099 1.00 0.00 H new ATOM 0 HA PHE A 116 22.715 -1.172 3.727 1.00 0.00 H new ATOM 0 HB2 PHE A 116 23.926 -3.590 2.398 1.00 0.00 H new ATOM 0 HB3 PHE A 116 24.099 -2.027 1.625 1.00 0.00 H new ATOM 0 HD1 PHE A 116 24.578 -0.135 3.708 1.00 0.00 H new ATOM 0 HD2 PHE A 116 25.879 -4.186 3.482 1.00 0.00 H new ATOM 0 HE1 PHE A 116 26.467 0.390 5.187 1.00 0.00 H new ATOM 0 HE2 PHE A 116 27.766 -3.663 4.965 1.00 0.00 H new ATOM 0 HZ PHE A 116 28.064 -1.374 5.821 1.00 0.00 H new ATOM 1823 N PHE A 117 21.128 -2.875 1.380 1.00 0.00 N ATOM 1824 CA PHE A 117 20.190 -2.747 0.271 1.00 0.00 C ATOM 1825 C PHE A 117 19.120 -1.704 0.581 1.00 0.00 C ATOM 1826 O PHE A 117 18.994 -0.700 -0.121 1.00 0.00 O ATOM 1827 CB PHE A 117 19.533 -4.096 -0.027 1.00 0.00 C ATOM 1828 CG PHE A 117 18.582 -4.055 -1.190 1.00 0.00 C ATOM 1829 CD1 PHE A 117 19.007 -3.617 -2.434 1.00 0.00 C ATOM 1830 CD2 PHE A 117 17.264 -4.456 -1.039 1.00 0.00 C ATOM 1831 CE1 PHE A 117 18.134 -3.578 -3.505 1.00 0.00 C ATOM 1832 CE2 PHE A 117 16.387 -4.420 -2.106 1.00 0.00 C ATOM 1833 CZ PHE A 117 16.823 -3.981 -3.341 1.00 0.00 C ATOM 0 H PHE A 117 21.369 -3.837 1.620 1.00 0.00 H new ATOM 0 HA PHE A 117 20.747 -2.420 -0.607 1.00 0.00 H new ATOM 0 HB2 PHE A 117 20.310 -4.833 -0.229 1.00 0.00 H new ATOM 0 HB3 PHE A 117 18.996 -4.434 0.860 1.00 0.00 H new ATOM 0 HD1 PHE A 117 20.031 -3.303 -2.568 1.00 0.00 H new ATOM 0 HD2 PHE A 117 16.918 -4.801 -0.076 1.00 0.00 H new ATOM 0 HE1 PHE A 117 18.477 -3.233 -4.469 1.00 0.00 H new ATOM 0 HE2 PHE A 117 15.362 -4.735 -1.975 1.00 0.00 H new ATOM 0 HZ PHE A 117 16.140 -3.953 -4.177 1.00 0.00 H new ATOM 1843 N ILE A 118 18.351 -1.950 1.636 1.00 0.00 N ATOM 1844 CA ILE A 118 17.292 -1.033 2.040 1.00 0.00 C ATOM 1845 C ILE A 118 17.863 0.324 2.437 1.00 0.00 C ATOM 1846 O ILE A 118 17.286 1.367 2.126 1.00 0.00 O ATOM 1847 CB ILE A 118 16.476 -1.599 3.217 1.00 0.00 C ATOM 1848 CG1 ILE A 118 15.796 -2.908 2.812 1.00 0.00 C ATOM 1849 CG2 ILE A 118 15.445 -0.582 3.683 1.00 0.00 C ATOM 1850 CD1 ILE A 118 15.294 -3.717 3.988 1.00 0.00 C ATOM 0 H ILE A 118 18.441 -2.777 2.227 1.00 0.00 H new ATOM 0 HA ILE A 118 16.635 -0.910 1.179 1.00 0.00 H new ATOM 0 HB ILE A 118 17.154 -1.805 4.045 1.00 0.00 H new ATOM 0 HG12 ILE A 118 14.958 -2.684 2.152 1.00 0.00 H new ATOM 0 HG13 ILE A 118 16.500 -3.512 2.240 1.00 0.00 H new ATOM 0 HG21 ILE A 118 14.876 -0.996 4.515 1.00 0.00 H new ATOM 0 HG22 ILE A 118 15.951 0.327 4.006 1.00 0.00 H new ATOM 0 HG23 ILE A 118 14.768 -0.348 2.862 1.00 0.00 H new ATOM 0 HD11 ILE A 118 14.824 -4.631 3.626 1.00 0.00 H new ATOM 0 HD12 ILE A 118 16.131 -3.972 4.638 1.00 0.00 H new ATOM 0 HD13 ILE A 118 14.565 -3.131 4.548 1.00 0.00 H new ATOM 1862 N ARG A 119 19.000 0.304 3.124 1.00 0.00 N ATOM 1863 CA ARG A 119 19.649 1.533 3.563 1.00 0.00 C ATOM 1864 C ARG A 119 20.197 2.315 2.373 1.00 0.00 C ATOM 1865 O ARG A 119 20.640 3.454 2.516 1.00 0.00 O ATOM 1866 CB ARG A 119 20.781 1.216 4.543 1.00 0.00 C ATOM 1867 CG ARG A 119 20.338 1.187 5.997 1.00 0.00 C ATOM 1868 CD ARG A 119 21.529 1.193 6.942 1.00 0.00 C ATOM 1869 NE ARG A 119 21.174 1.696 8.266 1.00 0.00 N ATOM 1870 CZ ARG A 119 22.051 1.852 9.252 1.00 0.00 C ATOM 1871 NH1 ARG A 119 23.327 1.548 9.063 1.00 0.00 N ATOM 1872 NH2 ARG A 119 21.651 2.315 10.430 1.00 0.00 N ATOM 0 H ARG A 119 19.491 -0.550 3.389 1.00 0.00 H new ATOM 0 HA ARG A 119 18.903 2.147 4.066 1.00 0.00 H new ATOM 0 HB2 ARG A 119 21.214 0.250 4.285 1.00 0.00 H new ATOM 0 HB3 ARG A 119 21.569 1.960 4.427 1.00 0.00 H new ATOM 0 HG2 ARG A 119 19.704 2.050 6.203 1.00 0.00 H new ATOM 0 HG3 ARG A 119 19.734 0.298 6.177 1.00 0.00 H new ATOM 0 HD2 ARG A 119 21.925 0.182 7.033 1.00 0.00 H new ATOM 0 HD3 ARG A 119 22.323 1.810 6.521 1.00 0.00 H new ATOM 0 HE ARG A 119 20.200 1.941 8.444 1.00 0.00 H new ATOM 0 HH11 ARG A 119 23.638 1.193 8.159 1.00 0.00 H new ATOM 0 HH12 ARG A 119 23.998 1.669 9.822 1.00 0.00 H new ATOM 0 HH21 ARG A 119 20.670 2.551 10.579 1.00 0.00 H new ATOM 0 HH22 ARG A 119 22.325 2.434 11.186 1.00 0.00 H new ATOM 1886 N ASP A 120 20.164 1.693 1.199 1.00 0.00 N ATOM 1887 CA ASP A 120 20.657 2.330 -0.017 1.00 0.00 C ATOM 1888 C ASP A 120 19.582 2.340 -1.099 1.00 0.00 C ATOM 1889 O ASP A 120 19.727 3.001 -2.128 1.00 0.00 O ATOM 1890 CB ASP A 120 21.904 1.607 -0.528 1.00 0.00 C ATOM 1891 CG ASP A 120 22.956 1.436 0.551 1.00 0.00 C ATOM 1892 OD1 ASP A 120 23.397 2.458 1.116 1.00 0.00 O ATOM 1893 OD2 ASP A 120 23.340 0.280 0.829 1.00 0.00 O ATOM 0 H ASP A 120 19.801 0.749 1.064 1.00 0.00 H new ATOM 0 HA ASP A 120 20.917 3.361 0.223 1.00 0.00 H new ATOM 0 HB2 ASP A 120 21.620 0.628 -0.914 1.00 0.00 H new ATOM 0 HB3 ASP A 120 22.329 2.167 -1.361 1.00 0.00 H new ATOM 1898 N LYS A 121 18.503 1.602 -0.860 1.00 0.00 N ATOM 1899 CA LYS A 121 17.402 1.526 -1.813 1.00 0.00 C ATOM 1900 C LYS A 121 16.323 2.553 -1.483 1.00 0.00 C ATOM 1901 O LYS A 121 15.716 3.140 -2.378 1.00 0.00 O ATOM 1902 CB LYS A 121 16.798 0.119 -1.815 1.00 0.00 C ATOM 1903 CG LYS A 121 15.906 -0.158 -3.012 1.00 0.00 C ATOM 1904 CD LYS A 121 15.132 -1.455 -2.842 1.00 0.00 C ATOM 1905 CE LYS A 121 13.793 -1.220 -2.158 1.00 0.00 C ATOM 1906 NZ LYS A 121 13.286 -2.452 -1.493 1.00 0.00 N ATOM 0 H LYS A 121 18.368 1.048 -0.014 1.00 0.00 H new ATOM 0 HA LYS A 121 17.798 1.747 -2.804 1.00 0.00 H new ATOM 0 HB2 LYS A 121 17.605 -0.614 -1.796 1.00 0.00 H new ATOM 0 HB3 LYS A 121 16.220 -0.020 -0.902 1.00 0.00 H new ATOM 0 HG2 LYS A 121 15.208 0.668 -3.146 1.00 0.00 H new ATOM 0 HG3 LYS A 121 16.514 -0.212 -3.915 1.00 0.00 H new ATOM 0 HD2 LYS A 121 14.968 -1.913 -3.818 1.00 0.00 H new ATOM 0 HD3 LYS A 121 15.723 -2.158 -2.255 1.00 0.00 H new ATOM 0 HE2 LYS A 121 13.897 -0.425 -1.419 1.00 0.00 H new ATOM 0 HE3 LYS A 121 13.065 -0.878 -2.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 12.265 -2.546 -1.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 13.781 -3.282 -1.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 13.458 -2.390 -0.469 1.00 0.00 H new ATOM 1920 N TYR A 122 16.091 2.765 -0.192 1.00 0.00 N ATOM 1921 CA TYR A 122 15.085 3.721 0.256 1.00 0.00 C ATOM 1922 C TYR A 122 15.741 4.978 0.818 1.00 0.00 C ATOM 1923 O TYR A 122 15.358 6.097 0.476 1.00 0.00 O ATOM 1924 CB TYR A 122 14.184 3.085 1.316 1.00 0.00 C ATOM 1925 CG TYR A 122 12.985 2.367 0.740 1.00 0.00 C ATOM 1926 CD1 TYR A 122 11.786 3.035 0.527 1.00 0.00 C ATOM 1927 CD2 TYR A 122 13.052 1.019 0.407 1.00 0.00 C ATOM 1928 CE1 TYR A 122 10.688 2.382 0.001 1.00 0.00 C ATOM 1929 CE2 TYR A 122 11.960 0.359 -0.121 1.00 0.00 C ATOM 1930 CZ TYR A 122 10.780 1.044 -0.321 1.00 0.00 C ATOM 1931 OH TYR A 122 9.689 0.391 -0.847 1.00 0.00 O ATOM 0 H TYR A 122 16.585 2.288 0.562 1.00 0.00 H new ATOM 0 HA TYR A 122 14.479 4.003 -0.605 1.00 0.00 H new ATOM 0 HB2 TYR A 122 14.771 2.380 1.904 1.00 0.00 H new ATOM 0 HB3 TYR A 122 13.839 3.860 2.000 1.00 0.00 H new ATOM 0 HD1 TYR A 122 11.711 4.083 0.777 1.00 0.00 H new ATOM 0 HD2 TYR A 122 13.974 0.479 0.564 1.00 0.00 H new ATOM 0 HE1 TYR A 122 9.763 2.916 -0.157 1.00 0.00 H new ATOM 0 HE2 TYR A 122 12.030 -0.688 -0.376 1.00 0.00 H new ATOM 0 HH TYR A 122 9.459 0.785 -1.714 1.00 0.00 H new ATOM 1941 N GLU A 123 16.732 4.785 1.683 1.00 0.00 N ATOM 1942 CA GLU A 123 17.442 5.904 2.293 1.00 0.00 C ATOM 1943 C GLU A 123 18.218 6.693 1.243 1.00 0.00 C ATOM 1944 O GLU A 123 17.933 7.865 0.994 1.00 0.00 O ATOM 1945 CB GLU A 123 18.397 5.400 3.377 1.00 0.00 C ATOM 1946 CG GLU A 123 18.610 6.392 4.509 1.00 0.00 C ATOM 1947 CD GLU A 123 19.392 5.798 5.664 1.00 0.00 C ATOM 1948 OE1 GLU A 123 20.416 5.132 5.407 1.00 0.00 O ATOM 1949 OE2 GLU A 123 18.980 6.000 6.826 1.00 0.00 O ATOM 0 H GLU A 123 17.061 3.865 1.977 1.00 0.00 H new ATOM 0 HA GLU A 123 16.704 6.565 2.747 1.00 0.00 H new ATOM 0 HB2 GLU A 123 18.007 4.469 3.789 1.00 0.00 H new ATOM 0 HB3 GLU A 123 19.360 5.168 2.922 1.00 0.00 H new ATOM 0 HG2 GLU A 123 19.139 7.265 4.127 1.00 0.00 H new ATOM 0 HG3 GLU A 123 17.642 6.739 4.870 1.00 0.00 H new ATOM 1956 N LYS A 124 19.201 6.043 0.629 1.00 0.00 N ATOM 1957 CA LYS A 124 20.020 6.682 -0.395 1.00 0.00 C ATOM 1958 C LYS A 124 19.229 6.866 -1.686 1.00 0.00 C ATOM 1959 O LYS A 124 19.569 7.706 -2.520 1.00 0.00 O ATOM 1960 CB LYS A 124 21.274 5.849 -0.667 1.00 0.00 C ATOM 1961 CG LYS A 124 22.132 5.620 0.566 1.00 0.00 C ATOM 1962 CD LYS A 124 23.076 6.785 0.813 1.00 0.00 C ATOM 1963 CE LYS A 124 24.332 6.339 1.546 1.00 0.00 C ATOM 1964 NZ LYS A 124 25.309 5.691 0.628 1.00 0.00 N ATOM 0 H LYS A 124 19.450 5.073 0.823 1.00 0.00 H new ATOM 0 HA LYS A 124 20.317 7.664 -0.028 1.00 0.00 H new ATOM 0 HB2 LYS A 124 20.977 4.884 -1.077 1.00 0.00 H new ATOM 0 HB3 LYS A 124 21.873 6.348 -1.429 1.00 0.00 H new ATOM 0 HG2 LYS A 124 21.490 5.480 1.436 1.00 0.00 H new ATOM 0 HG3 LYS A 124 22.708 4.703 0.444 1.00 0.00 H new ATOM 0 HD2 LYS A 124 23.351 7.240 -0.139 1.00 0.00 H new ATOM 0 HD3 LYS A 124 22.565 7.551 1.397 1.00 0.00 H new ATOM 0 HE2 LYS A 124 24.799 7.200 2.024 1.00 0.00 H new ATOM 0 HE3 LYS A 124 24.061 5.642 2.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 26.151 5.401 1.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 24.872 4.854 0.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 25.587 6.364 -0.114 1.00 0.00 H new ATOM 1978 N LYS A 125 18.172 6.077 -1.845 1.00 0.00 N ATOM 1979 CA LYS A 125 17.331 6.155 -3.034 1.00 0.00 C ATOM 1980 C LYS A 125 18.150 5.909 -4.297 1.00 0.00 C ATOM 1981 O LYS A 125 17.911 6.528 -5.334 1.00 0.00 O ATOM 1982 CB LYS A 125 16.649 7.522 -3.113 1.00 0.00 C ATOM 1983 CG LYS A 125 15.666 7.778 -1.983 1.00 0.00 C ATOM 1984 CD LYS A 125 14.384 6.984 -2.169 1.00 0.00 C ATOM 1985 CE LYS A 125 13.219 7.625 -1.431 1.00 0.00 C ATOM 1986 NZ LYS A 125 12.008 6.759 -1.448 1.00 0.00 N ATOM 0 H LYS A 125 17.877 5.376 -1.165 1.00 0.00 H new ATOM 0 HA LYS A 125 16.568 5.380 -2.960 1.00 0.00 H new ATOM 0 HB2 LYS A 125 17.412 8.300 -3.103 1.00 0.00 H new ATOM 0 HB3 LYS A 125 16.124 7.602 -4.065 1.00 0.00 H new ATOM 0 HG2 LYS A 125 16.126 7.510 -1.032 1.00 0.00 H new ATOM 0 HG3 LYS A 125 15.433 8.842 -1.936 1.00 0.00 H new ATOM 0 HD2 LYS A 125 14.149 6.914 -3.231 1.00 0.00 H new ATOM 0 HD3 LYS A 125 14.529 5.966 -1.807 1.00 0.00 H new ATOM 0 HE2 LYS A 125 13.508 7.825 -0.399 1.00 0.00 H new ATOM 0 HE3 LYS A 125 12.984 8.586 -1.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 11.200 7.284 -1.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 11.796 6.478 -2.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 12.181 5.910 -0.873 1.00 0.00 H new ATOM 2000 N LYS A 126 19.115 5.001 -4.204 1.00 0.00 N ATOM 2001 CA LYS A 126 19.968 4.671 -5.339 1.00 0.00 C ATOM 2002 C LYS A 126 19.134 4.207 -6.529 1.00 0.00 C ATOM 2003 O LYS A 126 19.091 4.871 -7.566 1.00 0.00 O ATOM 2004 CB LYS A 126 20.971 3.583 -4.951 1.00 0.00 C ATOM 2005 CG LYS A 126 22.279 4.128 -4.402 1.00 0.00 C ATOM 2006 CD LYS A 126 23.211 3.010 -3.967 1.00 0.00 C ATOM 2007 CE LYS A 126 24.014 2.466 -5.139 1.00 0.00 C ATOM 2008 NZ LYS A 126 25.238 3.274 -5.395 1.00 0.00 N ATOM 0 H LYS A 126 19.326 4.480 -3.353 1.00 0.00 H new ATOM 0 HA LYS A 126 20.511 5.571 -5.627 1.00 0.00 H new ATOM 0 HB2 LYS A 126 20.517 2.932 -4.204 1.00 0.00 H new ATOM 0 HB3 LYS A 126 21.182 2.967 -5.825 1.00 0.00 H new ATOM 0 HG2 LYS A 126 22.769 4.736 -5.163 1.00 0.00 H new ATOM 0 HG3 LYS A 126 22.074 4.782 -3.555 1.00 0.00 H new ATOM 0 HD2 LYS A 126 23.891 3.380 -3.199 1.00 0.00 H new ATOM 0 HD3 LYS A 126 22.630 2.205 -3.518 1.00 0.00 H new ATOM 0 HE2 LYS A 126 24.297 1.433 -4.937 1.00 0.00 H new ATOM 0 HE3 LYS A 126 23.391 2.457 -6.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 25.758 2.871 -6.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 24.968 4.254 -5.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 25.845 3.262 -4.551 1.00 0.00 H new ATOM 2022 N TYR A 127 18.473 3.066 -6.373 1.00 0.00 N ATOM 2023 CA TYR A 127 17.641 2.513 -7.436 1.00 0.00 C ATOM 2024 C TYR A 127 16.244 3.125 -7.408 1.00 0.00 C ATOM 2025 O TYR A 127 15.258 2.464 -7.735 1.00 0.00 O ATOM 2026 CB TYR A 127 17.547 0.992 -7.299 1.00 0.00 C ATOM 2027 CG TYR A 127 18.853 0.337 -6.910 1.00 0.00 C ATOM 2028 CD1 TYR A 127 19.268 0.303 -5.585 1.00 0.00 C ATOM 2029 CD2 TYR A 127 19.673 -0.247 -7.868 1.00 0.00 C ATOM 2030 CE1 TYR A 127 20.461 -0.294 -5.225 1.00 0.00 C ATOM 2031 CE2 TYR A 127 20.866 -0.848 -7.517 1.00 0.00 C ATOM 2032 CZ TYR A 127 21.256 -0.868 -6.194 1.00 0.00 C ATOM 2033 OH TYR A 127 22.445 -1.464 -5.841 1.00 0.00 O ATOM 0 H TYR A 127 18.497 2.506 -5.521 1.00 0.00 H new ATOM 0 HA TYR A 127 18.106 2.757 -8.391 1.00 0.00 H new ATOM 0 HB2 TYR A 127 16.792 0.749 -6.552 1.00 0.00 H new ATOM 0 HB3 TYR A 127 17.207 0.571 -8.245 1.00 0.00 H new ATOM 0 HD1 TYR A 127 18.648 0.751 -4.823 1.00 0.00 H new ATOM 0 HD2 TYR A 127 19.372 -0.231 -8.905 1.00 0.00 H new ATOM 0 HE1 TYR A 127 20.769 -0.311 -4.190 1.00 0.00 H new ATOM 0 HE2 TYR A 127 21.490 -1.300 -8.274 1.00 0.00 H new ATOM 0 HH TYR A 127 22.883 -1.820 -6.642 1.00 0.00 H new ATOM 2043 N TYR A 128 16.168 4.391 -7.014 1.00 0.00 N ATOM 2044 CA TYR A 128 14.892 5.094 -6.941 1.00 0.00 C ATOM 2045 C TYR A 128 14.581 5.797 -8.259 1.00 0.00 C ATOM 2046 O TYR A 128 15.356 6.630 -8.729 1.00 0.00 O ATOM 2047 CB TYR A 128 14.911 6.111 -5.799 1.00 0.00 C ATOM 2048 CG TYR A 128 13.573 6.772 -5.555 1.00 0.00 C ATOM 2049 CD1 TYR A 128 12.524 6.068 -4.978 1.00 0.00 C ATOM 2050 CD2 TYR A 128 13.359 8.101 -5.900 1.00 0.00 C ATOM 2051 CE1 TYR A 128 11.300 6.668 -4.753 1.00 0.00 C ATOM 2052 CE2 TYR A 128 12.139 8.709 -5.678 1.00 0.00 C ATOM 2053 CZ TYR A 128 11.112 7.988 -5.105 1.00 0.00 C ATOM 2054 OH TYR A 128 9.895 8.589 -4.882 1.00 0.00 O ATOM 0 H TYR A 128 16.975 4.952 -6.740 1.00 0.00 H new ATOM 0 HA TYR A 128 14.111 4.358 -6.750 1.00 0.00 H new ATOM 0 HB2 TYR A 128 15.233 5.612 -4.885 1.00 0.00 H new ATOM 0 HB3 TYR A 128 15.652 6.880 -6.020 1.00 0.00 H new ATOM 0 HD1 TYR A 128 12.668 5.034 -4.701 1.00 0.00 H new ATOM 0 HD2 TYR A 128 14.161 8.668 -6.350 1.00 0.00 H new ATOM 0 HE1 TYR A 128 10.495 6.106 -4.304 1.00 0.00 H new ATOM 0 HE2 TYR A 128 11.990 9.743 -5.951 1.00 0.00 H new ATOM 0 HH TYR A 128 9.929 9.520 -5.186 1.00 0.00 H new ATOM 2064 N ASP A 129 13.441 5.455 -8.849 1.00 0.00 N ATOM 2065 CA ASP A 129 13.025 6.054 -10.112 1.00 0.00 C ATOM 2066 C ASP A 129 12.163 7.289 -9.870 1.00 0.00 C ATOM 2067 O ASP A 129 11.023 7.364 -10.327 1.00 0.00 O ATOM 2068 CB ASP A 129 12.253 5.036 -10.954 1.00 0.00 C ATOM 2069 CG ASP A 129 12.355 5.317 -12.440 1.00 0.00 C ATOM 2070 OD1 ASP A 129 11.794 6.338 -12.890 1.00 0.00 O ATOM 2071 OD2 ASP A 129 12.995 4.516 -13.153 1.00 0.00 O ATOM 0 H ASP A 129 12.789 4.767 -8.473 1.00 0.00 H new ATOM 0 HA ASP A 129 13.921 6.358 -10.654 1.00 0.00 H new ATOM 0 HB2 ASP A 129 12.635 4.036 -10.749 1.00 0.00 H new ATOM 0 HB3 ASP A 129 11.204 5.044 -10.657 1.00 0.00 H new