USER MOD reduce.3.24.130724 H: found=0, std=0, add=892, rem=0, adj=24 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 121 LYS NZ :NH3+ 170:sc= 0.624 (180deg=0.571) USER MOD Set 1.2: A 122 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 78 THR OG1 : rot 75:sc= 0.233 USER MOD Set 2.2: A 81 GLN : amide:sc= -0.91 K(o=-0.68,f=-8.5!) USER MOD Set 3.1: A 44 SER OG : rot 33:sc= 1.27 USER MOD Set 3.2: A 59 HIS : no HD1:sc= -0.944 X(o=0.0016,f=0.16) USER MOD Set 3.3: A 67 SER OG : rot 10:sc= -0.329 USER MOD Set 4.1: A 32 CYS SG : rot -169:sc= -0.743 USER MOD Set 4.2: A 35 CYS SG : rot 160:sc= -2.14! USER MOD Set 4.3: A 52 CYS SG : rot -128:sc= 2.06 USER MOD Set 4.4: A 55 CYS SG : rot 91:sc= -0.667 USER MOD Single : A 16 HIS : no HD1:sc= -1.23 K(o=-1.2,f=-2.4!) USER MOD Single : A 17 GLN : amide:sc= -0.496 X(o=-0.5,f=-0.9) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -2.85 K(o=-2.8,f=-11!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.429 X(o=-0.43,f=-0.023) USER MOD Single : A 61 ASN : amide:sc= -7.76! C(o=-7.8!,f=-10!) USER MOD Single : A 65 HIS : no HD1:sc= -2.53! C(o=-2.5!,f=-2.9!) USER MOD Single : A 70 LYS NZ :NH3+ -164:sc= 2.01 (180deg=1.5) USER MOD Single : A 71 SER OG : rot 27:sc= 0.257 USER MOD Single : A 73 ASN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 76 GLN : amide:sc= -0.444 X(o=-0.44,f=-0.11) USER MOD Single : A 83 GLN : amide:sc= -0.125 X(o=-0.12,f=0) USER MOD Single : A 84 CYS SG : rot -127:sc= 0.145 USER MOD Single : A 85 MET CE :methyl -121:sc= -4.42 (180deg=-5.72!) USER MOD Single : A 86 GLN :FLIP amide:sc= -4.61 F(o=-6.3!,f=-4.6) USER MOD Single : A 88 MET CE :methyl -171:sc= -1.53 (180deg=-1.66) USER MOD Single : A 90 ASN : amide:sc= -0.206 K(o=-0.21,f=-7.6!) 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 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 ASN :FLIP amide:sc= -0.183 F(o=-2.6,f=-0.18) USER MOD Single : A 109 GLN : amide:sc= -0.569 X(o=-0.57,f=-0.27) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= -0.206 K(o=-0.21,f=-0.75) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ -108:sc= 1.22 (180deg=-0.119) 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 -10.369 -2.464 8.631 1.00 0.00 N ATOM 203 CA HIS A 16 -8.971 -2.356 8.229 1.00 0.00 C ATOM 204 C HIS A 16 -8.332 -3.736 8.111 1.00 0.00 C ATOM 205 O HIS A 16 -7.859 -4.121 7.041 1.00 0.00 O ATOM 206 CB HIS A 16 -8.193 -1.506 9.235 1.00 0.00 C ATOM 207 CG HIS A 16 -8.806 -0.162 9.484 1.00 0.00 C ATOM 208 ND1 HIS A 16 -9.242 0.665 8.470 1.00 0.00 N ATOM 209 CD2 HIS A 16 -9.056 0.497 10.639 1.00 0.00 C ATOM 210 CE1 HIS A 16 -9.733 1.776 8.992 1.00 0.00 C ATOM 211 NE2 HIS A 16 -9.632 1.698 10.307 1.00 0.00 N ATOM 0 HA HIS A 16 -8.936 -1.873 7.252 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -8.126 -2.046 10.179 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -7.174 -1.370 8.872 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -8.842 0.144 11.637 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -10.146 2.606 8.438 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -9.933 2.414 10.968 1.00 0.00 H new ATOM 219 N GLN A 17 -8.321 -4.475 9.215 1.00 0.00 N ATOM 220 CA GLN A 17 -7.738 -5.812 9.234 1.00 0.00 C ATOM 221 C GLN A 17 -7.945 -6.514 7.896 1.00 0.00 C ATOM 222 O GLN A 17 -6.982 -6.851 7.205 1.00 0.00 O ATOM 223 CB GLN A 17 -8.354 -6.644 10.360 1.00 0.00 C ATOM 224 CG GLN A 17 -7.662 -6.458 11.701 1.00 0.00 C ATOM 225 CD GLN A 17 -7.777 -5.040 12.226 1.00 0.00 C ATOM 226 OE1 GLN A 17 -8.878 -4.514 12.390 1.00 0.00 O ATOM 227 NE2 GLN A 17 -6.637 -4.413 12.493 1.00 0.00 N ATOM 0 H GLN A 17 -8.709 -4.171 10.108 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.667 -5.712 9.410 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.406 -6.378 10.463 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -8.317 -7.698 10.084 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -8.094 -7.146 12.427 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -6.609 -6.720 11.601 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.747 -4.887 12.342 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -6.652 -3.457 12.849 1.00 0.00 H new ATOM 236 N LEU A 18 -9.205 -6.733 7.536 1.00 0.00 N ATOM 237 CA LEU A 18 -9.538 -7.396 6.281 1.00 0.00 C ATOM 238 C LEU A 18 -8.734 -6.809 5.125 1.00 0.00 C ATOM 239 O LEU A 18 -7.879 -7.481 4.546 1.00 0.00 O ATOM 240 CB LEU A 18 -11.035 -7.265 5.993 1.00 0.00 C ATOM 241 CG LEU A 18 -11.587 -8.165 4.887 1.00 0.00 C ATOM 242 CD1 LEU A 18 -11.858 -9.563 5.420 1.00 0.00 C ATOM 243 CD2 LEU A 18 -12.853 -7.564 4.293 1.00 0.00 C ATOM 0 H LEU A 18 -10.013 -6.461 8.096 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.284 -8.451 6.378 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.581 -7.476 6.912 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.244 -6.228 5.729 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.838 -8.239 4.098 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -12.250 -10.188 4.618 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.931 -9.995 5.796 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.588 -9.509 6.228 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -13.232 -8.218 3.507 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -13.607 -7.459 5.073 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -12.628 -6.584 3.872 1.00 0.00 H new ATOM 255 N ILE A 19 -9.011 -5.552 4.796 1.00 0.00 N ATOM 256 CA ILE A 19 -8.311 -4.875 3.712 1.00 0.00 C ATOM 257 C ILE A 19 -6.854 -5.317 3.637 1.00 0.00 C ATOM 258 O ILE A 19 -6.445 -5.991 2.691 1.00 0.00 O ATOM 259 CB ILE A 19 -8.364 -3.344 3.878 1.00 0.00 C ATOM 260 CG1 ILE A 19 -9.812 -2.854 3.833 1.00 0.00 C ATOM 261 CG2 ILE A 19 -7.535 -2.666 2.797 1.00 0.00 C ATOM 262 CD1 ILE A 19 -10.024 -1.530 4.532 1.00 0.00 C ATOM 0 H ILE A 19 -9.715 -4.982 5.265 1.00 0.00 H new ATOM 0 HA ILE A 19 -8.819 -5.150 2.788 1.00 0.00 H new ATOM 0 HB ILE A 19 -7.943 -3.083 4.849 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -10.123 -2.760 2.793 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -10.455 -3.605 4.292 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -7.582 -1.585 2.927 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.499 -2.996 2.872 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -7.930 -2.931 1.816 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.073 -1.245 4.460 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -9.745 -1.624 5.581 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -9.407 -0.766 4.059 1.00 0.00 H new ATOM 274 N LEU A 20 -6.073 -4.935 4.642 1.00 0.00 N ATOM 275 CA LEU A 20 -4.660 -5.293 4.692 1.00 0.00 C ATOM 276 C LEU A 20 -4.453 -6.749 4.288 1.00 0.00 C ATOM 277 O LEU A 20 -3.557 -7.065 3.505 1.00 0.00 O ATOM 278 CB LEU A 20 -4.104 -5.059 6.098 1.00 0.00 C ATOM 279 CG LEU A 20 -3.973 -3.599 6.533 1.00 0.00 C ATOM 280 CD1 LEU A 20 -4.137 -3.474 8.040 1.00 0.00 C ATOM 281 CD2 LEU A 20 -2.633 -3.029 6.091 1.00 0.00 C ATOM 0 H LEU A 20 -6.395 -4.377 5.433 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.125 -4.659 3.985 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.747 -5.574 6.812 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.121 -5.526 6.161 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.765 -3.024 6.053 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.041 -2.428 8.331 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.121 -3.842 8.331 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.367 -4.062 8.540 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.557 -1.989 6.409 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.826 -3.606 6.542 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.555 -3.083 5.005 1.00 0.00 H new ATOM 293 N SER A 21 -5.289 -7.632 4.825 1.00 0.00 N ATOM 294 CA SER A 21 -5.197 -9.055 4.521 1.00 0.00 C ATOM 295 C SER A 21 -5.497 -9.317 3.048 1.00 0.00 C ATOM 296 O SER A 21 -4.863 -10.159 2.412 1.00 0.00 O ATOM 297 CB SER A 21 -6.164 -9.850 5.400 1.00 0.00 C ATOM 298 OG SER A 21 -6.215 -11.209 5.003 1.00 0.00 O ATOM 0 H SER A 21 -6.038 -7.387 5.473 1.00 0.00 H new ATOM 0 HA SER A 21 -4.178 -9.380 4.729 1.00 0.00 H new ATOM 0 HB2 SER A 21 -5.851 -9.784 6.442 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.160 -9.412 5.338 1.00 0.00 H new ATOM 0 HG SER A 21 -6.839 -11.696 5.581 1.00 0.00 H new ATOM 304 N LYS A 22 -6.471 -8.589 2.512 1.00 0.00 N ATOM 305 CA LYS A 22 -6.858 -8.739 1.114 1.00 0.00 C ATOM 306 C LYS A 22 -5.682 -8.440 0.189 1.00 0.00 C ATOM 307 O LYS A 22 -5.519 -9.079 -0.852 1.00 0.00 O ATOM 308 CB LYS A 22 -8.029 -7.811 0.784 1.00 0.00 C ATOM 309 CG LYS A 22 -9.390 -8.445 1.010 1.00 0.00 C ATOM 310 CD LYS A 22 -10.499 -7.406 0.996 1.00 0.00 C ATOM 311 CE LYS A 22 -11.872 -8.058 0.951 1.00 0.00 C ATOM 312 NZ LYS A 22 -12.889 -7.166 0.327 1.00 0.00 N ATOM 0 H LYS A 22 -7.007 -7.889 3.025 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.167 -9.773 0.958 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.951 -6.911 1.394 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.952 -7.498 -0.257 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.578 -9.190 0.237 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.394 -8.970 1.965 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.422 -6.778 1.884 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -10.377 -6.753 0.132 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.813 -8.990 0.389 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -12.186 -8.315 1.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.811 -7.646 0.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.964 -6.287 0.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.603 -6.942 -0.647 1.00 0.00 H new ATOM 326 N LEU A 23 -4.864 -7.467 0.575 1.00 0.00 N ATOM 327 CA LEU A 23 -3.702 -7.084 -0.219 1.00 0.00 C ATOM 328 C LEU A 23 -2.660 -8.198 -0.231 1.00 0.00 C ATOM 329 O LEU A 23 -2.242 -8.660 -1.294 1.00 0.00 O ATOM 330 CB LEU A 23 -3.084 -5.798 0.333 1.00 0.00 C ATOM 331 CG LEU A 23 -4.049 -4.634 0.561 1.00 0.00 C ATOM 332 CD1 LEU A 23 -3.302 -3.415 1.080 1.00 0.00 C ATOM 333 CD2 LEU A 23 -4.794 -4.299 -0.722 1.00 0.00 C ATOM 0 H LEU A 23 -4.984 -6.929 1.433 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.033 -6.910 -1.243 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.596 -6.030 1.280 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.305 -5.469 -0.355 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.779 -4.935 1.313 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.005 -2.597 1.236 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.816 -3.661 2.024 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.549 -3.112 0.352 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.476 -3.468 -0.540 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.079 -4.019 -1.495 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.362 -5.169 -1.051 1.00 0.00 H new ATOM 345 N LEU A 24 -2.246 -8.626 0.956 1.00 0.00 N ATOM 346 CA LEU A 24 -1.254 -9.688 1.083 1.00 0.00 C ATOM 347 C LEU A 24 -1.609 -10.874 0.192 1.00 0.00 C ATOM 348 O LEU A 24 -0.744 -11.442 -0.477 1.00 0.00 O ATOM 349 CB LEU A 24 -1.149 -10.144 2.540 1.00 0.00 C ATOM 350 CG LEU A 24 -0.399 -9.204 3.484 1.00 0.00 C ATOM 351 CD1 LEU A 24 -0.521 -9.684 4.922 1.00 0.00 C ATOM 352 CD2 LEU A 24 1.064 -9.096 3.079 1.00 0.00 C ATOM 0 H LEU A 24 -2.582 -8.254 1.845 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.291 -9.291 0.762 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.157 -10.288 2.928 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.657 -11.116 2.561 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.849 -8.214 3.413 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.019 -9.003 5.580 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.572 -9.709 5.209 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.097 -10.684 5.009 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.582 -8.423 3.762 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.527 -10.082 3.121 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.133 -8.706 2.064 1.00 0.00 H new ATOM 364 N ARG A 25 -2.886 -11.242 0.185 1.00 0.00 N ATOM 365 CA ARG A 25 -3.355 -12.359 -0.625 1.00 0.00 C ATOM 366 C ARG A 25 -2.789 -12.281 -2.039 1.00 0.00 C ATOM 367 O ARG A 25 -2.519 -13.304 -2.667 1.00 0.00 O ATOM 368 CB ARG A 25 -4.884 -12.373 -0.676 1.00 0.00 C ATOM 369 CG ARG A 25 -5.523 -13.188 0.436 1.00 0.00 C ATOM 370 CD ARG A 25 -7.041 -13.091 0.396 1.00 0.00 C ATOM 371 NE ARG A 25 -7.636 -13.271 1.718 1.00 0.00 N ATOM 372 CZ ARG A 25 -8.909 -13.594 1.912 1.00 0.00 C ATOM 373 NH1 ARG A 25 -9.717 -13.772 0.876 1.00 0.00 N ATOM 374 NH2 ARG A 25 -9.377 -13.741 3.145 1.00 0.00 N ATOM 0 H ARG A 25 -3.614 -10.782 0.732 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.005 -13.282 -0.163 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.250 -11.348 -0.620 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.203 -12.774 -1.638 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.221 -14.231 0.343 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.160 -12.836 1.402 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.332 -12.119 -0.003 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.435 -13.846 -0.285 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.041 -13.141 2.536 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -9.361 -13.661 -0.073 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -10.695 -14.020 1.028 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.759 -13.606 3.945 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.355 -13.989 3.293 1.00 0.00 H new ATOM 388 N GLU A 26 -2.611 -11.060 -2.534 1.00 0.00 N ATOM 389 CA GLU A 26 -2.078 -10.849 -3.874 1.00 0.00 C ATOM 390 C GLU A 26 -0.629 -11.319 -3.964 1.00 0.00 C ATOM 391 O GLU A 26 0.169 -11.079 -3.058 1.00 0.00 O ATOM 392 CB GLU A 26 -2.170 -9.370 -4.258 1.00 0.00 C ATOM 393 CG GLU A 26 -3.585 -8.818 -4.214 1.00 0.00 C ATOM 394 CD GLU A 26 -4.401 -9.205 -5.432 1.00 0.00 C ATOM 395 OE1 GLU A 26 -3.848 -9.177 -6.551 1.00 0.00 O ATOM 396 OE2 GLU A 26 -5.593 -9.537 -5.265 1.00 0.00 O ATOM 0 H GLU A 26 -2.828 -10.202 -2.027 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.677 -11.436 -4.571 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.541 -8.788 -3.584 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.768 -9.238 -5.263 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.085 -9.181 -3.316 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.545 -7.731 -4.139 1.00 0.00 H new ATOM 403 N GLU A 27 -0.298 -11.991 -5.062 1.00 0.00 N ATOM 404 CA GLU A 27 1.054 -12.496 -5.269 1.00 0.00 C ATOM 405 C GLU A 27 2.082 -11.378 -5.115 1.00 0.00 C ATOM 406 O GLU A 27 3.210 -11.613 -4.681 1.00 0.00 O ATOM 407 CB GLU A 27 1.179 -13.131 -6.656 1.00 0.00 C ATOM 408 CG GLU A 27 0.520 -14.496 -6.761 1.00 0.00 C ATOM 409 CD GLU A 27 0.646 -15.098 -8.147 1.00 0.00 C ATOM 410 OE1 GLU A 27 -0.020 -14.595 -9.076 1.00 0.00 O ATOM 411 OE2 GLU A 27 1.411 -16.074 -8.303 1.00 0.00 O ATOM 0 H GLU A 27 -0.947 -12.198 -5.821 1.00 0.00 H new ATOM 0 HA GLU A 27 1.251 -13.254 -4.511 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.733 -12.464 -7.394 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.235 -13.226 -6.909 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.971 -15.170 -6.033 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.535 -14.407 -6.502 1.00 0.00 H new ATOM 418 N ASP A 28 1.684 -10.163 -5.474 1.00 0.00 N ATOM 419 CA ASP A 28 2.569 -9.008 -5.376 1.00 0.00 C ATOM 420 C ASP A 28 2.871 -8.678 -3.918 1.00 0.00 C ATOM 421 O ASP A 28 3.893 -8.067 -3.608 1.00 0.00 O ATOM 422 CB ASP A 28 1.941 -7.797 -6.067 1.00 0.00 C ATOM 423 CG ASP A 28 2.979 -6.875 -6.677 1.00 0.00 C ATOM 424 OD1 ASP A 28 3.773 -6.288 -5.912 1.00 0.00 O ATOM 425 OD2 ASP A 28 2.997 -6.742 -7.918 1.00 0.00 O ATOM 0 H ASP A 28 0.754 -9.952 -5.836 1.00 0.00 H new ATOM 0 HA ASP A 28 3.506 -9.255 -5.875 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.261 -8.140 -6.847 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.344 -7.240 -5.345 1.00 0.00 H new ATOM 430 N ASN A 29 1.974 -9.085 -3.026 1.00 0.00 N ATOM 431 CA ASN A 29 2.144 -8.831 -1.600 1.00 0.00 C ATOM 432 C ASN A 29 2.246 -10.139 -0.822 1.00 0.00 C ATOM 433 O ASN A 29 2.148 -10.155 0.405 1.00 0.00 O ATOM 434 CB ASN A 29 0.977 -7.998 -1.066 1.00 0.00 C ATOM 435 CG ASN A 29 0.798 -6.699 -1.828 1.00 0.00 C ATOM 436 OD1 ASN A 29 1.392 -6.501 -2.888 1.00 0.00 O ATOM 437 ND2 ASN A 29 -0.025 -5.806 -1.290 1.00 0.00 N ATOM 0 H ASN A 29 1.122 -9.592 -3.265 1.00 0.00 H new ATOM 0 HA ASN A 29 3.072 -8.275 -1.464 1.00 0.00 H new ATOM 0 HB2 ASN A 29 0.059 -8.582 -1.128 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.144 -7.778 -0.012 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.186 -4.914 -1.757 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.496 -6.012 -0.409 1.00 0.00 H new ATOM 444 N LYS A 30 2.445 -11.237 -1.545 1.00 0.00 N ATOM 445 CA LYS A 30 2.564 -12.551 -0.924 1.00 0.00 C ATOM 446 C LYS A 30 3.944 -12.736 -0.302 1.00 0.00 C ATOM 447 O LYS A 30 4.117 -13.534 0.620 1.00 0.00 O ATOM 448 CB LYS A 30 2.306 -13.650 -1.957 1.00 0.00 C ATOM 449 CG LYS A 30 0.842 -14.033 -2.086 1.00 0.00 C ATOM 450 CD LYS A 30 0.679 -15.407 -2.713 1.00 0.00 C ATOM 451 CE LYS A 30 -0.772 -15.686 -3.075 1.00 0.00 C ATOM 452 NZ LYS A 30 -1.005 -17.128 -3.366 1.00 0.00 N ATOM 0 H LYS A 30 2.527 -11.242 -2.562 1.00 0.00 H new ATOM 0 HA LYS A 30 1.817 -12.621 -0.133 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.673 -13.317 -2.928 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.882 -14.535 -1.685 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.374 -14.023 -1.102 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.323 -13.291 -2.693 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.298 -15.476 -3.608 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.035 -16.169 -2.020 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.417 -15.372 -2.255 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.050 -15.091 -3.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.006 -17.276 -3.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.408 -17.422 -4.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.764 -17.695 -2.528 1.00 0.00 H new ATOM 466 N TYR A 31 4.921 -11.994 -0.809 1.00 0.00 N ATOM 467 CA TYR A 31 6.286 -12.078 -0.303 1.00 0.00 C ATOM 468 C TYR A 31 6.861 -10.687 -0.053 1.00 0.00 C ATOM 469 O TYR A 31 6.400 -9.700 -0.627 1.00 0.00 O ATOM 470 CB TYR A 31 7.173 -12.838 -1.291 1.00 0.00 C ATOM 471 CG TYR A 31 6.531 -14.093 -1.839 1.00 0.00 C ATOM 472 CD1 TYR A 31 5.599 -14.028 -2.868 1.00 0.00 C ATOM 473 CD2 TYR A 31 6.858 -15.343 -1.329 1.00 0.00 C ATOM 474 CE1 TYR A 31 5.010 -15.172 -3.371 1.00 0.00 C ATOM 475 CE2 TYR A 31 6.275 -16.492 -1.827 1.00 0.00 C ATOM 476 CZ TYR A 31 5.352 -16.402 -2.848 1.00 0.00 C ATOM 477 OH TYR A 31 4.768 -17.543 -3.347 1.00 0.00 O ATOM 0 H TYR A 31 4.794 -11.327 -1.570 1.00 0.00 H new ATOM 0 HA TYR A 31 6.263 -12.618 0.644 1.00 0.00 H new ATOM 0 HB2 TYR A 31 7.427 -12.178 -2.120 1.00 0.00 H new ATOM 0 HB3 TYR A 31 8.108 -13.104 -0.797 1.00 0.00 H new ATOM 0 HD1 TYR A 31 5.331 -13.067 -3.281 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.580 -15.418 -0.530 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.286 -15.104 -4.169 1.00 0.00 H new ATOM 0 HE2 TYR A 31 6.541 -17.456 -1.419 1.00 0.00 H new ATOM 0 HH TYR A 31 5.118 -18.325 -2.871 1.00 0.00 H new ATOM 487 N CYS A 32 7.871 -10.618 0.808 1.00 0.00 N ATOM 488 CA CYS A 32 8.510 -9.349 1.136 1.00 0.00 C ATOM 489 C CYS A 32 8.820 -8.553 -0.128 1.00 0.00 C ATOM 490 O CYS A 32 8.857 -9.104 -1.228 1.00 0.00 O ATOM 491 CB CYS A 32 9.797 -9.593 1.927 1.00 0.00 C ATOM 492 SG CYS A 32 10.461 -8.106 2.744 1.00 0.00 S ATOM 0 H CYS A 32 8.264 -11.426 1.291 1.00 0.00 H new ATOM 0 HA CYS A 32 7.819 -8.770 1.748 1.00 0.00 H new ATOM 0 HB2 CYS A 32 9.607 -10.356 2.682 1.00 0.00 H new ATOM 0 HB3 CYS A 32 10.555 -9.993 1.253 1.00 0.00 H new ATOM 0 HG CYS A 32 11.654 -8.356 3.197 1.00 0.00 H new ATOM 497 N ALA A 33 9.042 -7.253 0.037 1.00 0.00 N ATOM 498 CA ALA A 33 9.351 -6.382 -1.090 1.00 0.00 C ATOM 499 C ALA A 33 10.857 -6.214 -1.258 1.00 0.00 C ATOM 500 O ALA A 33 11.316 -5.473 -2.127 1.00 0.00 O ATOM 501 CB ALA A 33 8.685 -5.026 -0.906 1.00 0.00 C ATOM 0 H ALA A 33 9.014 -6.780 0.940 1.00 0.00 H new ATOM 0 HA ALA A 33 8.961 -6.848 -1.995 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.924 -4.385 -1.755 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.605 -5.157 -0.843 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.049 -4.564 0.012 1.00 0.00 H new ATOM 507 N ASP A 34 11.622 -6.907 -0.421 1.00 0.00 N ATOM 508 CA ASP A 34 13.077 -6.836 -0.477 1.00 0.00 C ATOM 509 C ASP A 34 13.689 -8.233 -0.525 1.00 0.00 C ATOM 510 O ASP A 34 14.432 -8.565 -1.448 1.00 0.00 O ATOM 511 CB ASP A 34 13.618 -6.070 0.731 1.00 0.00 C ATOM 512 CG ASP A 34 12.838 -4.800 1.009 1.00 0.00 C ATOM 513 OD1 ASP A 34 12.850 -3.895 0.148 1.00 0.00 O ATOM 514 OD2 ASP A 34 12.213 -4.712 2.086 1.00 0.00 O ATOM 0 H ASP A 34 11.258 -7.525 0.305 1.00 0.00 H new ATOM 0 HA ASP A 34 13.355 -6.306 -1.388 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.584 -6.713 1.610 1.00 0.00 H new ATOM 0 HB3 ASP A 34 14.665 -5.820 0.559 1.00 0.00 H new ATOM 519 N CYS A 35 13.372 -9.046 0.477 1.00 0.00 N ATOM 520 CA CYS A 35 13.890 -10.406 0.551 1.00 0.00 C ATOM 521 C CYS A 35 12.845 -11.414 0.080 1.00 0.00 C ATOM 522 O CYS A 35 13.022 -12.622 0.229 1.00 0.00 O ATOM 523 CB CYS A 35 14.320 -10.733 1.983 1.00 0.00 C ATOM 524 SG CYS A 35 12.933 -10.988 3.136 1.00 0.00 S ATOM 0 H CYS A 35 12.758 -8.786 1.249 1.00 0.00 H new ATOM 0 HA CYS A 35 14.757 -10.474 -0.107 1.00 0.00 H new ATOM 0 HB2 CYS A 35 14.937 -11.631 1.969 1.00 0.00 H new ATOM 0 HB3 CYS A 35 14.945 -9.922 2.357 1.00 0.00 H new ATOM 0 HG CYS A 35 13.347 -11.656 4.172 1.00 0.00 H new ATOM 529 N GLU A 36 11.756 -10.906 -0.489 1.00 0.00 N ATOM 530 CA GLU A 36 10.683 -11.761 -0.982 1.00 0.00 C ATOM 531 C GLU A 36 10.474 -12.958 -0.059 1.00 0.00 C ATOM 532 O GLU A 36 10.221 -14.072 -0.517 1.00 0.00 O ATOM 533 CB GLU A 36 10.996 -12.244 -2.399 1.00 0.00 C ATOM 534 CG GLU A 36 10.619 -11.245 -3.480 1.00 0.00 C ATOM 535 CD GLU A 36 10.273 -11.912 -4.797 1.00 0.00 C ATOM 536 OE1 GLU A 36 9.509 -12.900 -4.778 1.00 0.00 O ATOM 537 OE2 GLU A 36 10.767 -11.448 -5.846 1.00 0.00 O ATOM 0 H GLU A 36 11.594 -9.907 -0.620 1.00 0.00 H new ATOM 0 HA GLU A 36 9.765 -11.174 -1.001 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.062 -12.461 -2.473 1.00 0.00 H new ATOM 0 HB3 GLU A 36 10.467 -13.179 -2.580 1.00 0.00 H new ATOM 0 HG2 GLU A 36 9.768 -10.654 -3.142 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.447 -10.553 -3.634 1.00 0.00 H new ATOM 544 N ALA A 37 10.584 -12.719 1.244 1.00 0.00 N ATOM 545 CA ALA A 37 10.406 -13.776 2.232 1.00 0.00 C ATOM 546 C ALA A 37 9.051 -14.457 2.069 1.00 0.00 C ATOM 547 O ALA A 37 8.219 -14.026 1.271 1.00 0.00 O ATOM 548 CB ALA A 37 10.550 -13.214 3.638 1.00 0.00 C ATOM 0 H ALA A 37 10.795 -11.803 1.640 1.00 0.00 H new ATOM 0 HA ALA A 37 11.182 -14.525 2.071 1.00 0.00 H new ATOM 0 HB1 ALA A 37 10.415 -14.014 4.365 1.00 0.00 H new ATOM 0 HB2 ALA A 37 11.543 -12.780 3.756 1.00 0.00 H new ATOM 0 HB3 ALA A 37 9.796 -12.444 3.801 1.00 0.00 H new ATOM 554 N LYS A 38 8.835 -15.524 2.831 1.00 0.00 N ATOM 555 CA LYS A 38 7.581 -16.266 2.773 1.00 0.00 C ATOM 556 C LYS A 38 6.672 -15.889 3.938 1.00 0.00 C ATOM 557 O LYS A 38 6.886 -16.321 5.070 1.00 0.00 O ATOM 558 CB LYS A 38 7.854 -17.772 2.791 1.00 0.00 C ATOM 559 CG LYS A 38 8.164 -18.350 1.421 1.00 0.00 C ATOM 560 CD LYS A 38 7.836 -19.832 1.354 1.00 0.00 C ATOM 561 CE LYS A 38 8.479 -20.491 0.144 1.00 0.00 C ATOM 562 NZ LYS A 38 7.593 -20.438 -1.052 1.00 0.00 N ATOM 0 H LYS A 38 9.513 -15.895 3.497 1.00 0.00 H new ATOM 0 HA LYS A 38 7.076 -16.006 1.842 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.692 -17.973 3.459 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.986 -18.285 3.205 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.593 -17.815 0.662 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.219 -18.199 1.192 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.181 -20.324 2.264 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.755 -19.965 1.310 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.423 -19.995 -0.081 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.713 -21.530 0.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.067 -20.897 -1.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.702 -20.933 -0.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.391 -19.446 -1.290 1.00 0.00 H new ATOM 576 N GLY A 39 5.654 -15.083 3.652 1.00 0.00 N ATOM 577 CA GLY A 39 4.726 -14.664 4.687 1.00 0.00 C ATOM 578 C GLY A 39 5.124 -13.347 5.323 1.00 0.00 C ATOM 579 O GLY A 39 5.423 -13.274 6.515 1.00 0.00 O ATOM 0 H GLY A 39 5.455 -14.713 2.723 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.728 -14.571 4.260 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.673 -15.434 5.456 1.00 0.00 H new ATOM 583 N PRO A 40 5.135 -12.275 4.517 1.00 0.00 N ATOM 584 CA PRO A 40 5.499 -10.934 4.987 1.00 0.00 C ATOM 585 C PRO A 40 4.450 -10.343 5.922 1.00 0.00 C ATOM 586 O PRO A 40 3.610 -9.547 5.504 1.00 0.00 O ATOM 587 CB PRO A 40 5.585 -10.117 3.695 1.00 0.00 C ATOM 588 CG PRO A 40 4.693 -10.828 2.737 1.00 0.00 C ATOM 589 CD PRO A 40 4.791 -12.288 3.085 1.00 0.00 C ATOM 0 HA PRO A 40 6.423 -10.941 5.565 1.00 0.00 H new ATOM 0 HB2 PRO A 40 5.257 -9.090 3.854 1.00 0.00 H new ATOM 0 HB3 PRO A 40 6.609 -10.071 3.323 1.00 0.00 H new ATOM 0 HG2 PRO A 40 3.666 -10.474 2.824 1.00 0.00 H new ATOM 0 HG3 PRO A 40 5.005 -10.650 1.708 1.00 0.00 H new ATOM 0 HD2 PRO A 40 3.851 -12.809 2.902 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.555 -12.792 2.493 1.00 0.00 H new ATOM 597 N ARG A 41 4.505 -10.738 7.190 1.00 0.00 N ATOM 598 CA ARG A 41 3.559 -10.247 8.185 1.00 0.00 C ATOM 599 C ARG A 41 3.623 -8.726 8.293 1.00 0.00 C ATOM 600 O ARG A 41 2.755 -8.020 7.780 1.00 0.00 O ATOM 601 CB ARG A 41 3.846 -10.879 9.548 1.00 0.00 C ATOM 602 CG ARG A 41 3.148 -10.179 10.703 1.00 0.00 C ATOM 603 CD ARG A 41 1.636 -10.231 10.554 1.00 0.00 C ATOM 604 NE ARG A 41 1.065 -11.421 11.180 1.00 0.00 N ATOM 605 CZ ARG A 41 0.948 -12.591 10.562 1.00 0.00 C ATOM 606 NH1 ARG A 41 1.361 -12.728 9.310 1.00 0.00 N ATOM 607 NH2 ARG A 41 0.418 -13.628 11.199 1.00 0.00 N ATOM 0 H ARG A 41 5.195 -11.396 7.552 1.00 0.00 H new ATOM 0 HA ARG A 41 2.556 -10.529 7.866 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.536 -11.924 9.527 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.922 -10.869 9.725 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.438 -10.648 11.643 1.00 0.00 H new ATOM 0 HG3 ARG A 41 3.474 -9.140 10.751 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.197 -9.340 11.002 1.00 0.00 H new ATOM 0 HD3 ARG A 41 1.375 -10.218 9.496 1.00 0.00 H new ATOM 0 HE ARG A 41 0.739 -11.350 12.144 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.770 -11.934 8.818 1.00 0.00 H new ATOM 0 HH12 ARG A 41 1.270 -13.628 8.838 1.00 0.00 H new ATOM 0 HH21 ARG A 41 0.101 -13.526 12.163 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.328 -14.526 10.724 1.00 0.00 H new ATOM 621 N TRP A 42 4.657 -8.230 8.963 1.00 0.00 N ATOM 622 CA TRP A 42 4.834 -6.793 9.139 1.00 0.00 C ATOM 623 C TRP A 42 4.615 -6.052 7.825 1.00 0.00 C ATOM 624 O TRP A 42 4.552 -6.666 6.759 1.00 0.00 O ATOM 625 CB TRP A 42 6.233 -6.494 9.680 1.00 0.00 C ATOM 626 CG TRP A 42 6.463 -7.028 11.061 1.00 0.00 C ATOM 627 CD1 TRP A 42 6.635 -8.336 11.416 1.00 0.00 C ATOM 628 CD2 TRP A 42 6.544 -6.268 12.272 1.00 0.00 C ATOM 629 NE1 TRP A 42 6.818 -8.434 12.774 1.00 0.00 N ATOM 630 CE2 TRP A 42 6.767 -7.180 13.322 1.00 0.00 C ATOM 631 CE3 TRP A 42 6.452 -4.906 12.571 1.00 0.00 C ATOM 632 CZ2 TRP A 42 6.897 -6.772 14.647 1.00 0.00 C ATOM 633 CZ3 TRP A 42 6.581 -4.503 13.886 1.00 0.00 C ATOM 634 CH2 TRP A 42 6.802 -5.433 14.911 1.00 0.00 C ATOM 0 H TRP A 42 5.385 -8.801 9.393 1.00 0.00 H new ATOM 0 HA TRP A 42 4.092 -6.446 9.858 1.00 0.00 H new ATOM 0 HB2 TRP A 42 6.975 -6.921 9.005 1.00 0.00 H new ATOM 0 HB3 TRP A 42 6.390 -5.415 9.685 1.00 0.00 H new ATOM 0 HD1 TRP A 42 6.628 -9.170 10.730 1.00 0.00 H new ATOM 0 HE1 TRP A 42 6.968 -9.301 13.291 1.00 0.00 H new ATOM 0 HE3 TRP A 42 6.283 -4.182 11.788 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 7.067 -7.487 15.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 6.510 -3.453 14.128 1.00 0.00 H new ATOM 0 HH2 TRP A 42 6.899 -5.086 15.929 1.00 0.00 H new ATOM 645 N ALA A 43 4.500 -4.731 7.907 1.00 0.00 N ATOM 646 CA ALA A 43 4.290 -3.907 6.723 1.00 0.00 C ATOM 647 C ALA A 43 4.642 -2.450 6.998 1.00 0.00 C ATOM 648 O ALA A 43 4.485 -1.964 8.119 1.00 0.00 O ATOM 649 CB ALA A 43 2.849 -4.024 6.247 1.00 0.00 C ATOM 0 H ALA A 43 4.549 -4.208 8.781 1.00 0.00 H new ATOM 0 HA ALA A 43 4.951 -4.270 5.936 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.707 -3.403 5.362 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.630 -5.063 6.000 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.177 -3.689 7.037 1.00 0.00 H new ATOM 655 N SER A 44 5.119 -1.756 5.970 1.00 0.00 N ATOM 656 CA SER A 44 5.498 -0.354 6.103 1.00 0.00 C ATOM 657 C SER A 44 4.520 0.546 5.354 1.00 0.00 C ATOM 658 O SER A 44 4.525 0.598 4.124 1.00 0.00 O ATOM 659 CB SER A 44 6.917 -0.135 5.575 1.00 0.00 C ATOM 660 OG SER A 44 7.553 0.935 6.252 1.00 0.00 O ATOM 0 H SER A 44 5.252 -2.142 5.035 1.00 0.00 H new ATOM 0 HA SER A 44 5.468 -0.094 7.161 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.500 -1.047 5.701 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.882 0.076 4.506 1.00 0.00 H new ATOM 0 HG SER A 44 7.240 0.967 7.180 1.00 0.00 H new ATOM 666 N TRP A 45 3.683 1.253 6.105 1.00 0.00 N ATOM 667 CA TRP A 45 2.699 2.152 5.513 1.00 0.00 C ATOM 668 C TRP A 45 3.380 3.346 4.852 1.00 0.00 C ATOM 669 O TRP A 45 3.152 3.630 3.678 1.00 0.00 O ATOM 670 CB TRP A 45 1.714 2.635 6.578 1.00 0.00 C ATOM 671 CG TRP A 45 2.361 3.442 7.663 1.00 0.00 C ATOM 672 CD1 TRP A 45 3.030 2.962 8.753 1.00 0.00 C ATOM 673 CD2 TRP A 45 2.399 4.870 7.763 1.00 0.00 C ATOM 674 NE1 TRP A 45 3.481 4.006 9.524 1.00 0.00 N ATOM 675 CE2 TRP A 45 3.108 5.186 8.938 1.00 0.00 C ATOM 676 CE3 TRP A 45 1.905 5.911 6.973 1.00 0.00 C ATOM 677 CZ2 TRP A 45 3.332 6.500 9.341 1.00 0.00 C ATOM 678 CZ3 TRP A 45 2.128 7.215 7.374 1.00 0.00 C ATOM 679 CH2 TRP A 45 2.837 7.500 8.549 1.00 0.00 C ATOM 0 H TRP A 45 3.666 1.221 7.124 1.00 0.00 H new ATOM 0 HA TRP A 45 2.153 1.600 4.748 1.00 0.00 H new ATOM 0 HB2 TRP A 45 0.940 3.236 6.101 1.00 0.00 H new ATOM 0 HB3 TRP A 45 1.219 1.772 7.023 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.182 1.916 8.976 1.00 0.00 H new ATOM 0 HE1 TRP A 45 4.008 3.917 10.392 1.00 0.00 H new ATOM 0 HE3 TRP A 45 1.359 5.701 6.065 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 3.877 6.722 10.247 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 1.750 8.028 6.772 1.00 0.00 H new ATOM 0 HH2 TRP A 45 2.996 8.529 8.835 1.00 0.00 H new ATOM 690 N ASN A 46 4.217 4.041 5.616 1.00 0.00 N ATOM 691 CA ASN A 46 4.931 5.205 5.104 1.00 0.00 C ATOM 692 C ASN A 46 5.303 5.013 3.637 1.00 0.00 C ATOM 693 O ASN A 46 5.128 5.917 2.819 1.00 0.00 O ATOM 694 CB ASN A 46 6.192 5.461 5.932 1.00 0.00 C ATOM 695 CG ASN A 46 6.912 6.728 5.512 1.00 0.00 C ATOM 696 OD1 ASN A 46 6.669 7.804 6.058 1.00 0.00 O ATOM 697 ND2 ASN A 46 7.804 6.605 4.536 1.00 0.00 N ATOM 0 H ASN A 46 4.417 3.818 6.591 1.00 0.00 H new ATOM 0 HA ASN A 46 4.271 6.069 5.183 1.00 0.00 H new ATOM 0 HB2 ASN A 46 5.923 5.531 6.986 1.00 0.00 H new ATOM 0 HB3 ASN A 46 6.868 4.612 5.832 1.00 0.00 H new ATOM 0 HD21 ASN A 46 8.320 7.423 4.210 1.00 0.00 H new ATOM 0 HD22 ASN A 46 7.973 5.693 4.112 1.00 0.00 H new ATOM 704 N ILE A 47 5.816 3.831 3.312 1.00 0.00 N ATOM 705 CA ILE A 47 6.210 3.521 1.943 1.00 0.00 C ATOM 706 C ILE A 47 5.055 2.900 1.166 1.00 0.00 C ATOM 707 O ILE A 47 4.788 3.275 0.025 1.00 0.00 O ATOM 708 CB ILE A 47 7.413 2.559 1.909 1.00 0.00 C ATOM 709 CG1 ILE A 47 8.636 3.214 2.553 1.00 0.00 C ATOM 710 CG2 ILE A 47 7.719 2.145 0.477 1.00 0.00 C ATOM 711 CD1 ILE A 47 9.844 2.305 2.620 1.00 0.00 C ATOM 0 H ILE A 47 5.968 3.073 3.977 1.00 0.00 H new ATOM 0 HA ILE A 47 6.494 4.463 1.475 1.00 0.00 H new ATOM 0 HB ILE A 47 7.161 1.665 2.479 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.897 4.110 1.990 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.377 3.535 3.562 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.571 1.465 0.469 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.851 1.643 0.050 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.955 3.029 -0.115 1.00 0.00 H new ATOM 0 HD11 ILE A 47 10.673 2.836 3.088 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.601 1.420 3.208 1.00 0.00 H new ATOM 0 HD13 ILE A 47 10.129 2.004 1.612 1.00 0.00 H new ATOM 723 N GLY A 48 4.370 1.948 1.793 1.00 0.00 N ATOM 724 CA GLY A 48 3.249 1.292 1.145 1.00 0.00 C ATOM 725 C GLY A 48 3.610 -0.082 0.615 1.00 0.00 C ATOM 726 O GLY A 48 3.290 -0.419 -0.525 1.00 0.00 O ATOM 0 H GLY A 48 4.571 1.620 2.737 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.426 1.200 1.854 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.894 1.913 0.323 1.00 0.00 H new ATOM 730 N VAL A 49 4.280 -0.877 1.443 1.00 0.00 N ATOM 731 CA VAL A 49 4.685 -2.222 1.051 1.00 0.00 C ATOM 732 C VAL A 49 4.790 -3.139 2.264 1.00 0.00 C ATOM 733 O VAL A 49 5.088 -2.691 3.371 1.00 0.00 O ATOM 734 CB VAL A 49 6.036 -2.208 0.312 1.00 0.00 C ATOM 735 CG1 VAL A 49 5.931 -1.411 -0.979 1.00 0.00 C ATOM 736 CG2 VAL A 49 7.127 -1.643 1.210 1.00 0.00 C ATOM 0 H VAL A 49 4.554 -0.613 2.389 1.00 0.00 H new ATOM 0 HA VAL A 49 3.916 -2.601 0.378 1.00 0.00 H new ATOM 0 HB VAL A 49 6.302 -3.234 0.056 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.895 -1.413 -1.487 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.179 -1.864 -1.626 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.643 -0.385 -0.751 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.075 -1.640 0.673 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.870 -0.624 1.498 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.218 -2.260 2.104 1.00 0.00 H new ATOM 746 N PHE A 50 4.545 -4.427 2.047 1.00 0.00 N ATOM 747 CA PHE A 50 4.611 -5.410 3.123 1.00 0.00 C ATOM 748 C PHE A 50 5.999 -6.038 3.200 1.00 0.00 C ATOM 749 O PHE A 50 6.484 -6.619 2.229 1.00 0.00 O ATOM 750 CB PHE A 50 3.557 -6.498 2.914 1.00 0.00 C ATOM 751 CG PHE A 50 2.148 -5.977 2.918 1.00 0.00 C ATOM 752 CD1 PHE A 50 1.580 -5.472 1.759 1.00 0.00 C ATOM 753 CD2 PHE A 50 1.392 -5.993 4.079 1.00 0.00 C ATOM 754 CE1 PHE A 50 0.284 -4.991 1.760 1.00 0.00 C ATOM 755 CE2 PHE A 50 0.096 -5.513 4.085 1.00 0.00 C ATOM 756 CZ PHE A 50 -0.459 -5.013 2.924 1.00 0.00 C ATOM 0 H PHE A 50 4.299 -4.815 1.136 1.00 0.00 H new ATOM 0 HA PHE A 50 4.411 -4.897 4.064 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.748 -7.000 1.965 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.661 -7.248 3.698 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.156 -5.454 0.846 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.820 -6.385 4.990 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.147 -4.598 0.851 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.482 -5.529 4.997 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.472 -4.640 2.926 1.00 0.00 H new ATOM 766 N ILE A 51 6.634 -5.917 4.362 1.00 0.00 N ATOM 767 CA ILE A 51 7.965 -6.473 4.566 1.00 0.00 C ATOM 768 C ILE A 51 7.992 -7.408 5.771 1.00 0.00 C ATOM 769 O ILE A 51 7.147 -7.314 6.662 1.00 0.00 O ATOM 770 CB ILE A 51 9.014 -5.364 4.768 1.00 0.00 C ATOM 771 CG1 ILE A 51 8.569 -4.407 5.876 1.00 0.00 C ATOM 772 CG2 ILE A 51 9.242 -4.608 3.468 1.00 0.00 C ATOM 773 CD1 ILE A 51 9.611 -3.369 6.233 1.00 0.00 C ATOM 0 H ILE A 51 6.247 -5.439 5.176 1.00 0.00 H new ATOM 0 HA ILE A 51 8.212 -7.036 3.666 1.00 0.00 H new ATOM 0 HB ILE A 51 9.955 -5.825 5.068 1.00 0.00 H new ATOM 0 HG12 ILE A 51 7.656 -3.901 5.563 1.00 0.00 H new ATOM 0 HG13 ILE A 51 8.323 -4.985 6.767 1.00 0.00 H new ATOM 0 HG21 ILE A 51 9.986 -3.827 3.627 1.00 0.00 H new ATOM 0 HG22 ILE A 51 9.598 -5.298 2.703 1.00 0.00 H new ATOM 0 HG23 ILE A 51 8.306 -4.156 3.141 1.00 0.00 H new ATOM 0 HD11 ILE A 51 9.227 -2.726 7.025 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.517 -3.867 6.577 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.840 -2.766 5.354 1.00 0.00 H new ATOM 785 N CYS A 52 8.969 -8.308 5.793 1.00 0.00 N ATOM 786 CA CYS A 52 9.108 -9.259 6.889 1.00 0.00 C ATOM 787 C CYS A 52 9.615 -8.566 8.150 1.00 0.00 C ATOM 788 O CYS A 52 9.972 -7.388 8.122 1.00 0.00 O ATOM 789 CB CYS A 52 10.063 -10.388 6.495 1.00 0.00 C ATOM 790 SG CYS A 52 11.759 -9.833 6.129 1.00 0.00 S ATOM 0 H CYS A 52 9.676 -8.399 5.064 1.00 0.00 H new ATOM 0 HA CYS A 52 8.125 -9.680 7.098 1.00 0.00 H new ATOM 0 HB2 CYS A 52 10.098 -11.119 7.303 1.00 0.00 H new ATOM 0 HB3 CYS A 52 9.663 -10.899 5.620 1.00 0.00 H new ATOM 0 HG CYS A 52 12.126 -10.295 4.971 1.00 0.00 H new ATOM 795 N ILE A 53 9.644 -9.306 9.254 1.00 0.00 N ATOM 796 CA ILE A 53 10.109 -8.763 10.524 1.00 0.00 C ATOM 797 C ILE A 53 11.566 -8.322 10.434 1.00 0.00 C ATOM 798 O ILE A 53 11.914 -7.210 10.831 1.00 0.00 O ATOM 799 CB ILE A 53 9.965 -9.791 11.662 1.00 0.00 C ATOM 800 CG1 ILE A 53 10.449 -9.192 12.984 1.00 0.00 C ATOM 801 CG2 ILE A 53 10.742 -11.057 11.333 1.00 0.00 C ATOM 802 CD1 ILE A 53 9.824 -9.834 14.203 1.00 0.00 C ATOM 0 H ILE A 53 9.351 -10.282 9.294 1.00 0.00 H new ATOM 0 HA ILE A 53 9.484 -7.898 10.745 1.00 0.00 H new ATOM 0 HB ILE A 53 8.911 -10.051 11.766 1.00 0.00 H new ATOM 0 HG12 ILE A 53 11.532 -9.294 13.045 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.229 -8.125 12.992 1.00 0.00 H new ATOM 0 HG21 ILE A 53 10.631 -11.774 12.146 1.00 0.00 H new ATOM 0 HG22 ILE A 53 10.356 -11.492 10.411 1.00 0.00 H new ATOM 0 HG23 ILE A 53 11.797 -10.814 11.206 1.00 0.00 H new ATOM 0 HD11 ILE A 53 10.213 -9.360 15.104 1.00 0.00 H new ATOM 0 HD12 ILE A 53 8.742 -9.709 14.166 1.00 0.00 H new ATOM 0 HD13 ILE A 53 10.066 -10.897 14.219 1.00 0.00 H new ATOM 814 N ARG A 54 12.412 -9.200 9.906 1.00 0.00 N ATOM 815 CA ARG A 54 13.832 -8.901 9.763 1.00 0.00 C ATOM 816 C ARG A 54 14.037 -7.554 9.076 1.00 0.00 C ATOM 817 O ARG A 54 14.645 -6.643 9.640 1.00 0.00 O ATOM 818 CB ARG A 54 14.529 -10.004 8.963 1.00 0.00 C ATOM 819 CG ARG A 54 16.034 -9.819 8.854 1.00 0.00 C ATOM 820 CD ARG A 54 16.409 -9.028 7.611 1.00 0.00 C ATOM 821 NE ARG A 54 16.080 -9.749 6.384 1.00 0.00 N ATOM 822 CZ ARG A 54 16.845 -10.702 5.864 1.00 0.00 C ATOM 823 NH1 ARG A 54 17.977 -11.048 6.461 1.00 0.00 N ATOM 824 NH2 ARG A 54 16.478 -11.312 4.744 1.00 0.00 N ATOM 0 H ARG A 54 12.139 -10.124 9.570 1.00 0.00 H new ATOM 0 HA ARG A 54 14.270 -8.852 10.760 1.00 0.00 H new ATOM 0 HB2 ARG A 54 14.323 -10.966 9.431 1.00 0.00 H new ATOM 0 HB3 ARG A 54 14.102 -10.039 7.961 1.00 0.00 H new ATOM 0 HG2 ARG A 54 16.403 -9.303 9.740 1.00 0.00 H new ATOM 0 HG3 ARG A 54 16.521 -10.794 8.827 1.00 0.00 H new ATOM 0 HD2 ARG A 54 15.888 -8.071 7.620 1.00 0.00 H new ATOM 0 HD3 ARG A 54 17.477 -8.810 7.628 1.00 0.00 H new ATOM 0 HE ARG A 54 15.215 -9.507 5.900 1.00 0.00 H new ATOM 0 HH11 ARG A 54 18.263 -10.582 7.322 1.00 0.00 H new ATOM 0 HH12 ARG A 54 18.562 -11.780 6.059 1.00 0.00 H new ATOM 0 HH21 ARG A 54 15.608 -11.049 4.282 1.00 0.00 H new ATOM 0 HH22 ARG A 54 17.066 -12.044 4.345 1.00 0.00 H new ATOM 838 N CYS A 55 13.526 -7.434 7.855 1.00 0.00 N ATOM 839 CA CYS A 55 13.654 -6.199 7.091 1.00 0.00 C ATOM 840 C CYS A 55 13.087 -5.016 7.870 1.00 0.00 C ATOM 841 O CYS A 55 13.701 -3.951 7.935 1.00 0.00 O ATOM 842 CB CYS A 55 12.934 -6.330 5.747 1.00 0.00 C ATOM 843 SG CYS A 55 13.822 -7.346 4.523 1.00 0.00 S ATOM 0 H CYS A 55 13.019 -8.177 7.374 1.00 0.00 H new ATOM 0 HA CYS A 55 14.714 -6.020 6.913 1.00 0.00 H new ATOM 0 HB2 CYS A 55 11.948 -6.763 5.916 1.00 0.00 H new ATOM 0 HB3 CYS A 55 12.778 -5.334 5.332 1.00 0.00 H new ATOM 0 HG CYS A 55 13.439 -8.584 4.627 1.00 0.00 H new ATOM 848 N ALA A 56 11.913 -5.211 8.460 1.00 0.00 N ATOM 849 CA ALA A 56 11.264 -4.161 9.237 1.00 0.00 C ATOM 850 C ALA A 56 12.250 -3.497 10.192 1.00 0.00 C ATOM 851 O ALA A 56 12.408 -2.277 10.188 1.00 0.00 O ATOM 852 CB ALA A 56 10.081 -4.729 10.007 1.00 0.00 C ATOM 0 H ALA A 56 11.391 -6.086 8.415 1.00 0.00 H new ATOM 0 HA ALA A 56 10.901 -3.401 8.544 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.606 -3.934 10.582 1.00 0.00 H new ATOM 0 HB2 ALA A 56 9.360 -5.151 9.307 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.428 -5.509 10.684 1.00 0.00 H new ATOM 858 N GLY A 57 12.911 -4.309 11.012 1.00 0.00 N ATOM 859 CA GLY A 57 13.873 -3.781 11.962 1.00 0.00 C ATOM 860 C GLY A 57 14.775 -2.728 11.350 1.00 0.00 C ATOM 861 O GLY A 57 14.915 -1.630 11.890 1.00 0.00 O ATOM 0 H GLY A 57 12.797 -5.322 11.035 1.00 0.00 H new ATOM 0 HA2 GLY A 57 13.342 -3.351 12.811 1.00 0.00 H new ATOM 0 HA3 GLY A 57 14.483 -4.598 12.348 1.00 0.00 H new ATOM 865 N ILE A 58 15.390 -3.063 10.221 1.00 0.00 N ATOM 866 CA ILE A 58 16.284 -2.138 9.535 1.00 0.00 C ATOM 867 C ILE A 58 15.545 -0.875 9.107 1.00 0.00 C ATOM 868 O ILE A 58 16.086 0.229 9.180 1.00 0.00 O ATOM 869 CB ILE A 58 16.926 -2.789 8.296 1.00 0.00 C ATOM 870 CG1 ILE A 58 17.785 -3.986 8.709 1.00 0.00 C ATOM 871 CG2 ILE A 58 17.759 -1.769 7.533 1.00 0.00 C ATOM 872 CD1 ILE A 58 17.042 -5.302 8.679 1.00 0.00 C ATOM 0 H ILE A 58 15.286 -3.968 9.762 1.00 0.00 H new ATOM 0 HA ILE A 58 17.069 -1.874 10.244 1.00 0.00 H new ATOM 0 HB ILE A 58 16.133 -3.145 7.639 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.648 -4.050 8.046 1.00 0.00 H new ATOM 0 HG13 ILE A 58 18.169 -3.818 9.715 1.00 0.00 H new ATOM 0 HG21 ILE A 58 18.206 -2.244 6.660 1.00 0.00 H new ATOM 0 HG22 ILE A 58 17.121 -0.946 7.211 1.00 0.00 H new ATOM 0 HG23 ILE A 58 18.547 -1.385 8.181 1.00 0.00 H new ATOM 0 HD11 ILE A 58 17.713 -6.106 8.983 1.00 0.00 H new ATOM 0 HD12 ILE A 58 16.195 -5.257 9.364 1.00 0.00 H new ATOM 0 HD13 ILE A 58 16.682 -5.493 7.668 1.00 0.00 H new ATOM 884 N HIS A 59 14.305 -1.044 8.661 1.00 0.00 N ATOM 885 CA HIS A 59 13.489 0.083 8.222 1.00 0.00 C ATOM 886 C HIS A 59 13.314 1.097 9.349 1.00 0.00 C ATOM 887 O HIS A 59 13.271 2.304 9.109 1.00 0.00 O ATOM 888 CB HIS A 59 12.122 -0.405 7.743 1.00 0.00 C ATOM 889 CG HIS A 59 12.114 -0.855 6.314 1.00 0.00 C ATOM 890 ND1 HIS A 59 11.443 -0.180 5.316 1.00 0.00 N ATOM 891 CD2 HIS A 59 12.702 -1.918 5.718 1.00 0.00 C ATOM 892 CE1 HIS A 59 11.617 -0.810 4.168 1.00 0.00 C ATOM 893 NE2 HIS A 59 12.377 -1.868 4.384 1.00 0.00 N ATOM 0 H HIS A 59 13.843 -1.951 8.594 1.00 0.00 H new ATOM 0 HA HIS A 59 14.002 0.571 7.393 1.00 0.00 H new ATOM 0 HB2 HIS A 59 11.797 -1.230 8.377 1.00 0.00 H new ATOM 0 HB3 HIS A 59 11.395 0.398 7.867 1.00 0.00 H new ATOM 0 HD2 HIS A 59 13.313 -2.666 6.201 1.00 0.00 H new ATOM 0 HE1 HIS A 59 11.207 -0.511 3.215 1.00 0.00 H new ATOM 0 HE2 HIS A 59 12.674 -2.539 3.676 1.00 0.00 H new ATOM 901 N ARG A 60 13.212 0.599 10.577 1.00 0.00 N ATOM 902 CA ARG A 60 13.039 1.461 11.739 1.00 0.00 C ATOM 903 C ARG A 60 14.240 2.386 11.914 1.00 0.00 C ATOM 904 O ARG A 60 14.086 3.587 12.127 1.00 0.00 O ATOM 905 CB ARG A 60 12.842 0.619 13.001 1.00 0.00 C ATOM 906 CG ARG A 60 11.948 -0.592 12.791 1.00 0.00 C ATOM 907 CD ARG A 60 11.644 -1.294 14.105 1.00 0.00 C ATOM 908 NE ARG A 60 10.624 -0.590 14.878 1.00 0.00 N ATOM 909 CZ ARG A 60 10.167 -1.015 16.051 1.00 0.00 C ATOM 910 NH1 ARG A 60 10.637 -2.135 16.583 1.00 0.00 N ATOM 911 NH2 ARG A 60 9.238 -0.319 16.694 1.00 0.00 N ATOM 0 H ARG A 60 13.246 -0.397 10.792 1.00 0.00 H new ATOM 0 HA ARG A 60 12.152 2.073 11.577 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.815 0.284 13.360 1.00 0.00 H new ATOM 0 HB3 ARG A 60 12.413 1.246 13.783 1.00 0.00 H new ATOM 0 HG2 ARG A 60 11.016 -0.280 12.320 1.00 0.00 H new ATOM 0 HG3 ARG A 60 12.433 -1.290 12.108 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.308 -2.311 13.903 1.00 0.00 H new ATOM 0 HD3 ARG A 60 12.557 -1.371 14.695 1.00 0.00 H new ATOM 0 HE ARG A 60 10.242 0.275 14.496 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.351 -2.673 16.092 1.00 0.00 H new ATOM 0 HH12 ARG A 60 10.284 -2.459 17.484 1.00 0.00 H new ATOM 0 HH21 ARG A 60 8.874 0.543 16.288 1.00 0.00 H new ATOM 0 HH22 ARG A 60 8.888 -0.646 17.594 1.00 0.00 H new ATOM 925 N ASN A 61 15.437 1.815 11.823 1.00 0.00 N ATOM 926 CA ASN A 61 16.666 2.587 11.972 1.00 0.00 C ATOM 927 C ASN A 61 16.690 3.763 11.000 1.00 0.00 C ATOM 928 O ASN A 61 16.979 4.896 11.386 1.00 0.00 O ATOM 929 CB ASN A 61 17.886 1.694 11.741 1.00 0.00 C ATOM 930 CG ASN A 61 18.395 1.768 10.314 1.00 0.00 C ATOM 931 OD1 ASN A 61 18.740 2.843 9.822 1.00 0.00 O ATOM 932 ND2 ASN A 61 18.445 0.624 9.643 1.00 0.00 N ATOM 0 H ASN A 61 15.582 0.821 11.647 1.00 0.00 H new ATOM 0 HA ASN A 61 16.699 2.978 12.989 1.00 0.00 H new ATOM 0 HB2 ASN A 61 18.683 1.989 12.424 1.00 0.00 H new ATOM 0 HB3 ASN A 61 17.628 0.662 11.979 1.00 0.00 H new ATOM 0 HD21 ASN A 61 18.780 0.612 8.680 1.00 0.00 H new ATOM 0 HD22 ASN A 61 18.149 -0.243 10.091 1.00 0.00 H new ATOM 939 N LEU A 62 16.386 3.485 9.737 1.00 0.00 N ATOM 940 CA LEU A 62 16.372 4.519 8.708 1.00 0.00 C ATOM 941 C LEU A 62 15.934 5.860 9.289 1.00 0.00 C ATOM 942 O LEU A 62 16.582 6.883 9.074 1.00 0.00 O ATOM 943 CB LEU A 62 15.439 4.117 7.565 1.00 0.00 C ATOM 944 CG LEU A 62 15.715 2.757 6.921 1.00 0.00 C ATOM 945 CD1 LEU A 62 14.941 2.617 5.619 1.00 0.00 C ATOM 946 CD2 LEU A 62 17.206 2.573 6.680 1.00 0.00 C ATOM 0 H LEU A 62 16.146 2.552 9.401 1.00 0.00 H new ATOM 0 HA LEU A 62 17.386 4.625 8.321 1.00 0.00 H new ATOM 0 HB2 LEU A 62 14.416 4.118 7.940 1.00 0.00 H new ATOM 0 HB3 LEU A 62 15.495 4.882 6.790 1.00 0.00 H new ATOM 0 HG LEU A 62 15.380 1.978 7.605 1.00 0.00 H new ATOM 0 HD11 LEU A 62 15.149 1.644 5.175 1.00 0.00 H new ATOM 0 HD12 LEU A 62 13.873 2.703 5.819 1.00 0.00 H new ATOM 0 HD13 LEU A 62 15.245 3.404 4.928 1.00 0.00 H new ATOM 0 HD21 LEU A 62 17.383 1.600 6.221 1.00 0.00 H new ATOM 0 HD22 LEU A 62 17.567 3.358 6.016 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.738 2.629 7.630 1.00 0.00 H new ATOM 958 N GLY A 63 14.829 5.846 10.029 1.00 0.00 N ATOM 959 CA GLY A 63 14.324 7.066 10.631 1.00 0.00 C ATOM 960 C GLY A 63 12.844 7.270 10.374 1.00 0.00 C ATOM 961 O GLY A 63 12.345 6.953 9.294 1.00 0.00 O ATOM 0 H GLY A 63 14.275 5.012 10.222 1.00 0.00 H new ATOM 0 HA2 GLY A 63 14.502 7.038 11.706 1.00 0.00 H new ATOM 0 HA3 GLY A 63 14.879 7.918 10.238 1.00 0.00 H new ATOM 965 N VAL A 64 12.139 7.800 11.369 1.00 0.00 N ATOM 966 CA VAL A 64 10.708 8.046 11.245 1.00 0.00 C ATOM 967 C VAL A 64 10.406 8.947 10.054 1.00 0.00 C ATOM 968 O VAL A 64 9.260 9.049 9.613 1.00 0.00 O ATOM 969 CB VAL A 64 10.137 8.692 12.522 1.00 0.00 C ATOM 970 CG1 VAL A 64 10.211 7.721 13.691 1.00 0.00 C ATOM 971 CG2 VAL A 64 10.876 9.982 12.841 1.00 0.00 C ATOM 0 H VAL A 64 12.536 8.067 12.270 1.00 0.00 H new ATOM 0 HA VAL A 64 10.232 7.077 11.093 1.00 0.00 H new ATOM 0 HB VAL A 64 9.088 8.934 12.349 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.803 8.195 14.584 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.633 6.827 13.458 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.250 7.445 13.869 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.460 10.425 13.746 1.00 0.00 H new ATOM 0 HG22 VAL A 64 11.933 9.767 12.995 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.765 10.680 12.011 1.00 0.00 H new ATOM 981 N HIS A 65 11.441 9.601 9.535 1.00 0.00 N ATOM 982 CA HIS A 65 11.287 10.494 8.393 1.00 0.00 C ATOM 983 C HIS A 65 11.438 9.730 7.081 1.00 0.00 C ATOM 984 O HIS A 65 10.723 9.991 6.113 1.00 0.00 O ATOM 985 CB HIS A 65 12.315 11.624 8.460 1.00 0.00 C ATOM 986 CG HIS A 65 13.721 11.144 8.650 1.00 0.00 C ATOM 987 ND1 HIS A 65 14.224 10.756 9.873 1.00 0.00 N ATOM 988 CD2 HIS A 65 14.731 10.989 7.762 1.00 0.00 C ATOM 989 CE1 HIS A 65 15.484 10.385 9.731 1.00 0.00 C ATOM 990 NE2 HIS A 65 15.816 10.516 8.459 1.00 0.00 N ATOM 0 H HIS A 65 12.395 9.529 9.888 1.00 0.00 H new ATOM 0 HA HIS A 65 10.285 10.922 8.430 1.00 0.00 H new ATOM 0 HB2 HIS A 65 12.260 12.209 7.542 1.00 0.00 H new ATOM 0 HB3 HIS A 65 12.054 12.293 9.280 1.00 0.00 H new ATOM 0 HD2 HIS A 65 14.691 11.198 6.703 1.00 0.00 H new ATOM 0 HE1 HIS A 65 16.132 10.034 10.520 1.00 0.00 H new ATOM 0 HE2 HIS A 65 16.730 10.301 8.059 1.00 0.00 H new ATOM 998 N ILE A 66 12.373 8.786 7.056 1.00 0.00 N ATOM 999 CA ILE A 66 12.617 7.984 5.864 1.00 0.00 C ATOM 1000 C ILE A 66 11.538 6.922 5.685 1.00 0.00 C ATOM 1001 O ILE A 66 10.960 6.784 4.607 1.00 0.00 O ATOM 1002 CB ILE A 66 13.994 7.297 5.920 1.00 0.00 C ATOM 1003 CG1 ILE A 66 15.109 8.319 5.685 1.00 0.00 C ATOM 1004 CG2 ILE A 66 14.070 6.177 4.893 1.00 0.00 C ATOM 1005 CD1 ILE A 66 16.417 7.948 6.347 1.00 0.00 C ATOM 0 H ILE A 66 12.974 8.558 7.848 1.00 0.00 H new ATOM 0 HA ILE A 66 12.595 8.667 5.015 1.00 0.00 H new ATOM 0 HB ILE A 66 14.127 6.864 6.911 1.00 0.00 H new ATOM 0 HG12 ILE A 66 15.272 8.427 4.613 1.00 0.00 H new ATOM 0 HG13 ILE A 66 14.785 9.291 6.058 1.00 0.00 H new ATOM 0 HG21 ILE A 66 15.049 5.701 4.945 1.00 0.00 H new ATOM 0 HG22 ILE A 66 13.296 5.438 5.102 1.00 0.00 H new ATOM 0 HG23 ILE A 66 13.919 6.588 3.895 1.00 0.00 H new ATOM 0 HD11 ILE A 66 17.161 8.717 6.138 1.00 0.00 H new ATOM 0 HD12 ILE A 66 16.270 7.868 7.424 1.00 0.00 H new ATOM 0 HD13 ILE A 66 16.764 6.991 5.956 1.00 0.00 H new ATOM 1017 N SER A 67 11.270 6.174 6.750 1.00 0.00 N ATOM 1018 CA SER A 67 10.261 5.121 6.711 1.00 0.00 C ATOM 1019 C SER A 67 9.908 4.654 8.120 1.00 0.00 C ATOM 1020 O SER A 67 10.773 4.569 8.992 1.00 0.00 O ATOM 1021 CB SER A 67 10.759 3.938 5.879 1.00 0.00 C ATOM 1022 OG SER A 67 9.691 3.077 5.526 1.00 0.00 O ATOM 0 H SER A 67 11.737 6.277 7.651 1.00 0.00 H new ATOM 0 HA SER A 67 9.363 5.530 6.247 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.248 4.305 4.977 1.00 0.00 H new ATOM 0 HB3 SER A 67 11.507 3.382 6.444 1.00 0.00 H new ATOM 0 HG SER A 67 8.838 3.503 5.754 1.00 0.00 H new ATOM 1028 N ARG A 68 8.631 4.353 8.334 1.00 0.00 N ATOM 1029 CA ARG A 68 8.163 3.896 9.637 1.00 0.00 C ATOM 1030 C ARG A 68 7.701 2.443 9.569 1.00 0.00 C ATOM 1031 O ARG A 68 7.239 1.976 8.529 1.00 0.00 O ATOM 1032 CB ARG A 68 7.019 4.783 10.131 1.00 0.00 C ATOM 1033 CG ARG A 68 7.466 6.172 10.559 1.00 0.00 C ATOM 1034 CD ARG A 68 6.582 6.725 11.665 1.00 0.00 C ATOM 1035 NE ARG A 68 6.939 8.097 12.016 1.00 0.00 N ATOM 1036 CZ ARG A 68 6.566 8.688 13.147 1.00 0.00 C ATOM 1037 NH1 ARG A 68 5.830 8.029 14.031 1.00 0.00 N ATOM 1038 NH2 ARG A 68 6.931 9.939 13.394 1.00 0.00 N ATOM 0 H ARG A 68 7.903 4.417 7.623 1.00 0.00 H new ATOM 0 HA ARG A 68 8.995 3.963 10.338 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.276 4.878 9.339 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.528 4.293 10.972 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.500 6.133 10.903 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.441 6.844 9.701 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.540 6.692 11.347 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.666 6.091 12.548 1.00 0.00 H new ATOM 0 HE ARG A 68 7.506 8.631 11.357 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.549 7.067 13.844 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.545 8.484 14.898 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.498 10.448 12.716 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.645 10.392 14.262 1.00 0.00 H new ATOM 1052 N VAL A 69 7.830 1.734 10.686 1.00 0.00 N ATOM 1053 CA VAL A 69 7.426 0.335 10.754 1.00 0.00 C ATOM 1054 C VAL A 69 6.429 0.105 11.884 1.00 0.00 C ATOM 1055 O VAL A 69 6.593 0.626 12.987 1.00 0.00 O ATOM 1056 CB VAL A 69 8.640 -0.591 10.960 1.00 0.00 C ATOM 1057 CG1 VAL A 69 8.213 -2.050 10.915 1.00 0.00 C ATOM 1058 CG2 VAL A 69 9.709 -0.307 9.915 1.00 0.00 C ATOM 0 H VAL A 69 8.211 2.106 11.556 1.00 0.00 H new ATOM 0 HA VAL A 69 6.953 0.096 9.801 1.00 0.00 H new ATOM 0 HB VAL A 69 9.064 -0.392 11.944 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.084 -2.689 11.062 1.00 0.00 H new ATOM 0 HG12 VAL A 69 7.485 -2.241 11.704 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.763 -2.268 9.946 1.00 0.00 H new ATOM 0 HG21 VAL A 69 10.559 -0.970 10.075 1.00 0.00 H new ATOM 0 HG22 VAL A 69 9.299 -0.477 8.919 1.00 0.00 H new ATOM 0 HG23 VAL A 69 10.036 0.729 10.001 1.00 0.00 H new ATOM 1068 N LYS A 70 5.393 -0.679 11.601 1.00 0.00 N ATOM 1069 CA LYS A 70 4.368 -0.980 12.593 1.00 0.00 C ATOM 1070 C LYS A 70 3.610 -2.251 12.223 1.00 0.00 C ATOM 1071 O LYS A 70 3.298 -2.481 11.055 1.00 0.00 O ATOM 1072 CB LYS A 70 3.391 0.191 12.720 1.00 0.00 C ATOM 1073 CG LYS A 70 2.768 0.608 11.399 1.00 0.00 C ATOM 1074 CD LYS A 70 1.353 1.129 11.590 1.00 0.00 C ATOM 1075 CE LYS A 70 1.347 2.482 12.284 1.00 0.00 C ATOM 1076 NZ LYS A 70 1.387 3.607 11.308 1.00 0.00 N ATOM 0 H LYS A 70 5.242 -1.117 10.692 1.00 0.00 H new ATOM 0 HA LYS A 70 4.861 -1.138 13.552 1.00 0.00 H new ATOM 0 HB2 LYS A 70 2.598 -0.082 13.416 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.914 1.045 13.151 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.381 1.380 10.934 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.755 -0.242 10.717 1.00 0.00 H new ATOM 0 HD2 LYS A 70 0.861 1.214 10.621 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.777 0.414 12.178 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.453 2.569 12.902 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.205 2.551 12.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 1.652 4.484 11.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.087 3.400 10.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.449 3.724 10.874 1.00 0.00 H new ATOM 1090 N SER A 71 3.315 -3.072 13.226 1.00 0.00 N ATOM 1091 CA SER A 71 2.595 -4.321 13.005 1.00 0.00 C ATOM 1092 C SER A 71 1.287 -4.069 12.261 1.00 0.00 C ATOM 1093 O SER A 71 0.705 -2.988 12.352 1.00 0.00 O ATOM 1094 CB SER A 71 2.311 -5.013 14.340 1.00 0.00 C ATOM 1095 OG SER A 71 3.470 -5.657 14.837 1.00 0.00 O ATOM 0 H SER A 71 3.563 -2.895 14.199 1.00 0.00 H new ATOM 0 HA SER A 71 3.221 -4.970 12.393 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.959 -4.280 15.066 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.512 -5.743 14.212 1.00 0.00 H new ATOM 0 HG SER A 71 4.268 -5.197 14.503 1.00 0.00 H new ATOM 1101 N VAL A 72 0.831 -5.076 11.523 1.00 0.00 N ATOM 1102 CA VAL A 72 -0.409 -4.966 10.763 1.00 0.00 C ATOM 1103 C VAL A 72 -1.623 -5.208 11.653 1.00 0.00 C ATOM 1104 O VAL A 72 -2.554 -4.405 11.681 1.00 0.00 O ATOM 1105 CB VAL A 72 -0.438 -5.965 9.590 1.00 0.00 C ATOM 1106 CG1 VAL A 72 -1.462 -5.536 8.550 1.00 0.00 C ATOM 1107 CG2 VAL A 72 0.944 -6.097 8.968 1.00 0.00 C ATOM 0 H VAL A 72 1.301 -5.977 11.435 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.449 -3.951 10.368 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.732 -6.942 9.974 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.469 -6.253 7.729 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.451 -5.498 9.007 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.201 -4.549 8.168 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.905 -6.806 8.141 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.270 -5.125 8.597 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.649 -6.454 9.719 1.00 0.00 H new ATOM 1117 N ASN A 73 -1.604 -6.321 12.379 1.00 0.00 N ATOM 1118 CA ASN A 73 -2.704 -6.669 13.271 1.00 0.00 C ATOM 1119 C ASN A 73 -2.416 -6.207 14.697 1.00 0.00 C ATOM 1120 O ASN A 73 -3.180 -5.435 15.278 1.00 0.00 O ATOM 1121 CB ASN A 73 -2.946 -8.180 13.252 1.00 0.00 C ATOM 1122 CG ASN A 73 -4.267 -8.563 13.891 1.00 0.00 C ATOM 1123 OD1 ASN A 73 -5.329 -8.103 13.470 1.00 0.00 O ATOM 1124 ND2 ASN A 73 -4.206 -9.408 14.913 1.00 0.00 N ATOM 0 H ASN A 73 -0.840 -6.997 12.367 1.00 0.00 H new ATOM 0 HA ASN A 73 -3.600 -6.160 12.917 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -2.928 -8.535 12.222 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.133 -8.682 13.777 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -5.062 -9.702 15.384 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -3.303 -9.764 15.228 1.00 0.00 H new ATOM 1131 N LEU A 74 -1.309 -6.685 15.254 1.00 0.00 N ATOM 1132 CA LEU A 74 -0.918 -6.321 16.612 1.00 0.00 C ATOM 1133 C LEU A 74 -1.132 -4.831 16.860 1.00 0.00 C ATOM 1134 O LEU A 74 -1.614 -4.431 17.920 1.00 0.00 O ATOM 1135 CB LEU A 74 0.548 -6.684 16.856 1.00 0.00 C ATOM 1136 CG LEU A 74 0.896 -8.170 16.760 1.00 0.00 C ATOM 1137 CD1 LEU A 74 2.403 -8.360 16.671 1.00 0.00 C ATOM 1138 CD2 LEU A 74 0.330 -8.929 17.951 1.00 0.00 C ATOM 0 H LEU A 74 -0.666 -7.325 14.787 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.545 -6.880 17.306 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.161 -6.141 16.137 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.829 -6.329 17.847 1.00 0.00 H new ATOM 0 HG LEU A 74 0.445 -8.571 15.852 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.632 -9.423 16.603 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.782 -7.850 15.786 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.875 -7.943 17.560 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.588 -9.985 17.865 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.751 -8.526 18.872 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.754 -8.821 17.970 1.00 0.00 H new ATOM 1150 N ASP A 75 -0.774 -4.015 15.875 1.00 0.00 N ATOM 1151 CA ASP A 75 -0.930 -2.570 15.984 1.00 0.00 C ATOM 1152 C ASP A 75 -2.191 -2.103 15.263 1.00 0.00 C ATOM 1153 O ASP A 75 -2.720 -2.806 14.403 1.00 0.00 O ATOM 1154 CB ASP A 75 0.295 -1.858 15.408 1.00 0.00 C ATOM 1155 CG ASP A 75 1.371 -1.622 16.450 1.00 0.00 C ATOM 1156 OD1 ASP A 75 1.539 -2.486 17.336 1.00 0.00 O ATOM 1157 OD2 ASP A 75 2.045 -0.573 16.379 1.00 0.00 O ATOM 0 H ASP A 75 -0.373 -4.330 14.991 1.00 0.00 H new ATOM 0 HA ASP A 75 -1.023 -2.319 17.041 1.00 0.00 H new ATOM 0 HB2 ASP A 75 0.707 -2.453 14.593 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -0.011 -0.902 14.983 1.00 0.00 H new ATOM 1162 N GLN A 76 -2.666 -0.915 15.621 1.00 0.00 N ATOM 1163 CA GLN A 76 -3.866 -0.356 15.009 1.00 0.00 C ATOM 1164 C GLN A 76 -3.507 0.549 13.835 1.00 0.00 C ATOM 1165 O GLN A 76 -2.395 1.073 13.761 1.00 0.00 O ATOM 1166 CB GLN A 76 -4.675 0.427 16.044 1.00 0.00 C ATOM 1167 CG GLN A 76 -5.596 -0.444 16.882 1.00 0.00 C ATOM 1168 CD GLN A 76 -6.747 -1.018 16.079 1.00 0.00 C ATOM 1169 OE1 GLN A 76 -7.795 -0.387 15.937 1.00 0.00 O ATOM 1170 NE2 GLN A 76 -6.557 -2.220 15.549 1.00 0.00 N ATOM 0 H GLN A 76 -2.239 -0.321 16.331 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.471 -1.182 14.635 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -3.988 0.956 16.705 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.270 1.183 15.532 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.020 -1.260 17.319 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -5.993 0.144 17.709 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -5.672 -2.707 15.693 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.296 -2.657 14.998 1.00 0.00 H new ATOM 1179 N TRP A 77 -4.454 0.728 12.922 1.00 0.00 N ATOM 1180 CA TRP A 77 -4.237 1.571 11.751 1.00 0.00 C ATOM 1181 C TRP A 77 -5.379 2.566 11.578 1.00 0.00 C ATOM 1182 O TRP A 77 -6.377 2.514 12.297 1.00 0.00 O ATOM 1183 CB TRP A 77 -4.101 0.708 10.495 1.00 0.00 C ATOM 1184 CG TRP A 77 -2.835 -0.094 10.460 1.00 0.00 C ATOM 1185 CD1 TRP A 77 -2.400 -0.980 11.405 1.00 0.00 C ATOM 1186 CD2 TRP A 77 -1.842 -0.083 9.429 1.00 0.00 C ATOM 1187 NE1 TRP A 77 -1.196 -1.519 11.023 1.00 0.00 N ATOM 1188 CE2 TRP A 77 -0.832 -0.987 9.815 1.00 0.00 C ATOM 1189 CE3 TRP A 77 -1.708 0.600 8.218 1.00 0.00 C ATOM 1190 CZ2 TRP A 77 0.295 -1.221 9.031 1.00 0.00 C ATOM 1191 CZ3 TRP A 77 -0.589 0.366 7.442 1.00 0.00 C ATOM 1192 CH2 TRP A 77 0.400 -0.539 7.850 1.00 0.00 C ATOM 0 H TRP A 77 -5.379 0.301 12.969 1.00 0.00 H new ATOM 0 HA TRP A 77 -3.313 2.130 11.902 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -4.953 0.031 10.434 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -4.140 1.350 9.615 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -2.925 -1.221 12.317 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -0.659 -2.205 11.554 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -2.465 1.298 7.894 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 1.059 -1.917 9.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -0.475 0.890 6.504 1.00 0.00 H new ATOM 0 HH2 TRP A 77 1.262 -0.701 7.220 1.00 0.00 H new ATOM 1203 N THR A 78 -5.226 3.474 10.618 1.00 0.00 N ATOM 1204 CA THR A 78 -6.244 4.482 10.351 1.00 0.00 C ATOM 1205 C THR A 78 -6.473 4.650 8.854 1.00 0.00 C ATOM 1206 O THR A 78 -5.540 4.543 8.058 1.00 0.00 O ATOM 1207 CB THR A 78 -5.857 5.845 10.955 1.00 0.00 C ATOM 1208 OG1 THR A 78 -4.515 6.182 10.585 1.00 0.00 O ATOM 1209 CG2 THR A 78 -5.978 5.819 12.472 1.00 0.00 C ATOM 0 H THR A 78 -4.407 3.531 10.013 1.00 0.00 H new ATOM 0 HA THR A 78 -7.164 4.133 10.820 1.00 0.00 H new ATOM 0 HB THR A 78 -6.541 6.598 10.564 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.496 6.466 9.647 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.700 6.792 12.876 1.00 0.00 H new ATOM 0 HG22 THR A 78 -7.007 5.591 12.751 1.00 0.00 H new ATOM 0 HG23 THR A 78 -5.314 5.055 12.877 1.00 0.00 H new ATOM 1217 N ALA A 79 -7.719 4.914 8.476 1.00 0.00 N ATOM 1218 CA ALA A 79 -8.069 5.099 7.073 1.00 0.00 C ATOM 1219 C ALA A 79 -6.960 5.827 6.322 1.00 0.00 C ATOM 1220 O ALA A 79 -6.582 5.431 5.220 1.00 0.00 O ATOM 1221 CB ALA A 79 -9.380 5.862 6.952 1.00 0.00 C ATOM 0 H ALA A 79 -8.503 5.005 9.122 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.192 4.114 6.622 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.629 5.993 5.899 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.174 5.302 7.446 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.277 6.839 7.425 1.00 0.00 H new ATOM 1227 N GLU A 80 -6.443 6.893 6.925 1.00 0.00 N ATOM 1228 CA GLU A 80 -5.378 7.677 6.311 1.00 0.00 C ATOM 1229 C GLU A 80 -4.257 6.771 5.808 1.00 0.00 C ATOM 1230 O GLU A 80 -3.872 6.835 4.641 1.00 0.00 O ATOM 1231 CB GLU A 80 -4.819 8.691 7.311 1.00 0.00 C ATOM 1232 CG GLU A 80 -5.694 9.921 7.483 1.00 0.00 C ATOM 1233 CD GLU A 80 -5.910 10.670 6.182 1.00 0.00 C ATOM 1234 OE1 GLU A 80 -4.948 11.296 5.691 1.00 0.00 O ATOM 1235 OE2 GLU A 80 -7.042 10.629 5.656 1.00 0.00 O ATOM 0 H GLU A 80 -6.745 7.233 7.838 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.800 8.212 5.460 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.696 8.205 8.279 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -3.828 9.004 6.983 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.660 9.621 7.890 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.235 10.590 8.211 1.00 0.00 H new ATOM 1242 N GLN A 81 -3.740 5.930 6.698 1.00 0.00 N ATOM 1243 CA GLN A 81 -2.663 5.013 6.345 1.00 0.00 C ATOM 1244 C GLN A 81 -3.176 3.888 5.453 1.00 0.00 C ATOM 1245 O GLN A 81 -2.580 3.581 4.420 1.00 0.00 O ATOM 1246 CB GLN A 81 -2.027 4.429 7.608 1.00 0.00 C ATOM 1247 CG GLN A 81 -1.031 5.363 8.275 1.00 0.00 C ATOM 1248 CD GLN A 81 -1.697 6.365 9.197 1.00 0.00 C ATOM 1249 OE1 GLN A 81 -2.639 7.056 8.806 1.00 0.00 O ATOM 1250 NE2 GLN A 81 -1.211 6.450 10.430 1.00 0.00 N ATOM 0 H GLN A 81 -4.049 5.865 7.668 1.00 0.00 H new ATOM 0 HA GLN A 81 -1.909 5.574 5.793 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.814 4.182 8.320 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -1.524 3.496 7.353 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -0.311 4.774 8.844 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -0.470 5.898 7.508 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -0.429 5.858 10.712 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -1.619 7.107 11.095 1.00 0.00 H new ATOM 1259 N ILE A 82 -4.284 3.277 5.858 1.00 0.00 N ATOM 1260 CA ILE A 82 -4.878 2.187 5.095 1.00 0.00 C ATOM 1261 C ILE A 82 -4.922 2.518 3.607 1.00 0.00 C ATOM 1262 O ILE A 82 -4.438 1.750 2.776 1.00 0.00 O ATOM 1263 CB ILE A 82 -6.304 1.870 5.582 1.00 0.00 C ATOM 1264 CG1 ILE A 82 -6.262 1.238 6.975 1.00 0.00 C ATOM 1265 CG2 ILE A 82 -7.007 0.948 4.597 1.00 0.00 C ATOM 1266 CD1 ILE A 82 -5.280 0.094 7.090 1.00 0.00 C ATOM 0 H ILE A 82 -4.789 3.519 6.711 1.00 0.00 H new ATOM 0 HA ILE A 82 -4.247 1.312 5.252 1.00 0.00 H new ATOM 0 HB ILE A 82 -6.867 2.801 5.643 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -6.002 2.004 7.705 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.258 0.878 7.232 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -8.014 0.733 4.955 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -7.064 1.433 3.622 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -6.447 0.017 4.507 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -5.304 -0.305 8.104 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -5.552 -0.691 6.384 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.276 0.453 6.865 1.00 0.00 H new ATOM 1278 N GLN A 83 -5.505 3.666 3.279 1.00 0.00 N ATOM 1279 CA GLN A 83 -5.611 4.099 1.891 1.00 0.00 C ATOM 1280 C GLN A 83 -4.253 4.051 1.200 1.00 0.00 C ATOM 1281 O GLN A 83 -4.141 3.602 0.059 1.00 0.00 O ATOM 1282 CB GLN A 83 -6.183 5.516 1.819 1.00 0.00 C ATOM 1283 CG GLN A 83 -6.883 5.824 0.505 1.00 0.00 C ATOM 1284 CD GLN A 83 -8.284 5.250 0.441 1.00 0.00 C ATOM 1285 OE1 GLN A 83 -8.602 4.454 -0.443 1.00 0.00 O ATOM 1286 NE2 GLN A 83 -9.132 5.652 1.381 1.00 0.00 N ATOM 0 H GLN A 83 -5.911 4.313 3.955 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.285 3.416 1.375 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -6.888 5.656 2.638 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -5.375 6.233 1.967 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -6.931 6.904 0.368 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -6.293 5.424 -0.319 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -8.826 6.313 2.095 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -10.089 5.299 1.389 1.00 0.00 H new ATOM 1295 N CYS A 84 -3.223 4.517 1.898 1.00 0.00 N ATOM 1296 CA CYS A 84 -1.871 4.529 1.351 1.00 0.00 C ATOM 1297 C CYS A 84 -1.473 3.142 0.854 1.00 0.00 C ATOM 1298 O CYS A 84 -1.135 2.964 -0.315 1.00 0.00 O ATOM 1299 CB CYS A 84 -0.875 5.010 2.407 1.00 0.00 C ATOM 1300 SG CYS A 84 0.784 5.334 1.764 1.00 0.00 S ATOM 0 H CYS A 84 -3.298 4.891 2.844 1.00 0.00 H new ATOM 0 HA CYS A 84 -1.854 5.217 0.506 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -1.260 5.921 2.865 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -0.807 4.260 3.195 1.00 0.00 H new ATOM 0 HG CYS A 84 1.658 4.680 2.470 1.00 0.00 H new ATOM 1306 N MET A 85 -1.517 2.163 1.752 1.00 0.00 N ATOM 1307 CA MET A 85 -1.160 0.792 1.405 1.00 0.00 C ATOM 1308 C MET A 85 -1.592 0.463 -0.020 1.00 0.00 C ATOM 1309 O MET A 85 -0.784 0.021 -0.836 1.00 0.00 O ATOM 1310 CB MET A 85 -1.805 -0.189 2.386 1.00 0.00 C ATOM 1311 CG MET A 85 -1.142 -0.206 3.753 1.00 0.00 C ATOM 1312 SD MET A 85 0.630 -0.529 3.661 1.00 0.00 S ATOM 1313 CE MET A 85 0.638 -2.169 2.942 1.00 0.00 C ATOM 0 H MET A 85 -1.796 2.293 2.724 1.00 0.00 H new ATOM 0 HA MET A 85 -0.076 0.697 1.468 1.00 0.00 H new ATOM 0 HB2 MET A 85 -2.857 0.068 2.505 1.00 0.00 H new ATOM 0 HB3 MET A 85 -1.768 -1.192 1.961 1.00 0.00 H new ATOM 0 HG2 MET A 85 -1.308 0.752 4.245 1.00 0.00 H new ATOM 0 HG3 MET A 85 -1.615 -0.968 4.372 1.00 0.00 H new ATOM 0 HE1 MET A 85 1.146 -2.859 3.616 1.00 0.00 H new ATOM 0 HE2 MET A 85 -0.388 -2.503 2.786 1.00 0.00 H new ATOM 0 HE3 MET A 85 1.161 -2.145 1.986 1.00 0.00 H new ATOM 1323 N GLN A 86 -2.871 0.680 -0.311 1.00 0.00 N ATOM 1324 CA GLN A 86 -3.409 0.405 -1.638 1.00 0.00 C ATOM 1325 C GLN A 86 -2.847 1.380 -2.667 1.00 0.00 C ATOM 1326 O GLN A 86 -2.362 0.973 -3.723 1.00 0.00 O ATOM 1327 CB GLN A 86 -4.936 0.488 -1.620 1.00 0.00 C ATOM 1328 CG GLN A 86 -5.586 -0.460 -0.625 1.00 0.00 C ATOM 1329 CD GLN A 86 -5.777 0.168 0.741 1.00 0.00 C ATOM 1330 OE1 GLN A 86 -5.104 -0.380 1.746 1.00 0.00 O flip ATOM 1331 NE2 GLN A 86 -6.523 1.137 0.893 1.00 0.00 N flip ATOM 0 H GLN A 86 -3.553 1.045 0.354 1.00 0.00 H new ATOM 0 HA GLN A 86 -3.110 -0.604 -1.921 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -5.233 1.510 -1.383 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -5.315 0.269 -2.618 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -6.554 -0.779 -1.012 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -4.971 -1.355 -0.526 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -7.022 1.527 0.093 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -6.642 1.549 1.819 1.00 0.00 H new ATOM 1340 N ASP A 87 -2.916 2.669 -2.352 1.00 0.00 N ATOM 1341 CA ASP A 87 -2.413 3.703 -3.249 1.00 0.00 C ATOM 1342 C ASP A 87 -1.061 3.306 -3.833 1.00 0.00 C ATOM 1343 O ASP A 87 -0.831 3.435 -5.035 1.00 0.00 O ATOM 1344 CB ASP A 87 -2.291 5.035 -2.508 1.00 0.00 C ATOM 1345 CG ASP A 87 -3.585 5.825 -2.519 1.00 0.00 C ATOM 1346 OD1 ASP A 87 -4.656 5.207 -2.690 1.00 0.00 O ATOM 1347 OD2 ASP A 87 -3.526 7.062 -2.356 1.00 0.00 O ATOM 0 H ASP A 87 -3.315 3.023 -1.483 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.123 3.815 -4.068 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.992 4.848 -1.477 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -1.501 5.631 -2.966 1.00 0.00 H new ATOM 1352 N MET A 88 -0.170 2.823 -2.973 1.00 0.00 N ATOM 1353 CA MET A 88 1.160 2.407 -3.405 1.00 0.00 C ATOM 1354 C MET A 88 1.192 0.910 -3.698 1.00 0.00 C ATOM 1355 O MET A 88 1.242 0.495 -4.855 1.00 0.00 O ATOM 1356 CB MET A 88 2.198 2.751 -2.335 1.00 0.00 C ATOM 1357 CG MET A 88 3.627 2.448 -2.755 1.00 0.00 C ATOM 1358 SD MET A 88 4.401 3.821 -3.630 1.00 0.00 S ATOM 1359 CE MET A 88 5.628 2.953 -4.604 1.00 0.00 C ATOM 0 H MET A 88 -0.344 2.710 -1.974 1.00 0.00 H new ATOM 0 HA MET A 88 1.402 2.945 -4.322 1.00 0.00 H new ATOM 0 HB2 MET A 88 2.117 3.810 -2.089 1.00 0.00 H new ATOM 0 HB3 MET A 88 1.969 2.194 -1.426 1.00 0.00 H new ATOM 0 HG2 MET A 88 4.218 2.207 -1.871 1.00 0.00 H new ATOM 0 HG3 MET A 88 3.634 1.565 -3.394 1.00 0.00 H new ATOM 0 HE1 MET A 88 6.294 3.675 -5.078 1.00 0.00 H new ATOM 0 HE2 MET A 88 6.208 2.295 -3.956 1.00 0.00 H new ATOM 0 HE3 MET A 88 5.130 2.360 -5.371 1.00 0.00 H new ATOM 1369 N GLY A 89 1.164 0.103 -2.641 1.00 0.00 N ATOM 1370 CA GLY A 89 1.192 -1.338 -2.807 1.00 0.00 C ATOM 1371 C GLY A 89 2.490 -1.826 -3.418 1.00 0.00 C ATOM 1372 O GLY A 89 3.188 -1.072 -4.094 1.00 0.00 O ATOM 0 H GLY A 89 1.122 0.422 -1.673 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.048 -1.815 -1.838 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.359 -1.644 -3.439 1.00 0.00 H new ATOM 1376 N ASN A 90 2.815 -3.093 -3.178 1.00 0.00 N ATOM 1377 CA ASN A 90 4.040 -3.680 -3.709 1.00 0.00 C ATOM 1378 C ASN A 90 4.130 -3.480 -5.218 1.00 0.00 C ATOM 1379 O ASN A 90 5.136 -2.988 -5.732 1.00 0.00 O ATOM 1380 CB ASN A 90 4.100 -5.173 -3.376 1.00 0.00 C ATOM 1381 CG ASN A 90 4.012 -5.437 -1.885 1.00 0.00 C ATOM 1382 OD1 ASN A 90 3.132 -4.915 -1.202 1.00 0.00 O ATOM 1383 ND2 ASN A 90 4.929 -6.251 -1.374 1.00 0.00 N ATOM 0 H ASN A 90 2.248 -3.732 -2.620 1.00 0.00 H new ATOM 0 HA ASN A 90 4.887 -3.176 -3.243 1.00 0.00 H new ATOM 0 HB2 ASN A 90 3.284 -5.688 -3.882 1.00 0.00 H new ATOM 0 HB3 ASN A 90 5.029 -5.592 -3.762 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.922 -6.466 -0.377 1.00 0.00 H new ATOM 0 HD22 ASN A 90 5.640 -6.661 -1.979 1.00 0.00 H new ATOM 1390 N THR A 91 3.072 -3.865 -5.925 1.00 0.00 N ATOM 1391 CA THR A 91 3.031 -3.729 -7.375 1.00 0.00 C ATOM 1392 C THR A 91 3.797 -2.493 -7.834 1.00 0.00 C ATOM 1393 O THR A 91 4.801 -2.598 -8.539 1.00 0.00 O ATOM 1394 CB THR A 91 1.582 -3.640 -7.891 1.00 0.00 C ATOM 1395 OG1 THR A 91 0.818 -4.745 -7.395 1.00 0.00 O ATOM 1396 CG2 THR A 91 1.548 -3.635 -9.411 1.00 0.00 C ATOM 0 H THR A 91 2.232 -4.274 -5.516 1.00 0.00 H new ATOM 0 HA THR A 91 3.503 -4.621 -7.788 1.00 0.00 H new ATOM 0 HB THR A 91 1.148 -2.707 -7.531 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.102 -4.681 -7.726 1.00 0.00 H new ATOM 0 HG21 THR A 91 0.515 -3.572 -9.752 1.00 0.00 H new ATOM 0 HG22 THR A 91 2.107 -2.777 -9.785 1.00 0.00 H new ATOM 0 HG23 THR A 91 1.999 -4.553 -9.788 1.00 0.00 H new ATOM 1404 N LYS A 92 3.319 -1.322 -7.428 1.00 0.00 N ATOM 1405 CA LYS A 92 3.960 -0.065 -7.795 1.00 0.00 C ATOM 1406 C LYS A 92 5.361 0.025 -7.200 1.00 0.00 C ATOM 1407 O LYS A 92 6.328 0.312 -7.905 1.00 0.00 O ATOM 1408 CB LYS A 92 3.115 1.120 -7.320 1.00 0.00 C ATOM 1409 CG LYS A 92 1.841 1.319 -8.122 1.00 0.00 C ATOM 1410 CD LYS A 92 1.339 2.750 -8.026 1.00 0.00 C ATOM 1411 CE LYS A 92 2.169 3.690 -8.887 1.00 0.00 C ATOM 1412 NZ LYS A 92 1.702 5.100 -8.777 1.00 0.00 N ATOM 0 H LYS A 92 2.489 -1.217 -6.844 1.00 0.00 H new ATOM 0 HA LYS A 92 4.043 -0.032 -8.881 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.855 0.973 -6.272 1.00 0.00 H new ATOM 0 HB3 LYS A 92 3.715 2.028 -7.375 1.00 0.00 H new ATOM 0 HG2 LYS A 92 2.024 1.066 -9.166 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.072 0.637 -7.759 1.00 0.00 H new ATOM 0 HD2 LYS A 92 0.296 2.793 -8.340 1.00 0.00 H new ATOM 0 HD3 LYS A 92 1.373 3.080 -6.988 1.00 0.00 H new ATOM 0 HE2 LYS A 92 3.215 3.629 -8.587 1.00 0.00 H new ATOM 0 HE3 LYS A 92 2.117 3.370 -9.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 2.293 5.709 -9.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 0.711 5.163 -9.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 1.775 5.414 -7.788 1.00 0.00 H new ATOM 1426 N ALA A 93 5.464 -0.222 -5.898 1.00 0.00 N ATOM 1427 CA ALA A 93 6.747 -0.172 -5.209 1.00 0.00 C ATOM 1428 C ALA A 93 7.844 -0.823 -6.045 1.00 0.00 C ATOM 1429 O ALA A 93 8.998 -0.396 -6.012 1.00 0.00 O ATOM 1430 CB ALA A 93 6.644 -0.849 -3.851 1.00 0.00 C ATOM 0 H ALA A 93 4.673 -0.459 -5.299 1.00 0.00 H new ATOM 0 HA ALA A 93 7.011 0.875 -5.061 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.610 -0.804 -3.348 1.00 0.00 H new ATOM 0 HB2 ALA A 93 5.895 -0.338 -3.246 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.353 -1.891 -3.985 1.00 0.00 H new ATOM 1436 N ARG A 94 7.476 -1.859 -6.792 1.00 0.00 N ATOM 1437 CA ARG A 94 8.430 -2.570 -7.635 1.00 0.00 C ATOM 1438 C ARG A 94 8.742 -1.770 -8.897 1.00 0.00 C ATOM 1439 O ARG A 94 9.906 -1.587 -9.257 1.00 0.00 O ATOM 1440 CB ARG A 94 7.882 -3.947 -8.013 1.00 0.00 C ATOM 1441 CG ARG A 94 8.766 -4.708 -8.987 1.00 0.00 C ATOM 1442 CD ARG A 94 7.980 -5.771 -9.739 1.00 0.00 C ATOM 1443 NE ARG A 94 7.827 -6.995 -8.958 1.00 0.00 N ATOM 1444 CZ ARG A 94 7.799 -8.210 -9.493 1.00 0.00 C ATOM 1445 NH1 ARG A 94 7.914 -8.363 -10.805 1.00 0.00 N ATOM 1446 NH2 ARG A 94 7.656 -9.276 -8.716 1.00 0.00 N ATOM 0 H ARG A 94 6.525 -2.225 -6.831 1.00 0.00 H new ATOM 0 HA ARG A 94 9.353 -2.697 -7.069 1.00 0.00 H new ATOM 0 HB2 ARG A 94 7.759 -4.541 -7.107 1.00 0.00 H new ATOM 0 HB3 ARG A 94 6.892 -3.826 -8.452 1.00 0.00 H new ATOM 0 HG2 ARG A 94 9.210 -4.011 -9.698 1.00 0.00 H new ATOM 0 HG3 ARG A 94 9.587 -5.177 -8.445 1.00 0.00 H new ATOM 0 HD2 ARG A 94 6.996 -5.380 -9.996 1.00 0.00 H new ATOM 0 HD3 ARG A 94 8.486 -6.000 -10.677 1.00 0.00 H new ATOM 0 HE ARG A 94 7.737 -6.912 -7.945 1.00 0.00 H new ATOM 0 HH11 ARG A 94 8.024 -7.546 -11.406 1.00 0.00 H new ATOM 0 HH12 ARG A 94 7.892 -9.297 -11.213 1.00 0.00 H new ATOM 0 HH21 ARG A 94 7.567 -9.163 -7.706 1.00 0.00 H new ATOM 0 HH22 ARG A 94 7.635 -10.209 -9.129 1.00 0.00 H new ATOM 1460 N LEU A 95 7.696 -1.298 -9.565 1.00 0.00 N ATOM 1461 CA LEU A 95 7.858 -0.518 -10.787 1.00 0.00 C ATOM 1462 C LEU A 95 8.525 0.822 -10.494 1.00 0.00 C ATOM 1463 O LEU A 95 8.865 1.572 -11.411 1.00 0.00 O ATOM 1464 CB LEU A 95 6.500 -0.289 -11.453 1.00 0.00 C ATOM 1465 CG LEU A 95 5.646 -1.537 -11.682 1.00 0.00 C ATOM 1466 CD1 LEU A 95 4.214 -1.150 -12.018 1.00 0.00 C ATOM 1467 CD2 LEU A 95 6.242 -2.396 -12.788 1.00 0.00 C ATOM 0 H LEU A 95 6.727 -1.441 -9.282 1.00 0.00 H new ATOM 0 HA LEU A 95 8.499 -1.081 -11.465 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.930 0.409 -10.840 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.667 0.194 -12.416 1.00 0.00 H new ATOM 0 HG LEU A 95 5.636 -2.121 -10.762 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.622 -2.051 -12.178 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.789 -0.577 -11.194 1.00 0.00 H new ATOM 0 HD13 LEU A 95 4.204 -0.544 -12.924 1.00 0.00 H new ATOM 0 HD21 LEU A 95 5.621 -3.279 -12.937 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.283 -1.821 -13.713 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.249 -2.704 -12.507 1.00 0.00 H new ATOM 1479 N LEU A 96 8.712 1.116 -9.213 1.00 0.00 N ATOM 1480 CA LEU A 96 9.342 2.365 -8.798 1.00 0.00 C ATOM 1481 C LEU A 96 10.720 2.107 -8.196 1.00 0.00 C ATOM 1482 O LEU A 96 11.735 2.559 -8.726 1.00 0.00 O ATOM 1483 CB LEU A 96 8.458 3.093 -7.784 1.00 0.00 C ATOM 1484 CG LEU A 96 8.772 4.572 -7.559 1.00 0.00 C ATOM 1485 CD1 LEU A 96 10.240 4.759 -7.209 1.00 0.00 C ATOM 1486 CD2 LEU A 96 8.407 5.388 -8.791 1.00 0.00 C ATOM 0 H LEU A 96 8.436 0.507 -8.443 1.00 0.00 H new ATOM 0 HA LEU A 96 9.464 2.992 -9.681 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.421 3.008 -8.109 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.536 2.576 -6.827 1.00 0.00 H new ATOM 0 HG LEU A 96 8.172 4.928 -6.721 1.00 0.00 H new ATOM 0 HD11 LEU A 96 10.445 5.818 -7.052 1.00 0.00 H new ATOM 0 HD12 LEU A 96 10.470 4.206 -6.298 1.00 0.00 H new ATOM 0 HD13 LEU A 96 10.859 4.387 -8.025 1.00 0.00 H new ATOM 0 HD21 LEU A 96 8.637 6.438 -8.613 1.00 0.00 H new ATOM 0 HD22 LEU A 96 8.980 5.031 -9.647 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.342 5.280 -8.997 1.00 0.00 H new ATOM 1498 N TYR A 97 10.747 1.376 -7.088 1.00 0.00 N ATOM 1499 CA TYR A 97 12.000 1.057 -6.413 1.00 0.00 C ATOM 1500 C TYR A 97 12.783 0.002 -7.189 1.00 0.00 C ATOM 1501 O TYR A 97 13.981 0.153 -7.427 1.00 0.00 O ATOM 1502 CB TYR A 97 11.728 0.563 -4.992 1.00 0.00 C ATOM 1503 CG TYR A 97 11.285 1.656 -4.046 1.00 0.00 C ATOM 1504 CD1 TYR A 97 12.214 2.449 -3.384 1.00 0.00 C ATOM 1505 CD2 TYR A 97 9.936 1.897 -3.814 1.00 0.00 C ATOM 1506 CE1 TYR A 97 11.814 3.448 -2.518 1.00 0.00 C ATOM 1507 CE2 TYR A 97 9.526 2.895 -2.951 1.00 0.00 C ATOM 1508 CZ TYR A 97 10.469 3.667 -2.305 1.00 0.00 C ATOM 1509 OH TYR A 97 10.066 4.663 -1.445 1.00 0.00 O ATOM 0 H TYR A 97 9.916 0.993 -6.638 1.00 0.00 H new ATOM 0 HA TYR A 97 12.599 1.967 -6.365 1.00 0.00 H new ATOM 0 HB2 TYR A 97 10.960 -0.210 -5.026 1.00 0.00 H new ATOM 0 HB3 TYR A 97 12.632 0.098 -4.599 1.00 0.00 H new ATOM 0 HD1 TYR A 97 13.268 2.281 -3.549 1.00 0.00 H new ATOM 0 HD2 TYR A 97 9.195 1.293 -4.317 1.00 0.00 H new ATOM 0 HE1 TYR A 97 12.550 4.054 -2.011 1.00 0.00 H new ATOM 0 HE2 TYR A 97 8.473 3.070 -2.783 1.00 0.00 H new ATOM 0 HH TYR A 97 9.087 4.686 -1.407 1.00 0.00 H new ATOM 1519 N GLU A 98 12.096 -1.067 -7.580 1.00 0.00 N ATOM 1520 CA GLU A 98 12.727 -2.148 -8.329 1.00 0.00 C ATOM 1521 C GLU A 98 12.703 -1.858 -9.827 1.00 0.00 C ATOM 1522 O GLU A 98 12.538 -2.765 -10.642 1.00 0.00 O ATOM 1523 CB GLU A 98 12.021 -3.475 -8.043 1.00 0.00 C ATOM 1524 CG GLU A 98 12.292 -4.020 -6.651 1.00 0.00 C ATOM 1525 CD GLU A 98 11.218 -4.984 -6.183 1.00 0.00 C ATOM 1526 OE1 GLU A 98 11.177 -6.122 -6.695 1.00 0.00 O ATOM 1527 OE2 GLU A 98 10.418 -4.599 -5.304 1.00 0.00 O ATOM 0 H GLU A 98 11.104 -1.208 -7.391 1.00 0.00 H new ATOM 0 HA GLU A 98 13.766 -2.221 -8.008 1.00 0.00 H new ATOM 0 HB2 GLU A 98 10.947 -3.340 -8.168 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.338 -4.212 -8.781 1.00 0.00 H new ATOM 0 HG2 GLU A 98 13.257 -4.526 -6.645 1.00 0.00 H new ATOM 0 HG3 GLU A 98 12.362 -3.191 -5.947 1.00 0.00 H new ATOM 1534 N ALA A 99 12.867 -0.588 -10.181 1.00 0.00 N ATOM 1535 CA ALA A 99 12.866 -0.179 -11.580 1.00 0.00 C ATOM 1536 C ALA A 99 14.271 0.183 -12.047 1.00 0.00 C ATOM 1537 O ALA A 99 14.634 -0.058 -13.198 1.00 0.00 O ATOM 1538 CB ALA A 99 11.920 0.996 -11.785 1.00 0.00 C ATOM 0 H ALA A 99 13.002 0.176 -9.518 1.00 0.00 H new ATOM 0 HA ALA A 99 12.518 -1.021 -12.179 1.00 0.00 H new ATOM 0 HB1 ALA A 99 11.929 1.291 -12.834 1.00 0.00 H new ATOM 0 HB2 ALA A 99 10.910 0.704 -11.499 1.00 0.00 H new ATOM 0 HB3 ALA A 99 12.243 1.835 -11.169 1.00 0.00 H new ATOM 1544 N ASN A 100 15.058 0.764 -11.148 1.00 0.00 N ATOM 1545 CA ASN A 100 16.424 1.161 -11.469 1.00 0.00 C ATOM 1546 C ASN A 100 17.418 0.086 -11.038 1.00 0.00 C ATOM 1547 O ASN A 100 18.598 0.367 -10.822 1.00 0.00 O ATOM 1548 CB ASN A 100 16.765 2.489 -10.790 1.00 0.00 C ATOM 1549 CG ASN A 100 16.307 3.686 -11.600 1.00 0.00 C ATOM 1550 OD1 ASN A 100 15.481 4.530 -10.992 1.00 0.00 O flip ATOM 1551 ND2 ASN A 100 16.691 3.851 -12.758 1.00 0.00 N flip ATOM 0 H ASN A 100 14.773 0.971 -10.191 1.00 0.00 H new ATOM 0 HA ASN A 100 16.495 1.285 -12.550 1.00 0.00 H new ATOM 0 HB2 ASN A 100 16.299 2.521 -9.805 1.00 0.00 H new ATOM 0 HB3 ASN A 100 17.842 2.549 -10.635 1.00 0.00 H new ATOM 0 HD21 ASN A 100 17.326 3.177 -13.186 1.00 0.00 H new ATOM 0 HD22 ASN A 100 16.374 4.662 -13.290 1.00 0.00 H new ATOM 1558 N LEU A 101 16.934 -1.144 -10.914 1.00 0.00 N ATOM 1559 CA LEU A 101 17.779 -2.262 -10.509 1.00 0.00 C ATOM 1560 C LEU A 101 18.708 -2.681 -11.644 1.00 0.00 C ATOM 1561 O LEU A 101 18.432 -2.453 -12.822 1.00 0.00 O ATOM 1562 CB LEU A 101 16.917 -3.449 -10.076 1.00 0.00 C ATOM 1563 CG LEU A 101 16.383 -3.403 -8.644 1.00 0.00 C ATOM 1564 CD1 LEU A 101 15.331 -4.481 -8.433 1.00 0.00 C ATOM 1565 CD2 LEU A 101 17.520 -3.562 -7.646 1.00 0.00 C ATOM 0 H LEU A 101 15.960 -1.393 -11.088 1.00 0.00 H new ATOM 0 HA LEU A 101 18.388 -1.937 -9.666 1.00 0.00 H new ATOM 0 HB2 LEU A 101 16.069 -3.524 -10.757 1.00 0.00 H new ATOM 0 HB3 LEU A 101 17.503 -4.360 -10.195 1.00 0.00 H new ATOM 0 HG LEU A 101 15.916 -2.432 -8.481 1.00 0.00 H new ATOM 0 HD11 LEU A 101 14.962 -4.434 -7.408 1.00 0.00 H new ATOM 0 HD12 LEU A 101 14.504 -4.322 -9.124 1.00 0.00 H new ATOM 0 HD13 LEU A 101 15.773 -5.461 -8.615 1.00 0.00 H new ATOM 0 HD21 LEU A 101 17.122 -3.527 -6.632 1.00 0.00 H new ATOM 0 HD22 LEU A 101 18.015 -4.519 -7.808 1.00 0.00 H new ATOM 0 HD23 LEU A 101 18.239 -2.754 -7.782 1.00 0.00 H new ATOM 1664 N ARG A 107 18.603 -10.663 -4.997 1.00 0.00 N ATOM 1665 CA ARG A 107 18.121 -10.384 -3.649 1.00 0.00 C ATOM 1666 C ARG A 107 19.101 -10.904 -2.602 1.00 0.00 C ATOM 1667 O ARG A 107 19.492 -12.072 -2.608 1.00 0.00 O ATOM 1668 CB ARG A 107 16.745 -11.018 -3.435 1.00 0.00 C ATOM 1669 CG ARG A 107 15.598 -10.184 -3.980 1.00 0.00 C ATOM 1670 CD ARG A 107 14.374 -11.039 -4.267 1.00 0.00 C ATOM 1671 NE ARG A 107 14.376 -11.557 -5.633 1.00 0.00 N ATOM 1672 CZ ARG A 107 13.921 -10.876 -6.678 1.00 0.00 C ATOM 1673 NH1 ARG A 107 13.430 -9.655 -6.515 1.00 0.00 N ATOM 1674 NH2 ARG A 107 13.957 -11.415 -7.890 1.00 0.00 N ATOM 0 HA ARG A 107 18.037 -9.303 -3.537 1.00 0.00 H new ATOM 0 HB2 ARG A 107 16.728 -11.998 -3.911 1.00 0.00 H new ATOM 0 HB3 ARG A 107 16.591 -11.179 -2.368 1.00 0.00 H new ATOM 0 HG2 ARG A 107 15.339 -9.406 -3.262 1.00 0.00 H new ATOM 0 HG3 ARG A 107 15.914 -9.682 -4.894 1.00 0.00 H new ATOM 0 HD2 ARG A 107 14.340 -11.871 -3.564 1.00 0.00 H new ATOM 0 HD3 ARG A 107 13.473 -10.448 -4.105 1.00 0.00 H new ATOM 0 HE ARG A 107 14.747 -12.493 -5.793 1.00 0.00 H new ATOM 0 HH11 ARG A 107 13.401 -9.237 -5.585 1.00 0.00 H new ATOM 0 HH12 ARG A 107 13.081 -9.134 -7.320 1.00 0.00 H new ATOM 0 HH21 ARG A 107 14.335 -12.354 -8.020 1.00 0.00 H new ATOM 0 HH22 ARG A 107 13.607 -10.891 -8.692 1.00 0.00 H new ATOM 1688 N PRO A 108 19.509 -10.019 -1.682 1.00 0.00 N ATOM 1689 CA PRO A 108 20.449 -10.365 -0.612 1.00 0.00 C ATOM 1690 C PRO A 108 19.832 -11.302 0.421 1.00 0.00 C ATOM 1691 O PRO A 108 18.682 -11.125 0.823 1.00 0.00 O ATOM 1692 CB PRO A 108 20.779 -9.012 0.023 1.00 0.00 C ATOM 1693 CG PRO A 108 19.598 -8.155 -0.276 1.00 0.00 C ATOM 1694 CD PRO A 108 19.085 -8.610 -1.614 1.00 0.00 C ATOM 0 HA PRO A 108 21.321 -10.896 -0.993 1.00 0.00 H new ATOM 0 HB2 PRO A 108 20.937 -9.107 1.097 1.00 0.00 H new ATOM 0 HB3 PRO A 108 21.691 -8.589 -0.398 1.00 0.00 H new ATOM 0 HG2 PRO A 108 18.833 -8.263 0.493 1.00 0.00 H new ATOM 0 HG3 PRO A 108 19.877 -7.102 -0.303 1.00 0.00 H new ATOM 0 HD2 PRO A 108 18.002 -8.513 -1.683 1.00 0.00 H new ATOM 0 HD3 PRO A 108 19.510 -8.023 -2.428 1.00 0.00 H new ATOM 1702 N GLN A 109 20.603 -12.298 0.847 1.00 0.00 N ATOM 1703 CA GLN A 109 20.130 -13.262 1.833 1.00 0.00 C ATOM 1704 C GLN A 109 20.693 -12.948 3.215 1.00 0.00 C ATOM 1705 O GLN A 109 19.993 -13.056 4.222 1.00 0.00 O ATOM 1706 CB GLN A 109 20.523 -14.681 1.419 1.00 0.00 C ATOM 1707 CG GLN A 109 19.847 -15.764 2.244 1.00 0.00 C ATOM 1708 CD GLN A 109 18.377 -15.483 2.484 1.00 0.00 C ATOM 1709 OE1 GLN A 109 17.900 -15.532 3.618 1.00 0.00 O ATOM 1710 NE2 GLN A 109 17.648 -15.187 1.414 1.00 0.00 N ATOM 0 H GLN A 109 21.557 -12.458 0.525 1.00 0.00 H new ATOM 0 HA GLN A 109 19.043 -13.193 1.880 1.00 0.00 H new ATOM 0 HB2 GLN A 109 20.272 -14.827 0.368 1.00 0.00 H new ATOM 0 HB3 GLN A 109 21.604 -14.790 1.507 1.00 0.00 H new ATOM 0 HG2 GLN A 109 19.951 -16.722 1.734 1.00 0.00 H new ATOM 0 HG3 GLN A 109 20.357 -15.856 3.203 1.00 0.00 H new ATOM 0 HE21 GLN A 109 18.084 -15.157 0.492 1.00 0.00 H new ATOM 0 HE22 GLN A 109 16.652 -14.989 1.514 1.00 0.00 H new ATOM 1719 N THR A 110 21.963 -12.558 3.256 1.00 0.00 N ATOM 1720 CA THR A 110 22.621 -12.229 4.514 1.00 0.00 C ATOM 1721 C THR A 110 22.186 -10.859 5.022 1.00 0.00 C ATOM 1722 O THR A 110 22.065 -9.910 4.247 1.00 0.00 O ATOM 1723 CB THR A 110 24.155 -12.246 4.367 1.00 0.00 C ATOM 1724 OG1 THR A 110 24.563 -11.290 3.382 1.00 0.00 O ATOM 1725 CG2 THR A 110 24.646 -13.630 3.972 1.00 0.00 C ATOM 0 H THR A 110 22.557 -12.462 2.432 1.00 0.00 H new ATOM 0 HA THR A 110 22.323 -12.991 5.234 1.00 0.00 H new ATOM 0 HB THR A 110 24.593 -11.984 5.330 1.00 0.00 H new ATOM 0 HG1 THR A 110 25.539 -11.306 3.296 1.00 0.00 H new ATOM 0 HG21 THR A 110 25.732 -13.617 3.874 1.00 0.00 H new ATOM 0 HG22 THR A 110 24.359 -14.350 4.738 1.00 0.00 H new ATOM 0 HG23 THR A 110 24.200 -13.916 3.020 1.00 0.00 H new ATOM 1733 N ASP A 111 21.951 -10.764 6.326 1.00 0.00 N ATOM 1734 CA ASP A 111 21.530 -9.508 6.937 1.00 0.00 C ATOM 1735 C ASP A 111 22.510 -8.387 6.605 1.00 0.00 C ATOM 1736 O ASP A 111 22.104 -7.276 6.268 1.00 0.00 O ATOM 1737 CB ASP A 111 21.414 -9.669 8.453 1.00 0.00 C ATOM 1738 CG ASP A 111 20.841 -8.435 9.124 1.00 0.00 C ATOM 1739 OD1 ASP A 111 21.164 -7.314 8.679 1.00 0.00 O ATOM 1740 OD2 ASP A 111 20.069 -8.592 10.093 1.00 0.00 O ATOM 0 H ASP A 111 22.045 -11.541 6.980 1.00 0.00 H new ATOM 0 HA ASP A 111 20.553 -9.244 6.531 1.00 0.00 H new ATOM 0 HB2 ASP A 111 20.781 -10.528 8.677 1.00 0.00 H new ATOM 0 HB3 ASP A 111 22.399 -9.881 8.869 1.00 0.00 H new ATOM 1745 N GLN A 112 23.801 -8.687 6.705 1.00 0.00 N ATOM 1746 CA GLN A 112 24.838 -7.704 6.417 1.00 0.00 C ATOM 1747 C GLN A 112 24.510 -6.922 5.149 1.00 0.00 C ATOM 1748 O GLN A 112 24.552 -5.692 5.138 1.00 0.00 O ATOM 1749 CB GLN A 112 26.196 -8.391 6.270 1.00 0.00 C ATOM 1750 CG GLN A 112 27.370 -7.426 6.269 1.00 0.00 C ATOM 1751 CD GLN A 112 27.407 -6.550 7.506 1.00 0.00 C ATOM 1752 OE1 GLN A 112 26.758 -5.505 7.559 1.00 0.00 O ATOM 1753 NE2 GLN A 112 28.167 -6.972 8.508 1.00 0.00 N ATOM 0 H GLN A 112 24.153 -9.603 6.983 1.00 0.00 H new ATOM 0 HA GLN A 112 24.882 -7.005 7.252 1.00 0.00 H new ATOM 0 HB2 GLN A 112 26.323 -9.104 7.085 1.00 0.00 H new ATOM 0 HB3 GLN A 112 26.206 -8.963 5.342 1.00 0.00 H new ATOM 0 HG2 GLN A 112 28.300 -7.991 6.201 1.00 0.00 H new ATOM 0 HG3 GLN A 112 27.315 -6.794 5.383 1.00 0.00 H new ATOM 0 HE21 GLN A 112 28.688 -7.845 8.421 1.00 0.00 H new ATOM 0 HE22 GLN A 112 28.230 -6.424 9.366 1.00 0.00 H new ATOM 1762 N ALA A 113 24.185 -7.645 4.082 1.00 0.00 N ATOM 1763 CA ALA A 113 23.848 -7.019 2.809 1.00 0.00 C ATOM 1764 C ALA A 113 22.456 -6.399 2.854 1.00 0.00 C ATOM 1765 O ALA A 113 22.293 -5.199 2.631 1.00 0.00 O ATOM 1766 CB ALA A 113 23.940 -8.036 1.681 1.00 0.00 C ATOM 0 H ALA A 113 24.148 -8.664 4.074 1.00 0.00 H new ATOM 0 HA ALA A 113 24.566 -6.220 2.623 1.00 0.00 H new ATOM 0 HB1 ALA A 113 23.686 -7.555 0.736 1.00 0.00 H new ATOM 0 HB2 ALA A 113 24.955 -8.429 1.627 1.00 0.00 H new ATOM 0 HB3 ALA A 113 23.245 -8.854 1.871 1.00 0.00 H new ATOM 1772 N VAL A 114 21.455 -7.224 3.141 1.00 0.00 N ATOM 1773 CA VAL A 114 20.076 -6.756 3.215 1.00 0.00 C ATOM 1774 C VAL A 114 19.994 -5.391 3.889 1.00 0.00 C ATOM 1775 O VAL A 114 19.504 -4.427 3.301 1.00 0.00 O ATOM 1776 CB VAL A 114 19.186 -7.750 3.985 1.00 0.00 C ATOM 1777 CG1 VAL A 114 17.768 -7.214 4.108 1.00 0.00 C ATOM 1778 CG2 VAL A 114 19.193 -9.110 3.302 1.00 0.00 C ATOM 0 H VAL A 114 21.573 -8.220 3.326 1.00 0.00 H new ATOM 0 HA VAL A 114 19.715 -6.674 2.190 1.00 0.00 H new ATOM 0 HB VAL A 114 19.591 -7.870 4.990 1.00 0.00 H new ATOM 0 HG11 VAL A 114 17.155 -7.930 4.655 1.00 0.00 H new ATOM 0 HG12 VAL A 114 17.783 -6.265 4.644 1.00 0.00 H new ATOM 0 HG13 VAL A 114 17.349 -7.062 3.113 1.00 0.00 H new ATOM 0 HG21 VAL A 114 18.559 -9.800 3.859 1.00 0.00 H new ATOM 0 HG22 VAL A 114 18.813 -9.009 2.285 1.00 0.00 H new ATOM 0 HG23 VAL A 114 20.212 -9.497 3.272 1.00 0.00 H new ATOM 1788 N GLU A 115 20.477 -5.317 5.125 1.00 0.00 N ATOM 1789 CA GLU A 115 20.458 -4.069 5.879 1.00 0.00 C ATOM 1790 C GLU A 115 20.818 -2.887 4.984 1.00 0.00 C ATOM 1791 O GLU A 115 20.083 -1.903 4.910 1.00 0.00 O ATOM 1792 CB GLU A 115 21.429 -4.145 7.058 1.00 0.00 C ATOM 1793 CG GLU A 115 21.227 -3.043 8.085 1.00 0.00 C ATOM 1794 CD GLU A 115 22.046 -1.804 7.780 1.00 0.00 C ATOM 1795 OE1 GLU A 115 23.084 -1.931 7.097 1.00 0.00 O ATOM 1796 OE2 GLU A 115 21.648 -0.707 8.224 1.00 0.00 O ATOM 0 H GLU A 115 20.886 -6.106 5.625 1.00 0.00 H new ATOM 0 HA GLU A 115 19.448 -3.919 6.259 1.00 0.00 H new ATOM 0 HB2 GLU A 115 21.317 -5.112 7.548 1.00 0.00 H new ATOM 0 HB3 GLU A 115 22.450 -4.095 6.680 1.00 0.00 H new ATOM 0 HG2 GLU A 115 20.171 -2.776 8.123 1.00 0.00 H new ATOM 0 HG3 GLU A 115 21.496 -3.418 9.072 1.00 0.00 H new ATOM 1803 N PHE A 116 21.956 -2.992 4.305 1.00 0.00 N ATOM 1804 CA PHE A 116 22.416 -1.932 3.416 1.00 0.00 C ATOM 1805 C PHE A 116 21.502 -1.806 2.201 1.00 0.00 C ATOM 1806 O PHE A 116 20.927 -0.747 1.950 1.00 0.00 O ATOM 1807 CB PHE A 116 23.852 -2.206 2.961 1.00 0.00 C ATOM 1808 CG PHE A 116 24.889 -1.782 3.962 1.00 0.00 C ATOM 1809 CD1 PHE A 116 24.944 -0.471 4.409 1.00 0.00 C ATOM 1810 CD2 PHE A 116 25.808 -2.693 4.455 1.00 0.00 C ATOM 1811 CE1 PHE A 116 25.897 -0.078 5.328 1.00 0.00 C ATOM 1812 CE2 PHE A 116 26.764 -2.306 5.376 1.00 0.00 C ATOM 1813 CZ PHE A 116 26.808 -0.997 5.813 1.00 0.00 C ATOM 0 H PHE A 116 22.576 -3.800 4.354 1.00 0.00 H new ATOM 0 HA PHE A 116 22.389 -0.992 3.968 1.00 0.00 H new ATOM 0 HB2 PHE A 116 23.965 -3.272 2.762 1.00 0.00 H new ATOM 0 HB3 PHE A 116 24.032 -1.686 2.020 1.00 0.00 H new ATOM 0 HD1 PHE A 116 24.234 0.251 4.034 1.00 0.00 H new ATOM 0 HD2 PHE A 116 25.778 -3.718 4.116 1.00 0.00 H new ATOM 0 HE1 PHE A 116 25.930 0.947 5.667 1.00 0.00 H new ATOM 0 HE2 PHE A 116 27.475 -3.026 5.753 1.00 0.00 H new ATOM 0 HZ PHE A 116 27.553 -0.692 6.533 1.00 0.00 H new ATOM 1823 N PHE A 117 21.373 -2.894 1.450 1.00 0.00 N ATOM 1824 CA PHE A 117 20.529 -2.906 0.260 1.00 0.00 C ATOM 1825 C PHE A 117 19.275 -2.063 0.474 1.00 0.00 C ATOM 1826 O PHE A 117 18.938 -1.213 -0.351 1.00 0.00 O ATOM 1827 CB PHE A 117 20.138 -4.341 -0.100 1.00 0.00 C ATOM 1828 CG PHE A 117 18.972 -4.426 -1.042 1.00 0.00 C ATOM 1829 CD1 PHE A 117 19.014 -3.798 -2.277 1.00 0.00 C ATOM 1830 CD2 PHE A 117 17.833 -5.134 -0.694 1.00 0.00 C ATOM 1831 CE1 PHE A 117 17.942 -3.875 -3.145 1.00 0.00 C ATOM 1832 CE2 PHE A 117 16.758 -5.214 -1.559 1.00 0.00 C ATOM 1833 CZ PHE A 117 16.813 -4.584 -2.786 1.00 0.00 C ATOM 0 H PHE A 117 21.842 -3.779 1.644 1.00 0.00 H new ATOM 0 HA PHE A 117 21.099 -2.475 -0.563 1.00 0.00 H new ATOM 0 HB2 PHE A 117 20.996 -4.841 -0.550 1.00 0.00 H new ATOM 0 HB3 PHE A 117 19.897 -4.884 0.814 1.00 0.00 H new ATOM 0 HD1 PHE A 117 19.895 -3.242 -2.564 1.00 0.00 H new ATOM 0 HD2 PHE A 117 17.785 -5.629 0.265 1.00 0.00 H new ATOM 0 HE1 PHE A 117 17.987 -3.381 -4.104 1.00 0.00 H new ATOM 0 HE2 PHE A 117 15.876 -5.769 -1.275 1.00 0.00 H new ATOM 0 HZ PHE A 117 15.974 -4.646 -3.464 1.00 0.00 H new ATOM 1843 N ILE A 118 18.589 -2.307 1.585 1.00 0.00 N ATOM 1844 CA ILE A 118 17.373 -1.571 1.907 1.00 0.00 C ATOM 1845 C ILE A 118 17.671 -0.096 2.151 1.00 0.00 C ATOM 1846 O ILE A 118 16.921 0.780 1.721 1.00 0.00 O ATOM 1847 CB ILE A 118 16.674 -2.154 3.150 1.00 0.00 C ATOM 1848 CG1 ILE A 118 16.243 -3.599 2.888 1.00 0.00 C ATOM 1849 CG2 ILE A 118 15.476 -1.299 3.535 1.00 0.00 C ATOM 1850 CD1 ILE A 118 15.743 -4.313 4.124 1.00 0.00 C ATOM 0 H ILE A 118 18.854 -3.008 2.277 1.00 0.00 H new ATOM 0 HA ILE A 118 16.709 -1.668 1.048 1.00 0.00 H new ATOM 0 HB ILE A 118 17.379 -2.150 3.981 1.00 0.00 H new ATOM 0 HG12 ILE A 118 15.457 -3.604 2.132 1.00 0.00 H new ATOM 0 HG13 ILE A 118 17.086 -4.152 2.475 1.00 0.00 H new ATOM 0 HG21 ILE A 118 14.993 -1.724 4.415 1.00 0.00 H new ATOM 0 HG22 ILE A 118 15.809 -0.285 3.758 1.00 0.00 H new ATOM 0 HG23 ILE A 118 14.766 -1.274 2.708 1.00 0.00 H new ATOM 0 HD11 ILE A 118 15.455 -5.332 3.864 1.00 0.00 H new ATOM 0 HD12 ILE A 118 16.534 -4.340 4.874 1.00 0.00 H new ATOM 0 HD13 ILE A 118 14.879 -3.783 4.526 1.00 0.00 H new ATOM 1862 N ARG A 119 18.774 0.172 2.844 1.00 0.00 N ATOM 1863 CA ARG A 119 19.173 1.542 3.145 1.00 0.00 C ATOM 1864 C ARG A 119 19.525 2.299 1.868 1.00 0.00 C ATOM 1865 O ARG A 119 18.919 3.324 1.555 1.00 0.00 O ATOM 1866 CB ARG A 119 20.368 1.549 4.100 1.00 0.00 C ATOM 1867 CG ARG A 119 19.974 1.590 5.568 1.00 0.00 C ATOM 1868 CD ARG A 119 21.195 1.565 6.473 1.00 0.00 C ATOM 1869 NE ARG A 119 21.801 2.886 6.612 1.00 0.00 N ATOM 1870 CZ ARG A 119 22.701 3.376 5.767 1.00 0.00 C ATOM 1871 NH1 ARG A 119 23.097 2.656 4.726 1.00 0.00 N ATOM 1872 NH2 ARG A 119 23.205 4.587 5.961 1.00 0.00 N ATOM 0 H ARG A 119 19.406 -0.541 3.207 1.00 0.00 H new ATOM 0 HA ARG A 119 18.331 2.042 3.623 1.00 0.00 H new ATOM 0 HB2 ARG A 119 20.972 0.660 3.919 1.00 0.00 H new ATOM 0 HB3 ARG A 119 20.996 2.412 3.877 1.00 0.00 H new ATOM 0 HG2 ARG A 119 19.392 2.491 5.765 1.00 0.00 H new ATOM 0 HG3 ARG A 119 19.332 0.739 5.798 1.00 0.00 H new ATOM 0 HD2 ARG A 119 20.909 1.192 7.457 1.00 0.00 H new ATOM 0 HD3 ARG A 119 21.931 0.869 6.070 1.00 0.00 H new ATOM 0 HE ARG A 119 21.517 3.465 7.402 1.00 0.00 H new ATOM 0 HH11 ARG A 119 22.710 1.725 4.573 1.00 0.00 H new ATOM 0 HH12 ARG A 119 23.788 3.034 4.078 1.00 0.00 H new ATOM 0 HH21 ARG A 119 22.902 5.144 6.760 1.00 0.00 H new ATOM 0 HH22 ARG A 119 23.896 4.962 5.311 1.00 0.00 H new ATOM 1886 N ASP A 120 20.507 1.788 1.134 1.00 0.00 N ATOM 1887 CA ASP A 120 20.940 2.415 -0.109 1.00 0.00 C ATOM 1888 C ASP A 120 19.823 2.388 -1.148 1.00 0.00 C ATOM 1889 O ASP A 120 19.853 3.134 -2.127 1.00 0.00 O ATOM 1890 CB ASP A 120 22.180 1.707 -0.657 1.00 0.00 C ATOM 1891 CG ASP A 120 23.306 1.644 0.356 1.00 0.00 C ATOM 1892 OD1 ASP A 120 23.349 0.669 1.135 1.00 0.00 O ATOM 1893 OD2 ASP A 120 24.144 2.569 0.369 1.00 0.00 O ATOM 0 H ASP A 120 21.019 0.940 1.379 1.00 0.00 H new ATOM 0 HA ASP A 120 21.189 3.455 0.104 1.00 0.00 H new ATOM 0 HB2 ASP A 120 21.912 0.695 -0.962 1.00 0.00 H new ATOM 0 HB3 ASP A 120 22.527 2.227 -1.550 1.00 0.00 H new ATOM 1898 N LYS A 121 18.838 1.523 -0.929 1.00 0.00 N ATOM 1899 CA LYS A 121 17.711 1.399 -1.845 1.00 0.00 C ATOM 1900 C LYS A 121 16.629 2.423 -1.519 1.00 0.00 C ATOM 1901 O LYS A 121 16.083 3.070 -2.413 1.00 0.00 O ATOM 1902 CB LYS A 121 17.127 -0.014 -1.778 1.00 0.00 C ATOM 1903 CG LYS A 121 15.825 -0.171 -2.544 1.00 0.00 C ATOM 1904 CD LYS A 121 15.005 -1.337 -2.018 1.00 0.00 C ATOM 1905 CE LYS A 121 13.724 -1.523 -2.817 1.00 0.00 C ATOM 1906 NZ LYS A 121 13.164 -2.894 -2.655 1.00 0.00 N ATOM 0 H LYS A 121 18.798 0.897 -0.124 1.00 0.00 H new ATOM 0 HA LYS A 121 18.073 1.589 -2.855 1.00 0.00 H new ATOM 0 HB2 LYS A 121 17.858 -0.719 -2.173 1.00 0.00 H new ATOM 0 HB3 LYS A 121 16.959 -0.280 -0.734 1.00 0.00 H new ATOM 0 HG2 LYS A 121 15.244 0.748 -2.467 1.00 0.00 H new ATOM 0 HG3 LYS A 121 16.040 -0.324 -3.601 1.00 0.00 H new ATOM 0 HD2 LYS A 121 15.599 -2.250 -2.063 1.00 0.00 H new ATOM 0 HD3 LYS A 121 14.760 -1.167 -0.970 1.00 0.00 H new ATOM 0 HE2 LYS A 121 12.985 -0.789 -2.496 1.00 0.00 H new ATOM 0 HE3 LYS A 121 13.923 -1.334 -3.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 12.212 -2.932 -3.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 13.780 -3.580 -3.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 13.108 -3.129 -1.643 1.00 0.00 H new ATOM 1920 N TYR A 122 16.325 2.566 -0.234 1.00 0.00 N ATOM 1921 CA TYR A 122 15.307 3.512 0.210 1.00 0.00 C ATOM 1922 C TYR A 122 15.946 4.796 0.731 1.00 0.00 C ATOM 1923 O TYR A 122 15.608 5.893 0.290 1.00 0.00 O ATOM 1924 CB TYR A 122 14.437 2.883 1.300 1.00 0.00 C ATOM 1925 CG TYR A 122 13.472 1.843 0.779 1.00 0.00 C ATOM 1926 CD1 TYR A 122 12.234 2.210 0.266 1.00 0.00 C ATOM 1927 CD2 TYR A 122 13.798 0.492 0.799 1.00 0.00 C ATOM 1928 CE1 TYR A 122 11.349 1.263 -0.210 1.00 0.00 C ATOM 1929 CE2 TYR A 122 12.919 -0.462 0.324 1.00 0.00 C ATOM 1930 CZ TYR A 122 11.696 -0.072 -0.179 1.00 0.00 C ATOM 1931 OH TYR A 122 10.817 -1.018 -0.654 1.00 0.00 O ATOM 0 H TYR A 122 16.768 2.039 0.519 1.00 0.00 H new ATOM 0 HA TYR A 122 14.681 3.761 -0.647 1.00 0.00 H new ATOM 0 HB2 TYR A 122 15.083 2.425 2.049 1.00 0.00 H new ATOM 0 HB3 TYR A 122 13.874 3.669 1.803 1.00 0.00 H new ATOM 0 HD1 TYR A 122 11.959 3.254 0.239 1.00 0.00 H new ATOM 0 HD2 TYR A 122 14.755 0.183 1.193 1.00 0.00 H new ATOM 0 HE1 TYR A 122 10.390 1.566 -0.604 1.00 0.00 H new ATOM 0 HE2 TYR A 122 13.188 -1.508 0.347 1.00 0.00 H new ATOM 0 HH TYR A 122 11.214 -1.909 -0.562 1.00 0.00 H new ATOM 1941 N GLU A 123 16.873 4.648 1.673 1.00 0.00 N ATOM 1942 CA GLU A 123 17.560 5.795 2.254 1.00 0.00 C ATOM 1943 C GLU A 123 18.266 6.610 1.175 1.00 0.00 C ATOM 1944 O GLU A 123 17.967 7.788 0.975 1.00 0.00 O ATOM 1945 CB GLU A 123 18.572 5.332 3.304 1.00 0.00 C ATOM 1946 CG GLU A 123 18.923 6.402 4.325 1.00 0.00 C ATOM 1947 CD GLU A 123 20.266 6.161 4.986 1.00 0.00 C ATOM 1948 OE1 GLU A 123 21.290 6.601 4.423 1.00 0.00 O ATOM 1949 OE2 GLU A 123 20.293 5.532 6.064 1.00 0.00 O ATOM 0 H GLU A 123 17.165 3.746 2.049 1.00 0.00 H new ATOM 0 HA GLU A 123 16.814 6.429 2.733 1.00 0.00 H new ATOM 0 HB2 GLU A 123 18.171 4.463 3.825 1.00 0.00 H new ATOM 0 HB3 GLU A 123 19.483 5.009 2.801 1.00 0.00 H new ATOM 0 HG2 GLU A 123 18.933 7.376 3.836 1.00 0.00 H new ATOM 0 HG3 GLU A 123 18.147 6.437 5.090 1.00 0.00 H new ATOM 1956 N LYS A 124 19.206 5.976 0.483 1.00 0.00 N ATOM 1957 CA LYS A 124 19.956 6.640 -0.576 1.00 0.00 C ATOM 1958 C LYS A 124 19.112 6.773 -1.840 1.00 0.00 C ATOM 1959 O LYS A 124 19.422 7.570 -2.726 1.00 0.00 O ATOM 1960 CB LYS A 124 21.238 5.864 -0.886 1.00 0.00 C ATOM 1961 CG LYS A 124 22.149 5.689 0.318 1.00 0.00 C ATOM 1962 CD LYS A 124 22.966 6.941 0.585 1.00 0.00 C ATOM 1963 CE LYS A 124 24.026 7.154 -0.484 1.00 0.00 C ATOM 1964 NZ LYS A 124 25.026 8.181 -0.078 1.00 0.00 N ATOM 0 H LYS A 124 19.467 5.002 0.637 1.00 0.00 H new ATOM 0 HA LYS A 124 20.218 7.639 -0.228 1.00 0.00 H new ATOM 0 HB2 LYS A 124 20.973 4.881 -1.276 1.00 0.00 H new ATOM 0 HB3 LYS A 124 21.785 6.383 -1.673 1.00 0.00 H new ATOM 0 HG2 LYS A 124 21.550 5.450 1.197 1.00 0.00 H new ATOM 0 HG3 LYS A 124 22.819 4.846 0.149 1.00 0.00 H new ATOM 0 HD2 LYS A 124 22.305 7.807 0.621 1.00 0.00 H new ATOM 0 HD3 LYS A 124 23.443 6.864 1.562 1.00 0.00 H new ATOM 0 HE2 LYS A 124 24.535 6.211 -0.684 1.00 0.00 H new ATOM 0 HE3 LYS A 124 23.547 7.461 -1.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 25.731 8.297 -0.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 24.545 9.088 0.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 25.501 7.876 0.795 1.00 0.00 H new ATOM 1978 N LYS A 125 18.043 5.988 -1.916 1.00 0.00 N ATOM 1979 CA LYS A 125 17.152 6.018 -3.070 1.00 0.00 C ATOM 1980 C LYS A 125 17.915 5.714 -4.355 1.00 0.00 C ATOM 1981 O LYS A 125 17.533 6.162 -5.437 1.00 0.00 O ATOM 1982 CB LYS A 125 16.472 7.385 -3.179 1.00 0.00 C ATOM 1983 CG LYS A 125 15.491 7.668 -2.055 1.00 0.00 C ATOM 1984 CD LYS A 125 14.292 6.737 -2.114 1.00 0.00 C ATOM 1985 CE LYS A 125 13.083 7.339 -1.414 1.00 0.00 C ATOM 1986 NZ LYS A 125 13.033 6.966 0.027 1.00 0.00 N ATOM 0 H LYS A 125 17.772 5.323 -1.192 1.00 0.00 H new ATOM 0 HA LYS A 125 16.391 5.250 -2.930 1.00 0.00 H new ATOM 0 HB2 LYS A 125 17.236 8.162 -3.187 1.00 0.00 H new ATOM 0 HB3 LYS A 125 15.947 7.445 -4.132 1.00 0.00 H new ATOM 0 HG2 LYS A 125 15.994 7.555 -1.095 1.00 0.00 H new ATOM 0 HG3 LYS A 125 15.153 8.702 -2.118 1.00 0.00 H new ATOM 0 HD2 LYS A 125 14.044 6.527 -3.154 1.00 0.00 H new ATOM 0 HD3 LYS A 125 14.546 5.785 -1.649 1.00 0.00 H new ATOM 0 HE2 LYS A 125 13.113 8.425 -1.507 1.00 0.00 H new ATOM 0 HE3 LYS A 125 12.172 7.002 -1.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 12.265 6.282 0.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 13.939 6.539 0.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 12.859 7.816 0.600 1.00 0.00 H new ATOM 2000 N LYS A 126 18.994 4.949 -4.230 1.00 0.00 N ATOM 2001 CA LYS A 126 19.809 4.582 -5.382 1.00 0.00 C ATOM 2002 C LYS A 126 18.937 4.084 -6.530 1.00 0.00 C ATOM 2003 O LYS A 126 18.850 4.723 -7.579 1.00 0.00 O ATOM 2004 CB LYS A 126 20.823 3.504 -4.992 1.00 0.00 C ATOM 2005 CG LYS A 126 22.125 4.062 -4.445 1.00 0.00 C ATOM 2006 CD LYS A 126 23.057 2.954 -3.983 1.00 0.00 C ATOM 2007 CE LYS A 126 23.903 2.423 -5.130 1.00 0.00 C ATOM 2008 NZ LYS A 126 25.129 3.242 -5.340 1.00 0.00 N ATOM 0 H LYS A 126 19.325 4.571 -3.342 1.00 0.00 H new ATOM 0 HA LYS A 126 20.343 5.471 -5.716 1.00 0.00 H new ATOM 0 HB2 LYS A 126 20.375 2.850 -4.244 1.00 0.00 H new ATOM 0 HB3 LYS A 126 21.040 2.888 -5.865 1.00 0.00 H new ATOM 0 HG2 LYS A 126 22.618 4.657 -5.214 1.00 0.00 H new ATOM 0 HG3 LYS A 126 21.913 4.731 -3.611 1.00 0.00 H new ATOM 0 HD2 LYS A 126 23.708 3.330 -3.193 1.00 0.00 H new ATOM 0 HD3 LYS A 126 22.472 2.140 -3.554 1.00 0.00 H new ATOM 0 HE2 LYS A 126 24.187 1.391 -4.925 1.00 0.00 H new ATOM 0 HE3 LYS A 126 23.311 2.415 -6.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 25.679 2.848 -6.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 24.858 4.222 -5.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 25.707 3.229 -4.476 1.00 0.00 H new ATOM 2022 N TYR A 127 18.292 2.941 -6.324 1.00 0.00 N ATOM 2023 CA TYR A 127 17.428 2.357 -7.342 1.00 0.00 C ATOM 2024 C TYR A 127 16.037 2.983 -7.300 1.00 0.00 C ATOM 2025 O TYR A 127 15.030 2.302 -7.495 1.00 0.00 O ATOM 2026 CB TYR A 127 17.323 0.843 -7.146 1.00 0.00 C ATOM 2027 CG TYR A 127 18.604 0.207 -6.654 1.00 0.00 C ATOM 2028 CD1 TYR A 127 18.907 0.166 -5.299 1.00 0.00 C ATOM 2029 CD2 TYR A 127 19.512 -0.352 -7.545 1.00 0.00 C ATOM 2030 CE1 TYR A 127 20.076 -0.413 -4.845 1.00 0.00 C ATOM 2031 CE2 TYR A 127 20.682 -0.935 -7.100 1.00 0.00 C ATOM 2032 CZ TYR A 127 20.960 -0.963 -5.750 1.00 0.00 C ATOM 2033 OH TYR A 127 22.126 -1.542 -5.303 1.00 0.00 O ATOM 0 H TYR A 127 18.351 2.401 -5.461 1.00 0.00 H new ATOM 0 HA TYR A 127 17.870 2.561 -8.317 1.00 0.00 H new ATOM 0 HB2 TYR A 127 16.525 0.631 -6.434 1.00 0.00 H new ATOM 0 HB3 TYR A 127 17.037 0.381 -8.091 1.00 0.00 H new ATOM 0 HD1 TYR A 127 18.216 0.594 -4.588 1.00 0.00 H new ATOM 0 HD2 TYR A 127 19.299 -0.330 -8.604 1.00 0.00 H new ATOM 0 HE1 TYR A 127 20.297 -0.435 -3.788 1.00 0.00 H new ATOM 0 HE2 TYR A 127 21.376 -1.367 -7.806 1.00 0.00 H new ATOM 0 HH TYR A 127 22.636 -1.882 -6.067 1.00 0.00 H new ATOM 2043 N TYR A 128 15.990 4.286 -7.045 1.00 0.00 N ATOM 2044 CA TYR A 128 14.724 5.006 -6.976 1.00 0.00 C ATOM 2045 C TYR A 128 14.413 5.691 -8.303 1.00 0.00 C ATOM 2046 O TYR A 128 15.190 6.515 -8.786 1.00 0.00 O ATOM 2047 CB TYR A 128 14.763 6.042 -5.851 1.00 0.00 C ATOM 2048 CG TYR A 128 13.401 6.579 -5.475 1.00 0.00 C ATOM 2049 CD1 TYR A 128 12.485 5.789 -4.792 1.00 0.00 C ATOM 2050 CD2 TYR A 128 13.030 7.878 -5.802 1.00 0.00 C ATOM 2051 CE1 TYR A 128 11.239 6.276 -4.447 1.00 0.00 C ATOM 2052 CE2 TYR A 128 11.787 8.374 -5.460 1.00 0.00 C ATOM 2053 CZ TYR A 128 10.895 7.569 -4.783 1.00 0.00 C ATOM 2054 OH TYR A 128 9.655 8.058 -4.440 1.00 0.00 O ATOM 0 H TYR A 128 16.814 4.865 -6.883 1.00 0.00 H new ATOM 0 HA TYR A 128 13.935 4.283 -6.768 1.00 0.00 H new ATOM 0 HB2 TYR A 128 15.223 5.593 -4.971 1.00 0.00 H new ATOM 0 HB3 TYR A 128 15.400 6.872 -6.155 1.00 0.00 H new ATOM 0 HD1 TYR A 128 12.751 4.777 -4.526 1.00 0.00 H new ATOM 0 HD2 TYR A 128 13.726 8.511 -6.333 1.00 0.00 H new ATOM 0 HE1 TYR A 128 10.538 5.648 -3.917 1.00 0.00 H new ATOM 0 HE2 TYR A 128 11.515 9.386 -5.721 1.00 0.00 H new ATOM 0 HH TYR A 128 9.572 8.984 -4.749 1.00 0.00 H new ATOM 2064 N ASP A 129 13.272 5.344 -8.887 1.00 0.00 N ATOM 2065 CA ASP A 129 12.856 5.926 -10.158 1.00 0.00 C ATOM 2066 C ASP A 129 11.950 7.132 -9.933 1.00 0.00 C ATOM 2067 O ASP A 129 10.807 7.158 -10.389 1.00 0.00 O ATOM 2068 CB ASP A 129 12.132 4.881 -11.009 1.00 0.00 C ATOM 2069 CG ASP A 129 12.245 5.164 -12.494 1.00 0.00 C ATOM 2070 OD1 ASP A 129 13.219 5.835 -12.898 1.00 0.00 O ATOM 2071 OD2 ASP A 129 11.361 4.715 -13.253 1.00 0.00 O ATOM 0 H ASP A 129 12.618 4.663 -8.501 1.00 0.00 H new ATOM 0 HA ASP A 129 13.749 6.259 -10.687 1.00 0.00 H new ATOM 0 HB2 ASP A 129 12.545 3.895 -10.798 1.00 0.00 H new ATOM 0 HB3 ASP A 129 11.080 4.853 -10.727 1.00 0.00 H new