USER MOD reduce.3.24.130724 H: found=0, std=0, add=892, rem=0, adj=27 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+ 152:sc= 0.304 (180deg=0.0396) USER MOD Set 1.2: A 122 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 83 GLN : amide:sc= -0.932 K(o=-8.4,f=-11!) USER MOD Set 2.2: A 86 GLN :FLIP amide:sc= -7.43! C(o=-9!,f=-8.4!) USER MOD Set 3.1: A 70 LYS NZ :NH3+ 167:sc= 0.718 (180deg=0.893) USER MOD Set 3.2: A 78 THR OG1 : rot 180:sc= 0 USER MOD Set 3.3: A 81 GLN : amide:sc= -0.0543 K(o=0.66,f=-5.3!) USER MOD Set 4.1: A 44 SER OG : rot 152:sc= 0.408 USER MOD Set 4.2: A 59 HIS : no HD1:sc= -0.408 K(o=1.2,f=-4.2) USER MOD Set 4.3: A 67 SER OG : rot 172:sc= 1.22 USER MOD Set 5.1: A 32 CYS SG : rot 164:sc= -1.09 USER MOD Set 5.2: A 35 CYS SG : rot -45:sc= -3.2! USER MOD Set 5.3: A 52 CYS SG : rot -147:sc= 1.94 USER MOD Set 5.4: A 55 CYS SG : rot 88:sc= -1.18 USER MOD Single : A 16 HIS : no HD1:sc= -0.427 X(o=-0.43,f=-0.32) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) 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= -2.62 K(o=-2.6,f=-6.8!) 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 :FLIP amide:sc= -0.405 F(o=-1.8,f=-0.41) USER MOD Single : A 61 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 65 HIS : no HD1:sc= -2.27! C(o=-2.3!,f=-4!) USER MOD Single : A 71 SER OG : rot -90:sc= -0.663 USER MOD Single : A 73 ASN :FLIP amide:sc= -0.249 F(o=-1.9!,f=-0.25) USER MOD Single : A 76 GLN : amide:sc= -0.698 K(o=-0.7,f=-2.9!) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -138:sc= -4.38! (180deg=-5.19!) USER MOD Single : A 88 MET CE :methyl 168:sc= -0.422 (180deg=-0.611) USER MOD Single : A 90 ASN : amide:sc= -0.178 K(o=-0.18,f=-8.5!) 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= -0.446 F(o=-2.7,f=-0.45) USER MOD Single : A 109 GLN :FLIP amide:sc= -1.78 F(o=-5.6,f=-1.8) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ 149:sc= 1.2 (180deg=-0.507) 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 -10.901 -2.432 7.800 1.00 0.00 N ATOM 203 CA HIS A 16 -9.491 -2.264 7.469 1.00 0.00 C ATOM 204 C HIS A 16 -8.706 -3.537 7.772 1.00 0.00 C ATOM 205 O HIS A 16 -8.119 -4.142 6.876 1.00 0.00 O ATOM 206 CB HIS A 16 -8.900 -1.089 8.249 1.00 0.00 C ATOM 207 CG HIS A 16 -9.734 0.153 8.185 1.00 0.00 C ATOM 208 ND1 HIS A 16 -9.764 1.093 9.193 1.00 0.00 N ATOM 209 CD2 HIS A 16 -10.572 0.608 7.224 1.00 0.00 C ATOM 210 CE1 HIS A 16 -10.585 2.071 8.856 1.00 0.00 C ATOM 211 NE2 HIS A 16 -11.088 1.801 7.665 1.00 0.00 N ATOM 0 HA HIS A 16 -9.416 -2.057 6.401 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -8.777 -1.381 9.292 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -7.906 -0.869 7.861 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -10.793 0.123 6.285 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -10.807 2.943 9.453 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -11.752 2.384 7.156 1.00 0.00 H new ATOM 219 N GLN A 17 -8.701 -3.935 9.040 1.00 0.00 N ATOM 220 CA GLN A 17 -7.987 -5.135 9.460 1.00 0.00 C ATOM 221 C GLN A 17 -7.985 -6.183 8.353 1.00 0.00 C ATOM 222 O GLN A 17 -6.927 -6.650 7.927 1.00 0.00 O ATOM 223 CB GLN A 17 -8.620 -5.715 10.726 1.00 0.00 C ATOM 224 CG GLN A 17 -8.182 -5.014 12.002 1.00 0.00 C ATOM 225 CD GLN A 17 -6.825 -5.484 12.489 1.00 0.00 C ATOM 226 OE1 GLN A 17 -6.666 -6.631 12.908 1.00 0.00 O ATOM 227 NE2 GLN A 17 -5.837 -4.598 12.436 1.00 0.00 N ATOM 0 H GLN A 17 -9.183 -3.445 9.794 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.955 -4.856 9.673 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.705 -5.652 10.641 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -8.366 -6.773 10.797 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -8.149 -3.938 11.828 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.924 -5.189 12.781 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.013 -3.658 12.081 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.902 -4.858 12.750 1.00 0.00 H new ATOM 236 N LEU A 18 -9.175 -6.550 7.890 1.00 0.00 N ATOM 237 CA LEU A 18 -9.311 -7.544 6.831 1.00 0.00 C ATOM 238 C LEU A 18 -8.533 -7.126 5.588 1.00 0.00 C ATOM 239 O LEU A 18 -7.577 -7.792 5.188 1.00 0.00 O ATOM 240 CB LEU A 18 -10.786 -7.745 6.480 1.00 0.00 C ATOM 241 CG LEU A 18 -11.141 -9.071 5.806 1.00 0.00 C ATOM 242 CD1 LEU A 18 -12.619 -9.383 5.988 1.00 0.00 C ATOM 243 CD2 LEU A 18 -10.781 -9.031 4.328 1.00 0.00 C ATOM 0 H LEU A 18 -10.060 -6.174 8.231 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.899 -8.485 7.195 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.372 -7.657 7.395 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.097 -6.932 5.824 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.562 -9.864 6.279 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -12.853 -10.330 5.502 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -12.848 -9.455 7.051 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -13.216 -8.588 5.541 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.040 -9.983 3.864 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -11.333 -8.227 3.841 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.711 -8.854 4.219 1.00 0.00 H new ATOM 255 N ILE A 19 -8.947 -6.018 4.982 1.00 0.00 N ATOM 256 CA ILE A 19 -8.286 -5.509 3.787 1.00 0.00 C ATOM 257 C ILE A 19 -6.790 -5.805 3.817 1.00 0.00 C ATOM 258 O ILE A 19 -6.278 -6.559 2.989 1.00 0.00 O ATOM 259 CB ILE A 19 -8.495 -3.991 3.631 1.00 0.00 C ATOM 260 CG1 ILE A 19 -9.984 -3.672 3.483 1.00 0.00 C ATOM 261 CG2 ILE A 19 -7.715 -3.469 2.433 1.00 0.00 C ATOM 262 CD1 ILE A 19 -10.310 -2.207 3.674 1.00 0.00 C ATOM 0 H ILE A 19 -9.737 -5.456 5.299 1.00 0.00 H new ATOM 0 HA ILE A 19 -8.737 -6.019 2.936 1.00 0.00 H new ATOM 0 HB ILE A 19 -8.123 -3.494 4.527 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -10.318 -3.984 2.493 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -10.547 -4.259 4.209 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -7.873 -2.395 2.336 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.653 -3.668 2.576 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -8.060 -3.970 1.528 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.383 -2.054 3.555 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -10.008 -1.894 4.673 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -9.775 -1.615 2.931 1.00 0.00 H new ATOM 274 N LEU A 20 -6.095 -5.207 4.778 1.00 0.00 N ATOM 275 CA LEU A 20 -4.656 -5.407 4.919 1.00 0.00 C ATOM 276 C LEU A 20 -4.263 -6.828 4.526 1.00 0.00 C ATOM 277 O LEU A 20 -3.433 -7.030 3.640 1.00 0.00 O ATOM 278 CB LEU A 20 -4.221 -5.125 6.358 1.00 0.00 C ATOM 279 CG LEU A 20 -4.108 -3.650 6.748 1.00 0.00 C ATOM 280 CD1 LEU A 20 -4.126 -3.496 8.261 1.00 0.00 C ATOM 281 CD2 LEU A 20 -2.844 -3.039 6.162 1.00 0.00 C ATOM 0 H LEU A 20 -6.504 -4.580 5.471 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.150 -4.711 4.250 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.931 -5.605 7.032 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.254 -5.599 6.524 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.967 -3.118 6.339 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.045 -2.440 8.520 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.060 -3.896 8.656 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.286 -4.041 8.692 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.780 -1.990 6.450 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.972 -3.573 6.541 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.873 -3.116 5.075 1.00 0.00 H new ATOM 293 N SER A 21 -4.867 -7.808 5.190 1.00 0.00 N ATOM 294 CA SER A 21 -4.579 -9.210 4.911 1.00 0.00 C ATOM 295 C SER A 21 -4.952 -9.567 3.475 1.00 0.00 C ATOM 296 O SER A 21 -4.234 -10.305 2.800 1.00 0.00 O ATOM 297 CB SER A 21 -5.339 -10.112 5.886 1.00 0.00 C ATOM 298 OG SER A 21 -5.339 -11.458 5.441 1.00 0.00 O ATOM 0 H SER A 21 -5.558 -7.657 5.925 1.00 0.00 H new ATOM 0 HA SER A 21 -3.508 -9.368 5.039 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.882 -10.052 6.874 1.00 0.00 H new ATOM 0 HB3 SER A 21 -6.365 -9.759 5.988 1.00 0.00 H new ATOM 0 HG SER A 21 -5.829 -12.014 6.082 1.00 0.00 H new ATOM 304 N LYS A 22 -6.079 -9.036 3.015 1.00 0.00 N ATOM 305 CA LYS A 22 -6.549 -9.295 1.659 1.00 0.00 C ATOM 306 C LYS A 22 -5.485 -8.919 0.633 1.00 0.00 C ATOM 307 O LYS A 22 -5.235 -9.662 -0.318 1.00 0.00 O ATOM 308 CB LYS A 22 -7.836 -8.514 1.385 1.00 0.00 C ATOM 309 CG LYS A 22 -8.755 -9.187 0.380 1.00 0.00 C ATOM 310 CD LYS A 22 -9.810 -8.227 -0.141 1.00 0.00 C ATOM 311 CE LYS A 22 -11.086 -8.299 0.684 1.00 0.00 C ATOM 312 NZ LYS A 22 -11.948 -9.443 0.273 1.00 0.00 N ATOM 0 H LYS A 22 -6.685 -8.423 3.561 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.753 -10.362 1.570 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.375 -8.378 2.323 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.577 -7.520 1.019 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -8.166 -9.569 -0.454 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.240 -10.044 0.847 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.419 -7.210 -0.121 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -10.035 -8.461 -1.182 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.831 -8.397 1.739 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.642 -7.368 0.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.807 -9.458 0.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.212 -9.337 -0.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.427 -10.334 0.401 1.00 0.00 H new ATOM 326 N LEU A 23 -4.861 -7.764 0.832 1.00 0.00 N ATOM 327 CA LEU A 23 -3.822 -7.290 -0.076 1.00 0.00 C ATOM 328 C LEU A 23 -2.675 -8.292 -0.162 1.00 0.00 C ATOM 329 O LEU A 23 -2.249 -8.672 -1.254 1.00 0.00 O ATOM 330 CB LEU A 23 -3.292 -5.931 0.388 1.00 0.00 C ATOM 331 CG LEU A 23 -4.349 -4.893 0.766 1.00 0.00 C ATOM 332 CD1 LEU A 23 -3.697 -3.674 1.399 1.00 0.00 C ATOM 333 CD2 LEU A 23 -5.163 -4.491 -0.456 1.00 0.00 C ATOM 0 H LEU A 23 -5.056 -7.138 1.614 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.262 -7.183 -1.067 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.644 -6.091 1.250 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.671 -5.515 -0.405 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.024 -5.339 1.496 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.465 -2.946 1.661 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.159 -3.975 2.298 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.999 -3.226 0.692 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.910 -3.752 -0.168 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.501 -4.064 -1.209 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.661 -5.369 -0.867 1.00 0.00 H new ATOM 345 N LEU A 24 -2.181 -8.719 0.995 1.00 0.00 N ATOM 346 CA LEU A 24 -1.085 -9.680 1.051 1.00 0.00 C ATOM 347 C LEU A 24 -1.379 -10.893 0.174 1.00 0.00 C ATOM 348 O LEU A 24 -0.516 -11.357 -0.570 1.00 0.00 O ATOM 349 CB LEU A 24 -0.844 -10.125 2.494 1.00 0.00 C ATOM 350 CG LEU A 24 -0.301 -9.058 3.445 1.00 0.00 C ATOM 351 CD1 LEU A 24 -0.543 -9.458 4.892 1.00 0.00 C ATOM 352 CD2 LEU A 24 1.182 -8.826 3.194 1.00 0.00 C ATOM 0 H LEU A 24 -2.522 -8.415 1.907 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.187 -9.192 0.674 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.784 -10.499 2.899 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.146 -10.962 2.483 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.832 -8.125 3.255 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.150 -8.686 5.554 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.613 -9.572 5.064 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.040 -10.403 5.097 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.552 -8.064 3.879 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.728 -9.755 3.356 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.329 -8.493 2.167 1.00 0.00 H new ATOM 364 N ARG A 25 -2.604 -11.400 0.267 1.00 0.00 N ATOM 365 CA ARG A 25 -3.013 -12.559 -0.519 1.00 0.00 C ATOM 366 C ARG A 25 -2.512 -12.445 -1.956 1.00 0.00 C ATOM 367 O ARG A 25 -2.047 -13.424 -2.539 1.00 0.00 O ATOM 368 CB ARG A 25 -4.536 -12.697 -0.508 1.00 0.00 C ATOM 369 CG ARG A 25 -5.127 -12.811 0.888 1.00 0.00 C ATOM 370 CD ARG A 25 -6.636 -12.995 0.841 1.00 0.00 C ATOM 371 NE ARG A 25 -7.208 -13.174 2.173 1.00 0.00 N ATOM 372 CZ ARG A 25 -8.510 -13.123 2.426 1.00 0.00 C ATOM 373 NH1 ARG A 25 -9.372 -12.900 1.444 1.00 0.00 N ATOM 374 NH2 ARG A 25 -8.954 -13.295 3.665 1.00 0.00 N ATOM 0 H ARG A 25 -3.330 -11.027 0.878 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.571 -13.447 -0.068 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.974 -11.834 -1.010 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.817 -13.578 -1.085 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.673 -13.654 1.409 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.886 -11.915 1.460 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.092 -12.127 0.364 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.876 -13.861 0.224 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.572 -13.348 2.951 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -9.035 -12.767 0.490 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -10.372 -12.861 1.642 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.294 -13.467 4.424 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -9.955 -13.256 3.858 1.00 0.00 H new ATOM 388 N GLU A 26 -2.611 -11.245 -2.519 1.00 0.00 N ATOM 389 CA GLU A 26 -2.170 -11.005 -3.888 1.00 0.00 C ATOM 390 C GLU A 26 -0.680 -11.302 -4.039 1.00 0.00 C ATOM 391 O GLU A 26 0.128 -10.919 -3.193 1.00 0.00 O ATOM 392 CB GLU A 26 -2.456 -9.558 -4.293 1.00 0.00 C ATOM 393 CG GLU A 26 -3.937 -9.222 -4.346 1.00 0.00 C ATOM 394 CD GLU A 26 -4.664 -9.961 -5.453 1.00 0.00 C ATOM 395 OE1 GLU A 26 -4.177 -9.936 -6.602 1.00 0.00 O ATOM 396 OE2 GLU A 26 -5.720 -10.564 -5.169 1.00 0.00 O ATOM 0 H GLU A 26 -2.992 -10.424 -2.049 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.725 -11.675 -4.545 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.965 -8.888 -3.587 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.014 -9.369 -5.271 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.396 -9.467 -3.388 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.057 -8.148 -4.491 1.00 0.00 H new ATOM 403 N GLU A 27 -0.326 -11.988 -5.121 1.00 0.00 N ATOM 404 CA GLU A 27 1.065 -12.338 -5.382 1.00 0.00 C ATOM 405 C GLU A 27 1.969 -11.117 -5.238 1.00 0.00 C ATOM 406 O GLU A 27 3.107 -11.224 -4.781 1.00 0.00 O ATOM 407 CB GLU A 27 1.211 -12.931 -6.785 1.00 0.00 C ATOM 408 CG GLU A 27 0.619 -14.324 -6.920 1.00 0.00 C ATOM 409 CD GLU A 27 1.130 -15.058 -8.145 1.00 0.00 C ATOM 410 OE1 GLU A 27 2.267 -15.572 -8.097 1.00 0.00 O ATOM 411 OE2 GLU A 27 0.393 -15.118 -9.152 1.00 0.00 O ATOM 0 H GLU A 27 -0.983 -12.312 -5.831 1.00 0.00 H new ATOM 0 HA GLU A 27 1.369 -13.083 -4.647 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.727 -12.268 -7.503 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.268 -12.967 -7.047 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.856 -14.904 -6.028 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.467 -14.250 -6.972 1.00 0.00 H new ATOM 418 N ASP A 28 1.454 -9.957 -5.633 1.00 0.00 N ATOM 419 CA ASP A 28 2.214 -8.715 -5.549 1.00 0.00 C ATOM 420 C ASP A 28 2.644 -8.438 -4.111 1.00 0.00 C ATOM 421 O ASP A 28 3.750 -7.959 -3.866 1.00 0.00 O ATOM 422 CB ASP A 28 1.381 -7.547 -6.079 1.00 0.00 C ATOM 423 CG ASP A 28 0.596 -7.913 -7.323 1.00 0.00 C ATOM 424 OD1 ASP A 28 1.185 -7.895 -8.424 1.00 0.00 O ATOM 425 OD2 ASP A 28 -0.608 -8.219 -7.195 1.00 0.00 O ATOM 0 H ASP A 28 0.514 -9.851 -6.014 1.00 0.00 H new ATOM 0 HA ASP A 28 3.108 -8.822 -6.163 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.692 -7.214 -5.303 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.039 -6.707 -6.302 1.00 0.00 H new ATOM 430 N ASN A 29 1.761 -8.742 -3.166 1.00 0.00 N ATOM 431 CA ASN A 29 2.048 -8.524 -1.753 1.00 0.00 C ATOM 432 C ASN A 29 2.138 -9.851 -1.005 1.00 0.00 C ATOM 433 O ASN A 29 1.887 -9.916 0.199 1.00 0.00 O ATOM 434 CB ASN A 29 0.970 -7.641 -1.121 1.00 0.00 C ATOM 435 CG ASN A 29 0.699 -6.389 -1.933 1.00 0.00 C ATOM 436 OD1 ASN A 29 1.440 -6.066 -2.862 1.00 0.00 O ATOM 437 ND2 ASN A 29 -0.365 -5.677 -1.584 1.00 0.00 N ATOM 0 H ASN A 29 0.841 -9.140 -3.353 1.00 0.00 H new ATOM 0 HA ASN A 29 3.011 -8.019 -1.678 1.00 0.00 H new ATOM 0 HB2 ASN A 29 0.048 -8.213 -1.022 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.280 -7.358 -0.115 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.597 -4.824 -2.093 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.951 -5.983 -0.807 1.00 0.00 H new ATOM 444 N LYS A 30 2.497 -10.907 -1.726 1.00 0.00 N ATOM 445 CA LYS A 30 2.622 -12.233 -1.132 1.00 0.00 C ATOM 446 C LYS A 30 3.990 -12.411 -0.481 1.00 0.00 C ATOM 447 O LYS A 30 4.144 -13.191 0.458 1.00 0.00 O ATOM 448 CB LYS A 30 2.408 -13.313 -2.196 1.00 0.00 C ATOM 449 CG LYS A 30 0.968 -13.782 -2.303 1.00 0.00 C ATOM 450 CD LYS A 30 0.877 -15.161 -2.935 1.00 0.00 C ATOM 451 CE LYS A 30 -0.468 -15.814 -2.657 1.00 0.00 C ATOM 452 NZ LYS A 30 -0.457 -17.268 -2.979 1.00 0.00 N ATOM 0 H LYS A 30 2.707 -10.871 -2.724 1.00 0.00 H new ATOM 0 HA LYS A 30 1.857 -12.332 -0.362 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.729 -12.927 -3.164 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.044 -14.168 -1.967 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.517 -13.805 -1.311 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.395 -13.070 -2.897 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.028 -15.080 -4.011 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.676 -15.793 -2.548 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.728 -15.677 -1.607 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.241 -15.318 -3.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.392 -17.676 -2.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.234 -17.399 -3.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.263 -17.746 -2.400 1.00 0.00 H new ATOM 466 N TYR A 31 4.979 -11.681 -0.985 1.00 0.00 N ATOM 467 CA TYR A 31 6.334 -11.759 -0.452 1.00 0.00 C ATOM 468 C TYR A 31 6.888 -10.367 -0.165 1.00 0.00 C ATOM 469 O TYR A 31 6.419 -9.372 -0.719 1.00 0.00 O ATOM 470 CB TYR A 31 7.250 -12.491 -1.435 1.00 0.00 C ATOM 471 CG TYR A 31 6.607 -13.700 -2.075 1.00 0.00 C ATOM 472 CD1 TYR A 31 5.624 -13.557 -3.046 1.00 0.00 C ATOM 473 CD2 TYR A 31 6.984 -14.987 -1.710 1.00 0.00 C ATOM 474 CE1 TYR A 31 5.034 -14.660 -3.633 1.00 0.00 C ATOM 475 CE2 TYR A 31 6.401 -16.095 -2.292 1.00 0.00 C ATOM 476 CZ TYR A 31 5.425 -15.926 -3.253 1.00 0.00 C ATOM 477 OH TYR A 31 4.841 -17.027 -3.836 1.00 0.00 O ATOM 0 H TYR A 31 4.868 -11.029 -1.761 1.00 0.00 H new ATOM 0 HA TYR A 31 6.297 -12.316 0.484 1.00 0.00 H new ATOM 0 HB2 TYR A 31 7.558 -11.797 -2.217 1.00 0.00 H new ATOM 0 HB3 TYR A 31 8.154 -12.804 -0.912 1.00 0.00 H new ATOM 0 HD1 TYR A 31 5.316 -12.567 -3.347 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.747 -15.123 -0.958 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.270 -14.531 -4.386 1.00 0.00 H new ATOM 0 HE2 TYR A 31 6.707 -17.088 -1.997 1.00 0.00 H new ATOM 0 HH TYR A 31 5.230 -17.843 -3.457 1.00 0.00 H new ATOM 487 N CYS A 32 7.889 -10.303 0.707 1.00 0.00 N ATOM 488 CA CYS A 32 8.509 -9.035 1.070 1.00 0.00 C ATOM 489 C CYS A 32 8.919 -8.254 -0.176 1.00 0.00 C ATOM 490 O CYS A 32 8.970 -8.802 -1.276 1.00 0.00 O ATOM 491 CB CYS A 32 9.730 -9.275 1.960 1.00 0.00 C ATOM 492 SG CYS A 32 10.349 -7.779 2.793 1.00 0.00 S ATOM 0 H CYS A 32 8.288 -11.116 1.176 1.00 0.00 H new ATOM 0 HA CYS A 32 7.777 -8.446 1.622 1.00 0.00 H new ATOM 0 HB2 CYS A 32 9.475 -10.019 2.715 1.00 0.00 H new ATOM 0 HB3 CYS A 32 10.531 -9.698 1.353 1.00 0.00 H new ATOM 0 HG CYS A 32 11.142 -8.120 3.765 1.00 0.00 H new ATOM 497 N ALA A 33 9.211 -6.970 0.007 1.00 0.00 N ATOM 498 CA ALA A 33 9.619 -6.114 -1.100 1.00 0.00 C ATOM 499 C ALA A 33 11.139 -6.024 -1.192 1.00 0.00 C ATOM 500 O ALA A 33 11.679 -5.448 -2.137 1.00 0.00 O ATOM 501 CB ALA A 33 9.014 -4.727 -0.945 1.00 0.00 C ATOM 0 H ALA A 33 9.172 -6.500 0.912 1.00 0.00 H new ATOM 0 HA ALA A 33 9.251 -6.557 -2.025 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.327 -4.098 -1.779 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.927 -4.803 -0.936 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.354 -4.284 -0.009 1.00 0.00 H new ATOM 507 N ASP A 34 11.822 -6.594 -0.206 1.00 0.00 N ATOM 508 CA ASP A 34 13.280 -6.578 -0.177 1.00 0.00 C ATOM 509 C ASP A 34 13.840 -7.996 -0.236 1.00 0.00 C ATOM 510 O ASP A 34 14.579 -8.346 -1.157 1.00 0.00 O ATOM 511 CB ASP A 34 13.778 -5.871 1.084 1.00 0.00 C ATOM 512 CG ASP A 34 13.322 -4.427 1.157 1.00 0.00 C ATOM 513 OD1 ASP A 34 13.278 -3.765 0.099 1.00 0.00 O ATOM 514 OD2 ASP A 34 13.009 -3.959 2.271 1.00 0.00 O ATOM 0 H ASP A 34 11.390 -7.073 0.584 1.00 0.00 H new ATOM 0 HA ASP A 34 13.631 -6.032 -1.053 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.420 -6.407 1.963 1.00 0.00 H new ATOM 0 HB3 ASP A 34 14.867 -5.907 1.111 1.00 0.00 H new ATOM 519 N CYS A 35 13.485 -8.809 0.754 1.00 0.00 N ATOM 520 CA CYS A 35 13.952 -10.188 0.817 1.00 0.00 C ATOM 521 C CYS A 35 12.883 -11.149 0.305 1.00 0.00 C ATOM 522 O CYS A 35 13.019 -12.366 0.427 1.00 0.00 O ATOM 523 CB CYS A 35 14.337 -10.553 2.252 1.00 0.00 C ATOM 524 SG CYS A 35 12.914 -10.781 3.368 1.00 0.00 S ATOM 0 H CYS A 35 12.875 -8.535 1.524 1.00 0.00 H new ATOM 0 HA CYS A 35 14.831 -10.277 0.178 1.00 0.00 H new ATOM 0 HB2 CYS A 35 14.924 -11.471 2.237 1.00 0.00 H new ATOM 0 HB3 CYS A 35 14.980 -9.770 2.655 1.00 0.00 H new ATOM 0 HG CYS A 35 12.067 -9.810 3.195 1.00 0.00 H new ATOM 529 N GLU A 36 11.821 -10.592 -0.269 1.00 0.00 N ATOM 530 CA GLU A 36 10.729 -11.400 -0.799 1.00 0.00 C ATOM 531 C GLU A 36 10.422 -12.574 0.126 1.00 0.00 C ATOM 532 O GLU A 36 10.079 -13.664 -0.330 1.00 0.00 O ATOM 533 CB GLU A 36 11.078 -11.916 -2.197 1.00 0.00 C ATOM 534 CG GLU A 36 10.868 -10.887 -3.295 1.00 0.00 C ATOM 535 CD GLU A 36 9.464 -10.921 -3.866 1.00 0.00 C ATOM 536 OE1 GLU A 36 9.118 -11.918 -4.532 1.00 0.00 O ATOM 537 OE2 GLU A 36 8.711 -9.949 -3.645 1.00 0.00 O ATOM 0 H GLU A 36 11.694 -9.586 -0.379 1.00 0.00 H new ATOM 0 HA GLU A 36 9.843 -10.769 -0.863 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.119 -12.238 -2.207 1.00 0.00 H new ATOM 0 HB3 GLU A 36 10.470 -12.795 -2.413 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.071 -9.892 -2.899 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.586 -11.064 -4.096 1.00 0.00 H new ATOM 544 N ALA A 37 10.550 -12.343 1.429 1.00 0.00 N ATOM 545 CA ALA A 37 10.285 -13.380 2.418 1.00 0.00 C ATOM 546 C ALA A 37 8.839 -13.858 2.339 1.00 0.00 C ATOM 547 O ALA A 37 7.920 -13.061 2.152 1.00 0.00 O ATOM 548 CB ALA A 37 10.597 -12.867 3.816 1.00 0.00 C ATOM 0 H ALA A 37 10.836 -11.447 1.824 1.00 0.00 H new ATOM 0 HA ALA A 37 10.933 -14.229 2.200 1.00 0.00 H new ATOM 0 HB1 ALA A 37 10.395 -13.652 4.545 1.00 0.00 H new ATOM 0 HB2 ALA A 37 11.647 -12.581 3.873 1.00 0.00 H new ATOM 0 HB3 ALA A 37 9.973 -12.000 4.033 1.00 0.00 H new ATOM 554 N LYS A 38 8.645 -15.165 2.482 1.00 0.00 N ATOM 555 CA LYS A 38 7.310 -15.750 2.427 1.00 0.00 C ATOM 556 C LYS A 38 6.483 -15.333 3.638 1.00 0.00 C ATOM 557 O LYS A 38 6.906 -15.503 4.781 1.00 0.00 O ATOM 558 CB LYS A 38 7.404 -17.277 2.361 1.00 0.00 C ATOM 559 CG LYS A 38 7.338 -17.830 0.948 1.00 0.00 C ATOM 560 CD LYS A 38 5.912 -18.168 0.547 1.00 0.00 C ATOM 561 CE LYS A 38 5.534 -19.580 0.968 1.00 0.00 C ATOM 562 NZ LYS A 38 4.205 -19.982 0.430 1.00 0.00 N ATOM 0 H LYS A 38 9.395 -15.839 2.637 1.00 0.00 H new ATOM 0 HA LYS A 38 6.815 -15.382 1.528 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.338 -17.595 2.823 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.594 -17.708 2.949 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.749 -17.100 0.251 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.958 -18.723 0.877 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.226 -17.455 1.004 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.803 -18.068 -0.533 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.294 -20.279 0.618 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.520 -19.643 2.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.984 -20.950 0.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.476 -19.330 0.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.226 -19.947 -0.609 1.00 0.00 H new ATOM 576 N GLY A 39 5.299 -14.786 3.380 1.00 0.00 N ATOM 577 CA GLY A 39 4.430 -14.354 4.460 1.00 0.00 C ATOM 578 C GLY A 39 4.893 -13.056 5.092 1.00 0.00 C ATOM 579 O GLY A 39 5.186 -12.993 6.286 1.00 0.00 O ATOM 0 H GLY A 39 4.926 -14.634 2.443 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.417 -14.228 4.079 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.389 -15.132 5.223 1.00 0.00 H new ATOM 583 N PRO A 40 4.965 -11.991 4.281 1.00 0.00 N ATOM 584 CA PRO A 40 5.396 -10.669 4.747 1.00 0.00 C ATOM 585 C PRO A 40 4.373 -10.018 5.672 1.00 0.00 C ATOM 586 O PRO A 40 3.595 -9.164 5.250 1.00 0.00 O ATOM 587 CB PRO A 40 5.533 -9.864 3.452 1.00 0.00 C ATOM 588 CG PRO A 40 4.612 -10.532 2.491 1.00 0.00 C ATOM 589 CD PRO A 40 4.630 -11.993 2.847 1.00 0.00 C ATOM 0 HA PRO A 40 6.314 -10.723 5.332 1.00 0.00 H new ATOM 0 HB2 PRO A 40 5.258 -8.820 3.604 1.00 0.00 H new ATOM 0 HB3 PRO A 40 6.560 -9.873 3.087 1.00 0.00 H new ATOM 0 HG2 PRO A 40 3.604 -10.124 2.568 1.00 0.00 H new ATOM 0 HG3 PRO A 40 4.941 -10.377 1.463 1.00 0.00 H new ATOM 0 HD2 PRO A 40 3.665 -12.464 2.661 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.370 -12.540 2.262 1.00 0.00 H new ATOM 597 N ARG A 41 4.382 -10.428 6.937 1.00 0.00 N ATOM 598 CA ARG A 41 3.454 -9.885 7.922 1.00 0.00 C ATOM 599 C ARG A 41 3.584 -8.368 8.013 1.00 0.00 C ATOM 600 O ARG A 41 2.712 -7.631 7.552 1.00 0.00 O ATOM 601 CB ARG A 41 3.708 -10.513 9.293 1.00 0.00 C ATOM 602 CG ARG A 41 2.451 -10.671 10.133 1.00 0.00 C ATOM 603 CD ARG A 41 1.767 -9.334 10.369 1.00 0.00 C ATOM 604 NE ARG A 41 0.764 -9.045 9.347 1.00 0.00 N ATOM 605 CZ ARG A 41 -0.338 -9.767 9.173 1.00 0.00 C ATOM 606 NH1 ARG A 41 -0.578 -10.814 9.950 1.00 0.00 N ATOM 607 NH2 ARG A 41 -1.203 -9.440 8.221 1.00 0.00 N ATOM 0 H ARG A 41 5.021 -11.134 7.303 1.00 0.00 H new ATOM 0 HA ARG A 41 2.441 -10.126 7.602 1.00 0.00 H new ATOM 0 HB2 ARG A 41 4.168 -11.491 9.155 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.424 -9.898 9.838 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.761 -11.351 9.633 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.707 -11.124 11.091 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.294 -9.337 11.351 1.00 0.00 H new ATOM 0 HD3 ARG A 41 2.515 -8.541 10.378 1.00 0.00 H new ATOM 0 HE ARG A 41 0.918 -8.245 8.733 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.084 -11.067 10.684 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.425 -11.366 9.814 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.022 -8.634 7.622 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.049 -9.995 8.088 1.00 0.00 H new ATOM 621 N TRP A 42 4.678 -7.908 8.610 1.00 0.00 N ATOM 622 CA TRP A 42 4.922 -6.478 8.761 1.00 0.00 C ATOM 623 C TRP A 42 4.582 -5.729 7.478 1.00 0.00 C ATOM 624 O TRP A 42 4.479 -6.327 6.408 1.00 0.00 O ATOM 625 CB TRP A 42 6.382 -6.227 9.142 1.00 0.00 C ATOM 626 CG TRP A 42 6.734 -6.725 10.511 1.00 0.00 C ATOM 627 CD1 TRP A 42 6.866 -8.027 10.901 1.00 0.00 C ATOM 628 CD2 TRP A 42 6.996 -5.928 11.671 1.00 0.00 C ATOM 629 NE1 TRP A 42 7.194 -8.088 12.234 1.00 0.00 N ATOM 630 CE2 TRP A 42 7.281 -6.814 12.729 1.00 0.00 C ATOM 631 CE3 TRP A 42 7.019 -4.553 11.920 1.00 0.00 C ATOM 632 CZ2 TRP A 42 7.584 -6.367 14.013 1.00 0.00 C ATOM 633 CZ3 TRP A 42 7.320 -4.111 13.194 1.00 0.00 C ATOM 634 CH2 TRP A 42 7.599 -5.015 14.227 1.00 0.00 C ATOM 0 H TRP A 42 5.410 -8.504 8.997 1.00 0.00 H new ATOM 0 HA TRP A 42 4.277 -6.106 9.557 1.00 0.00 H new ATOM 0 HB2 TRP A 42 7.029 -6.711 8.410 1.00 0.00 H new ATOM 0 HB3 TRP A 42 6.585 -5.157 9.089 1.00 0.00 H new ATOM 0 HD1 TRP A 42 6.732 -8.883 10.256 1.00 0.00 H new ATOM 0 HE1 TRP A 42 7.348 -8.943 12.768 1.00 0.00 H new ATOM 0 HE3 TRP A 42 6.805 -3.848 11.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 7.799 -7.062 14.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 7.341 -3.050 13.397 1.00 0.00 H new ATOM 0 HH2 TRP A 42 7.831 -4.638 15.212 1.00 0.00 H new ATOM 645 N ALA A 43 4.409 -4.416 7.593 1.00 0.00 N ATOM 646 CA ALA A 43 4.082 -3.585 6.441 1.00 0.00 C ATOM 647 C ALA A 43 4.261 -2.105 6.763 1.00 0.00 C ATOM 648 O ALA A 43 3.642 -1.583 7.690 1.00 0.00 O ATOM 649 CB ALA A 43 2.659 -3.858 5.979 1.00 0.00 C ATOM 0 H ALA A 43 4.490 -3.905 8.472 1.00 0.00 H new ATOM 0 HA ALA A 43 4.769 -3.840 5.634 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.429 -3.230 5.118 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.562 -4.907 5.699 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.964 -3.633 6.788 1.00 0.00 H new ATOM 655 N SER A 44 5.112 -1.435 5.993 1.00 0.00 N ATOM 656 CA SER A 44 5.376 -0.016 6.199 1.00 0.00 C ATOM 657 C SER A 44 4.319 0.839 5.508 1.00 0.00 C ATOM 658 O SER A 44 4.257 0.897 4.280 1.00 0.00 O ATOM 659 CB SER A 44 6.766 0.348 5.674 1.00 0.00 C ATOM 660 OG SER A 44 7.297 1.465 6.367 1.00 0.00 O ATOM 0 H SER A 44 5.631 -1.852 5.220 1.00 0.00 H new ATOM 0 HA SER A 44 5.337 0.184 7.270 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.435 -0.505 5.786 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.709 0.571 4.609 1.00 0.00 H new ATOM 0 HG SER A 44 8.276 1.417 6.363 1.00 0.00 H new ATOM 666 N TRP A 45 3.489 1.502 6.305 1.00 0.00 N ATOM 667 CA TRP A 45 2.433 2.355 5.771 1.00 0.00 C ATOM 668 C TRP A 45 3.020 3.598 5.111 1.00 0.00 C ATOM 669 O TRP A 45 2.629 3.968 4.005 1.00 0.00 O ATOM 670 CB TRP A 45 1.465 2.761 6.883 1.00 0.00 C ATOM 671 CG TRP A 45 2.128 3.498 8.007 1.00 0.00 C ATOM 672 CD1 TRP A 45 2.630 2.960 9.158 1.00 0.00 C ATOM 673 CD2 TRP A 45 2.358 4.909 8.089 1.00 0.00 C ATOM 674 NE1 TRP A 45 3.158 3.951 9.949 1.00 0.00 N ATOM 675 CE2 TRP A 45 3.005 5.156 9.316 1.00 0.00 C ATOM 676 CE3 TRP A 45 2.083 5.988 7.244 1.00 0.00 C ATOM 677 CZ2 TRP A 45 3.378 6.436 9.716 1.00 0.00 C ATOM 678 CZ3 TRP A 45 2.454 7.258 7.644 1.00 0.00 C ATOM 679 CH2 TRP A 45 3.096 7.473 8.870 1.00 0.00 C ATOM 0 H TRP A 45 3.527 1.465 7.324 1.00 0.00 H new ATOM 0 HA TRP A 45 1.889 1.788 5.016 1.00 0.00 H new ATOM 0 HB2 TRP A 45 0.680 3.388 6.460 1.00 0.00 H new ATOM 0 HB3 TRP A 45 0.982 1.868 7.279 1.00 0.00 H new ATOM 0 HD1 TRP A 45 2.614 1.910 9.409 1.00 0.00 H new ATOM 0 HE1 TRP A 45 3.594 3.812 10.861 1.00 0.00 H new ATOM 0 HE3 TRP A 45 1.590 5.832 6.296 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 3.873 6.604 10.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 2.245 8.099 7.000 1.00 0.00 H new ATOM 0 HH2 TRP A 45 3.374 8.478 9.153 1.00 0.00 H new ATOM 690 N ASN A 46 3.960 4.240 5.798 1.00 0.00 N ATOM 691 CA ASN A 46 4.600 5.443 5.278 1.00 0.00 C ATOM 692 C ASN A 46 4.954 5.276 3.803 1.00 0.00 C ATOM 693 O ASN A 46 4.682 6.155 2.986 1.00 0.00 O ATOM 694 CB ASN A 46 5.860 5.764 6.083 1.00 0.00 C ATOM 695 CG ASN A 46 6.569 7.005 5.577 1.00 0.00 C ATOM 696 OD1 ASN A 46 7.838 6.855 5.215 1.00 0.00 O flip ATOM 697 ND2 ASN A 46 5.983 8.086 5.512 1.00 0.00 N flip ATOM 0 H ASN A 46 4.295 3.947 6.716 1.00 0.00 H new ATOM 0 HA ASN A 46 3.896 6.270 5.373 1.00 0.00 H new ATOM 0 HB2 ASN A 46 5.593 5.903 7.131 1.00 0.00 H new ATOM 0 HB3 ASN A 46 6.542 4.915 6.038 1.00 0.00 H new ATOM 0 HD21 ASN A 46 5.007 8.155 5.801 1.00 0.00 H new ATOM 0 HD22 ASN A 46 6.473 8.912 5.169 1.00 0.00 H new ATOM 704 N ILE A 47 5.563 4.142 3.471 1.00 0.00 N ATOM 705 CA ILE A 47 5.953 3.859 2.096 1.00 0.00 C ATOM 706 C ILE A 47 4.796 3.252 1.310 1.00 0.00 C ATOM 707 O ILE A 47 4.483 3.692 0.205 1.00 0.00 O ATOM 708 CB ILE A 47 7.157 2.901 2.037 1.00 0.00 C ATOM 709 CG1 ILE A 47 8.376 3.538 2.708 1.00 0.00 C ATOM 710 CG2 ILE A 47 7.472 2.533 0.595 1.00 0.00 C ATOM 711 CD1 ILE A 47 9.550 2.594 2.850 1.00 0.00 C ATOM 0 H ILE A 47 5.797 3.405 4.136 1.00 0.00 H new ATOM 0 HA ILE A 47 6.235 4.811 1.647 1.00 0.00 H new ATOM 0 HB ILE A 47 6.903 1.989 2.577 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.687 4.407 2.128 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.089 3.900 3.696 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.325 1.855 0.571 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.607 2.044 0.147 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.709 3.436 0.033 1.00 0.00 H new ATOM 0 HD11 ILE A 47 10.378 3.113 3.334 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.256 1.736 3.455 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.863 2.252 1.864 1.00 0.00 H new ATOM 723 N GLY A 48 4.162 2.236 1.890 1.00 0.00 N ATOM 724 CA GLY A 48 3.045 1.585 1.231 1.00 0.00 C ATOM 725 C GLY A 48 3.413 0.224 0.676 1.00 0.00 C ATOM 726 O GLY A 48 2.972 -0.152 -0.411 1.00 0.00 O ATOM 0 H GLY A 48 4.403 1.853 2.804 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.223 1.475 1.939 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.685 2.219 0.421 1.00 0.00 H new ATOM 730 N VAL A 49 4.225 -0.518 1.423 1.00 0.00 N ATOM 731 CA VAL A 49 4.652 -1.846 0.999 1.00 0.00 C ATOM 732 C VAL A 49 4.679 -2.816 2.175 1.00 0.00 C ATOM 733 O VAL A 49 4.848 -2.410 3.325 1.00 0.00 O ATOM 734 CB VAL A 49 6.049 -1.806 0.350 1.00 0.00 C ATOM 735 CG1 VAL A 49 6.035 -0.926 -0.891 1.00 0.00 C ATOM 736 CG2 VAL A 49 7.086 -1.316 1.349 1.00 0.00 C ATOM 0 H VAL A 49 4.600 -0.222 2.324 1.00 0.00 H new ATOM 0 HA VAL A 49 3.926 -2.191 0.263 1.00 0.00 H new ATOM 0 HB VAL A 49 6.320 -2.817 0.047 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.030 -0.909 -1.336 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.321 -1.325 -1.612 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.744 0.088 -0.615 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.067 -1.294 0.874 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.823 -0.313 1.684 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.113 -1.990 2.206 1.00 0.00 H new ATOM 746 N PHE A 50 4.511 -4.101 1.879 1.00 0.00 N ATOM 747 CA PHE A 50 4.515 -5.130 2.912 1.00 0.00 C ATOM 748 C PHE A 50 5.889 -5.783 3.024 1.00 0.00 C ATOM 749 O PHE A 50 6.398 -6.353 2.058 1.00 0.00 O ATOM 750 CB PHE A 50 3.456 -6.193 2.607 1.00 0.00 C ATOM 751 CG PHE A 50 2.055 -5.653 2.581 1.00 0.00 C ATOM 752 CD1 PHE A 50 1.543 -5.074 1.430 1.00 0.00 C ATOM 753 CD2 PHE A 50 1.250 -5.724 3.706 1.00 0.00 C ATOM 754 CE1 PHE A 50 0.254 -4.576 1.404 1.00 0.00 C ATOM 755 CE2 PHE A 50 -0.040 -5.228 3.685 1.00 0.00 C ATOM 756 CZ PHE A 50 -0.539 -4.654 2.532 1.00 0.00 C ATOM 0 H PHE A 50 4.370 -4.454 0.932 1.00 0.00 H new ATOM 0 HA PHE A 50 4.279 -4.655 3.864 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.679 -6.650 1.643 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.519 -6.982 3.356 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.158 -5.011 0.544 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.635 -6.172 4.610 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.133 -4.126 0.502 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.657 -5.289 4.569 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.547 -4.267 2.513 1.00 0.00 H new ATOM 766 N ILE A 51 6.485 -5.695 4.209 1.00 0.00 N ATOM 767 CA ILE A 51 7.799 -6.276 4.448 1.00 0.00 C ATOM 768 C ILE A 51 7.758 -7.274 5.600 1.00 0.00 C ATOM 769 O ILE A 51 6.775 -7.346 6.339 1.00 0.00 O ATOM 770 CB ILE A 51 8.847 -5.192 4.760 1.00 0.00 C ATOM 771 CG1 ILE A 51 8.372 -4.312 5.919 1.00 0.00 C ATOM 772 CG2 ILE A 51 9.119 -4.347 3.525 1.00 0.00 C ATOM 773 CD1 ILE A 51 9.421 -3.337 6.407 1.00 0.00 C ATOM 0 H ILE A 51 6.078 -5.226 5.018 1.00 0.00 H new ATOM 0 HA ILE A 51 8.085 -6.793 3.532 1.00 0.00 H new ATOM 0 HB ILE A 51 9.776 -5.680 5.055 1.00 0.00 H new ATOM 0 HG12 ILE A 51 7.489 -3.756 5.604 1.00 0.00 H new ATOM 0 HG13 ILE A 51 8.067 -4.951 6.748 1.00 0.00 H new ATOM 0 HG21 ILE A 51 9.862 -3.585 3.762 1.00 0.00 H new ATOM 0 HG22 ILE A 51 9.495 -4.984 2.724 1.00 0.00 H new ATOM 0 HG23 ILE A 51 8.196 -3.866 3.203 1.00 0.00 H new ATOM 0 HD11 ILE A 51 9.015 -2.747 7.229 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.296 -3.887 6.753 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.709 -2.674 5.591 1.00 0.00 H new ATOM 785 N CYS A 52 8.832 -8.042 5.750 1.00 0.00 N ATOM 786 CA CYS A 52 8.920 -9.035 6.813 1.00 0.00 C ATOM 787 C CYS A 52 9.328 -8.385 8.132 1.00 0.00 C ATOM 788 O CYS A 52 9.435 -7.162 8.226 1.00 0.00 O ATOM 789 CB CYS A 52 9.925 -10.127 6.438 1.00 0.00 C ATOM 790 SG CYS A 52 11.622 -9.518 6.178 1.00 0.00 S ATOM 0 H CYS A 52 9.654 -7.995 5.148 1.00 0.00 H new ATOM 0 HA CYS A 52 7.935 -9.484 6.939 1.00 0.00 H new ATOM 0 HB2 CYS A 52 9.937 -10.880 7.226 1.00 0.00 H new ATOM 0 HB3 CYS A 52 9.585 -10.622 5.529 1.00 0.00 H new ATOM 0 HG CYS A 52 12.205 -10.236 5.264 1.00 0.00 H new ATOM 795 N ILE A 53 9.554 -9.212 9.148 1.00 0.00 N ATOM 796 CA ILE A 53 9.951 -8.718 10.460 1.00 0.00 C ATOM 797 C ILE A 53 11.413 -8.284 10.465 1.00 0.00 C ATOM 798 O ILE A 53 11.770 -7.278 11.079 1.00 0.00 O ATOM 799 CB ILE A 53 9.741 -9.785 11.551 1.00 0.00 C ATOM 800 CG1 ILE A 53 9.765 -9.140 12.938 1.00 0.00 C ATOM 801 CG2 ILE A 53 10.805 -10.867 11.445 1.00 0.00 C ATOM 802 CD1 ILE A 53 11.156 -9.005 13.517 1.00 0.00 C ATOM 0 H ILE A 53 9.469 -10.227 9.087 1.00 0.00 H new ATOM 0 HA ILE A 53 9.318 -7.858 10.678 1.00 0.00 H new ATOM 0 HB ILE A 53 8.765 -10.247 11.403 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.307 -8.152 12.879 1.00 0.00 H new ATOM 0 HG13 ILE A 53 9.154 -9.734 13.617 1.00 0.00 H new ATOM 0 HG21 ILE A 53 10.643 -11.614 12.222 1.00 0.00 H new ATOM 0 HG22 ILE A 53 10.744 -11.343 10.466 1.00 0.00 H new ATOM 0 HG23 ILE A 53 11.792 -10.421 11.570 1.00 0.00 H new ATOM 0 HD11 ILE A 53 11.097 -8.540 14.501 1.00 0.00 H new ATOM 0 HD12 ILE A 53 11.609 -9.992 13.609 1.00 0.00 H new ATOM 0 HD13 ILE A 53 11.765 -8.386 12.859 1.00 0.00 H new ATOM 814 N ARG A 54 12.254 -9.048 9.776 1.00 0.00 N ATOM 815 CA ARG A 54 13.677 -8.741 9.700 1.00 0.00 C ATOM 816 C ARG A 54 13.905 -7.366 9.079 1.00 0.00 C ATOM 817 O ARG A 54 14.365 -6.440 9.748 1.00 0.00 O ATOM 818 CB ARG A 54 14.407 -9.809 8.882 1.00 0.00 C ATOM 819 CG ARG A 54 15.910 -9.593 8.803 1.00 0.00 C ATOM 820 CD ARG A 54 16.294 -8.799 7.565 1.00 0.00 C ATOM 821 NE ARG A 54 16.055 -9.552 6.336 1.00 0.00 N ATOM 822 CZ ARG A 54 16.822 -10.557 5.929 1.00 0.00 C ATOM 823 NH1 ARG A 54 17.872 -10.928 6.648 1.00 0.00 N ATOM 824 NH2 ARG A 54 16.539 -11.193 4.799 1.00 0.00 N ATOM 0 H ARG A 54 11.975 -9.884 9.263 1.00 0.00 H new ATOM 0 HA ARG A 54 14.076 -8.733 10.714 1.00 0.00 H new ATOM 0 HB2 ARG A 54 14.211 -10.787 9.321 1.00 0.00 H new ATOM 0 HB3 ARG A 54 13.997 -9.825 7.872 1.00 0.00 H new ATOM 0 HG2 ARG A 54 16.250 -9.066 9.695 1.00 0.00 H new ATOM 0 HG3 ARG A 54 16.417 -10.558 8.790 1.00 0.00 H new ATOM 0 HD2 ARG A 54 15.723 -7.871 7.538 1.00 0.00 H new ATOM 0 HD3 ARG A 54 17.347 -8.524 7.623 1.00 0.00 H new ATOM 0 HE ARG A 54 15.255 -9.292 5.759 1.00 0.00 H new ATOM 0 HH11 ARG A 54 18.093 -10.441 7.517 1.00 0.00 H new ATOM 0 HH12 ARG A 54 18.459 -11.700 6.333 1.00 0.00 H new ATOM 0 HH21 ARG A 54 15.732 -10.910 4.243 1.00 0.00 H new ATOM 0 HH22 ARG A 54 17.128 -11.965 4.487 1.00 0.00 H new ATOM 838 N CYS A 55 13.581 -7.240 7.797 1.00 0.00 N ATOM 839 CA CYS A 55 13.750 -5.979 7.085 1.00 0.00 C ATOM 840 C CYS A 55 13.198 -4.815 7.902 1.00 0.00 C ATOM 841 O CYS A 55 13.876 -3.808 8.104 1.00 0.00 O ATOM 842 CB CYS A 55 13.052 -6.039 5.725 1.00 0.00 C ATOM 843 SG CYS A 55 13.864 -7.139 4.520 1.00 0.00 S ATOM 0 H CYS A 55 13.199 -7.997 7.229 1.00 0.00 H new ATOM 0 HA CYS A 55 14.817 -5.818 6.931 1.00 0.00 H new ATOM 0 HB2 CYS A 55 12.024 -6.372 5.870 1.00 0.00 H new ATOM 0 HB3 CYS A 55 13.005 -5.033 5.308 1.00 0.00 H new ATOM 0 HG CYS A 55 13.397 -8.345 4.650 1.00 0.00 H new ATOM 848 N ALA A 56 11.962 -4.961 8.369 1.00 0.00 N ATOM 849 CA ALA A 56 11.319 -3.923 9.165 1.00 0.00 C ATOM 850 C ALA A 56 12.285 -3.341 10.191 1.00 0.00 C ATOM 851 O ALA A 56 12.425 -2.124 10.306 1.00 0.00 O ATOM 852 CB ALA A 56 10.083 -4.479 9.857 1.00 0.00 C ATOM 0 H ALA A 56 11.386 -5.788 8.210 1.00 0.00 H new ATOM 0 HA ALA A 56 11.016 -3.120 8.494 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.613 -3.693 10.448 1.00 0.00 H new ATOM 0 HB2 ALA A 56 9.379 -4.841 9.108 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.371 -5.302 10.511 1.00 0.00 H new ATOM 858 N GLY A 57 12.949 -4.218 10.937 1.00 0.00 N ATOM 859 CA GLY A 57 13.893 -3.772 11.945 1.00 0.00 C ATOM 860 C GLY A 57 14.873 -2.748 11.408 1.00 0.00 C ATOM 861 O GLY A 57 15.155 -1.744 12.064 1.00 0.00 O ATOM 0 H GLY A 57 12.850 -5.230 10.861 1.00 0.00 H new ATOM 0 HA2 GLY A 57 13.347 -3.342 12.785 1.00 0.00 H new ATOM 0 HA3 GLY A 57 14.443 -4.631 12.328 1.00 0.00 H new ATOM 865 N ILE A 58 15.396 -3.002 10.213 1.00 0.00 N ATOM 866 CA ILE A 58 16.352 -2.095 9.589 1.00 0.00 C ATOM 867 C ILE A 58 15.687 -0.779 9.202 1.00 0.00 C ATOM 868 O ILE A 58 16.237 0.299 9.435 1.00 0.00 O ATOM 869 CB ILE A 58 16.989 -2.724 8.336 1.00 0.00 C ATOM 870 CG1 ILE A 58 17.783 -3.976 8.714 1.00 0.00 C ATOM 871 CG2 ILE A 58 17.884 -1.714 7.634 1.00 0.00 C ATOM 872 CD1 ILE A 58 16.966 -5.248 8.662 1.00 0.00 C ATOM 0 H ILE A 58 15.174 -3.828 9.658 1.00 0.00 H new ATOM 0 HA ILE A 58 17.133 -1.903 10.325 1.00 0.00 H new ATOM 0 HB ILE A 58 16.194 -3.015 7.649 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.635 -4.073 8.041 1.00 0.00 H new ATOM 0 HG13 ILE A 58 18.184 -3.852 9.720 1.00 0.00 H new ATOM 0 HG21 ILE A 58 18.327 -2.173 6.750 1.00 0.00 H new ATOM 0 HG22 ILE A 58 17.292 -0.849 7.335 1.00 0.00 H new ATOM 0 HG23 ILE A 58 18.675 -1.395 8.313 1.00 0.00 H new ATOM 0 HD11 ILE A 58 17.593 -6.095 8.942 1.00 0.00 H new ATOM 0 HD12 ILE A 58 16.129 -5.171 9.356 1.00 0.00 H new ATOM 0 HD13 ILE A 58 16.587 -5.396 7.651 1.00 0.00 H new ATOM 884 N HIS A 59 14.500 -0.872 8.611 1.00 0.00 N ATOM 885 CA HIS A 59 13.758 0.312 8.194 1.00 0.00 C ATOM 886 C HIS A 59 13.703 1.343 9.318 1.00 0.00 C ATOM 887 O HIS A 59 14.012 2.517 9.112 1.00 0.00 O ATOM 888 CB HIS A 59 12.341 -0.072 7.768 1.00 0.00 C ATOM 889 CG HIS A 59 12.233 -0.455 6.324 1.00 0.00 C ATOM 890 ND1 HIS A 59 11.566 0.309 5.390 1.00 0.00 N ATOM 891 CD2 HIS A 59 12.713 -1.530 5.655 1.00 0.00 C ATOM 892 CE1 HIS A 59 11.640 -0.279 4.209 1.00 0.00 C ATOM 893 NE2 HIS A 59 12.331 -1.397 4.343 1.00 0.00 N ATOM 0 H HIS A 59 14.031 -1.755 8.410 1.00 0.00 H new ATOM 0 HA HIS A 59 14.277 0.755 7.344 1.00 0.00 H new ATOM 0 HB2 HIS A 59 11.999 -0.904 8.383 1.00 0.00 H new ATOM 0 HB3 HIS A 59 11.672 0.766 7.964 1.00 0.00 H new ATOM 0 HD2 HIS A 59 13.289 -2.341 6.075 1.00 0.00 H new ATOM 0 HE1 HIS A 59 11.209 0.091 3.291 1.00 0.00 H new ATOM 0 HE2 HIS A 59 12.546 -2.055 3.593 1.00 0.00 H new ATOM 901 N ARG A 60 13.307 0.896 10.505 1.00 0.00 N ATOM 902 CA ARG A 60 13.209 1.779 11.660 1.00 0.00 C ATOM 903 C ARG A 60 14.466 2.632 11.801 1.00 0.00 C ATOM 904 O ARG A 60 14.389 3.851 11.948 1.00 0.00 O ATOM 905 CB ARG A 60 12.988 0.964 12.936 1.00 0.00 C ATOM 906 CG ARG A 60 12.024 -0.198 12.756 1.00 0.00 C ATOM 907 CD ARG A 60 11.608 -0.788 14.094 1.00 0.00 C ATOM 908 NE ARG A 60 10.484 -0.067 14.686 1.00 0.00 N ATOM 909 CZ ARG A 60 9.644 -0.606 15.562 1.00 0.00 C ATOM 910 NH1 ARG A 60 9.800 -1.865 15.947 1.00 0.00 N ATOM 911 NH2 ARG A 60 8.646 0.116 16.056 1.00 0.00 N ATOM 0 H ARG A 60 13.049 -0.073 10.692 1.00 0.00 H new ATOM 0 HA ARG A 60 12.356 2.441 11.507 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.947 0.579 13.282 1.00 0.00 H new ATOM 0 HB3 ARG A 60 12.608 1.623 13.717 1.00 0.00 H new ATOM 0 HG2 ARG A 60 11.140 0.141 12.216 1.00 0.00 H new ATOM 0 HG3 ARG A 60 12.493 -0.970 12.146 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.336 -1.835 13.959 1.00 0.00 H new ATOM 0 HD3 ARG A 60 12.455 -0.764 14.780 1.00 0.00 H new ATOM 0 HE ARG A 60 10.336 0.904 14.411 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.567 -2.422 15.570 1.00 0.00 H new ATOM 0 HH12 ARG A 60 9.153 -2.276 16.620 1.00 0.00 H new ATOM 0 HH21 ARG A 60 8.524 1.085 15.763 1.00 0.00 H new ATOM 0 HH22 ARG A 60 8.001 -0.298 16.729 1.00 0.00 H new ATOM 925 N ASN A 61 15.625 1.981 11.754 1.00 0.00 N ATOM 926 CA ASN A 61 16.899 2.679 11.877 1.00 0.00 C ATOM 927 C ASN A 61 16.981 3.840 10.890 1.00 0.00 C ATOM 928 O ASN A 61 17.275 4.974 11.271 1.00 0.00 O ATOM 929 CB ASN A 61 18.060 1.711 11.641 1.00 0.00 C ATOM 930 CG ASN A 61 18.225 0.718 12.776 1.00 0.00 C ATOM 931 OD1 ASN A 61 17.443 0.710 13.727 1.00 0.00 O ATOM 932 ND2 ASN A 61 19.247 -0.125 12.680 1.00 0.00 N ATOM 0 H ASN A 61 15.707 0.972 11.632 1.00 0.00 H new ATOM 0 HA ASN A 61 16.969 3.080 12.888 1.00 0.00 H new ATOM 0 HB2 ASN A 61 17.894 1.170 10.710 1.00 0.00 H new ATOM 0 HB3 ASN A 61 18.983 2.278 11.521 1.00 0.00 H new ATOM 0 HD21 ASN A 61 19.409 -0.816 13.413 1.00 0.00 H new ATOM 0 HD22 ASN A 61 19.870 -0.082 11.873 1.00 0.00 H new ATOM 939 N LEU A 62 16.719 3.549 9.621 1.00 0.00 N ATOM 940 CA LEU A 62 16.762 4.568 8.578 1.00 0.00 C ATOM 941 C LEU A 62 16.298 5.918 9.116 1.00 0.00 C ATOM 942 O LEU A 62 17.012 6.915 9.018 1.00 0.00 O ATOM 943 CB LEU A 62 15.889 4.151 7.394 1.00 0.00 C ATOM 944 CG LEU A 62 16.102 2.730 6.870 1.00 0.00 C ATOM 945 CD1 LEU A 62 15.227 2.474 5.652 1.00 0.00 C ATOM 946 CD2 LEU A 62 17.568 2.501 6.533 1.00 0.00 C ATOM 0 H LEU A 62 16.475 2.616 9.289 1.00 0.00 H new ATOM 0 HA LEU A 62 17.795 4.667 8.243 1.00 0.00 H new ATOM 0 HB2 LEU A 62 14.844 4.257 7.684 1.00 0.00 H new ATOM 0 HB3 LEU A 62 16.065 4.849 6.575 1.00 0.00 H new ATOM 0 HG LEU A 62 15.815 2.027 7.652 1.00 0.00 H new ATOM 0 HD11 LEU A 62 15.392 1.458 5.293 1.00 0.00 H new ATOM 0 HD12 LEU A 62 14.179 2.597 5.925 1.00 0.00 H new ATOM 0 HD13 LEU A 62 15.483 3.183 4.865 1.00 0.00 H new ATOM 0 HD21 LEU A 62 17.702 1.485 6.162 1.00 0.00 H new ATOM 0 HD22 LEU A 62 17.881 3.211 5.767 1.00 0.00 H new ATOM 0 HD23 LEU A 62 18.174 2.643 7.428 1.00 0.00 H new ATOM 958 N GLY A 63 15.098 5.941 9.688 1.00 0.00 N ATOM 959 CA GLY A 63 14.561 7.173 10.235 1.00 0.00 C ATOM 960 C GLY A 63 13.057 7.274 10.068 1.00 0.00 C ATOM 961 O GLY A 63 12.528 7.028 8.984 1.00 0.00 O ATOM 0 H GLY A 63 14.488 5.129 9.782 1.00 0.00 H new ATOM 0 HA2 GLY A 63 14.811 7.236 11.294 1.00 0.00 H new ATOM 0 HA3 GLY A 63 15.036 8.022 9.744 1.00 0.00 H new ATOM 965 N VAL A 64 12.367 7.636 11.144 1.00 0.00 N ATOM 966 CA VAL A 64 10.915 7.769 11.113 1.00 0.00 C ATOM 967 C VAL A 64 10.456 8.480 9.845 1.00 0.00 C ATOM 968 O VAL A 64 9.509 8.049 9.187 1.00 0.00 O ATOM 969 CB VAL A 64 10.395 8.543 12.339 1.00 0.00 C ATOM 970 CG1 VAL A 64 10.707 7.784 13.620 1.00 0.00 C ATOM 971 CG2 VAL A 64 10.993 9.941 12.379 1.00 0.00 C ATOM 0 H VAL A 64 12.790 7.843 12.049 1.00 0.00 H new ATOM 0 HA VAL A 64 10.504 6.759 11.130 1.00 0.00 H new ATOM 0 HB VAL A 64 9.312 8.638 12.255 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.333 8.345 14.476 1.00 0.00 H new ATOM 0 HG12 VAL A 64 10.227 6.806 13.589 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.785 7.656 13.714 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.615 10.474 13.252 1.00 0.00 H new ATOM 0 HG22 VAL A 64 12.079 9.871 12.439 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.714 10.482 11.475 1.00 0.00 H new ATOM 981 N HIS A 65 11.134 9.572 9.507 1.00 0.00 N ATOM 982 CA HIS A 65 10.797 10.344 8.316 1.00 0.00 C ATOM 983 C HIS A 65 10.885 9.477 7.063 1.00 0.00 C ATOM 984 O HIS A 65 10.050 9.580 6.165 1.00 0.00 O ATOM 985 CB HIS A 65 11.728 11.549 8.182 1.00 0.00 C ATOM 986 CG HIS A 65 13.172 11.218 8.402 1.00 0.00 C ATOM 987 ND1 HIS A 65 13.707 10.975 9.649 1.00 0.00 N ATOM 988 CD2 HIS A 65 14.194 11.088 7.524 1.00 0.00 C ATOM 989 CE1 HIS A 65 14.996 10.712 9.529 1.00 0.00 C ATOM 990 NE2 HIS A 65 15.316 10.774 8.249 1.00 0.00 N ATOM 0 H HIS A 65 11.920 9.942 10.041 1.00 0.00 H new ATOM 0 HA HIS A 65 9.771 10.697 8.421 1.00 0.00 H new ATOM 0 HB2 HIS A 65 11.610 11.980 7.188 1.00 0.00 H new ATOM 0 HB3 HIS A 65 11.426 12.313 8.898 1.00 0.00 H new ATOM 0 HD2 HIS A 65 14.137 11.209 6.452 1.00 0.00 H new ATOM 0 HE1 HIS A 65 15.673 10.485 10.339 1.00 0.00 H new ATOM 0 HE2 HIS A 65 16.246 10.614 7.862 1.00 0.00 H new ATOM 998 N ILE A 66 11.903 8.624 7.011 1.00 0.00 N ATOM 999 CA ILE A 66 12.100 7.739 5.869 1.00 0.00 C ATOM 1000 C ILE A 66 11.091 6.596 5.880 1.00 0.00 C ATOM 1001 O ILE A 66 10.371 6.380 4.905 1.00 0.00 O ATOM 1002 CB ILE A 66 13.524 7.153 5.850 1.00 0.00 C ATOM 1003 CG1 ILE A 66 14.560 8.276 5.761 1.00 0.00 C ATOM 1004 CG2 ILE A 66 13.683 6.186 4.687 1.00 0.00 C ATOM 1005 CD1 ILE A 66 15.843 7.974 6.502 1.00 0.00 C ATOM 0 H ILE A 66 12.604 8.527 7.746 1.00 0.00 H new ATOM 0 HA ILE A 66 11.953 8.342 4.973 1.00 0.00 H new ATOM 0 HB ILE A 66 13.688 6.605 6.778 1.00 0.00 H new ATOM 0 HG12 ILE A 66 14.791 8.464 4.712 1.00 0.00 H new ATOM 0 HG13 ILE A 66 14.126 9.192 6.161 1.00 0.00 H new ATOM 0 HG21 ILE A 66 14.695 5.780 4.687 1.00 0.00 H new ATOM 0 HG22 ILE A 66 12.965 5.372 4.790 1.00 0.00 H new ATOM 0 HG23 ILE A 66 13.503 6.712 3.749 1.00 0.00 H new ATOM 0 HD11 ILE A 66 16.531 8.813 6.396 1.00 0.00 H new ATOM 0 HD12 ILE A 66 15.625 7.815 7.558 1.00 0.00 H new ATOM 0 HD13 ILE A 66 16.300 7.076 6.087 1.00 0.00 H new ATOM 1017 N SER A 67 11.044 5.866 6.990 1.00 0.00 N ATOM 1018 CA SER A 67 10.125 4.742 7.127 1.00 0.00 C ATOM 1019 C SER A 67 9.749 4.524 8.590 1.00 0.00 C ATOM 1020 O SER A 67 10.615 4.460 9.462 1.00 0.00 O ATOM 1021 CB SER A 67 10.753 3.470 6.555 1.00 0.00 C ATOM 1022 OG SER A 67 10.025 2.320 6.951 1.00 0.00 O ATOM 0 H SER A 67 11.631 6.033 7.807 1.00 0.00 H new ATOM 0 HA SER A 67 9.219 4.974 6.567 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.779 3.531 5.467 1.00 0.00 H new ATOM 0 HB3 SER A 67 11.785 3.386 6.895 1.00 0.00 H new ATOM 0 HG SER A 67 10.363 1.537 6.468 1.00 0.00 H new ATOM 1028 N ARG A 68 8.450 4.411 8.849 1.00 0.00 N ATOM 1029 CA ARG A 68 7.957 4.201 10.205 1.00 0.00 C ATOM 1030 C ARG A 68 7.325 2.820 10.346 1.00 0.00 C ATOM 1031 O ARG A 68 6.103 2.689 10.419 1.00 0.00 O ATOM 1032 CB ARG A 68 6.938 5.280 10.573 1.00 0.00 C ATOM 1033 CG ARG A 68 7.570 6.590 11.016 1.00 0.00 C ATOM 1034 CD ARG A 68 6.697 7.316 12.027 1.00 0.00 C ATOM 1035 NE ARG A 68 7.004 6.920 13.399 1.00 0.00 N ATOM 1036 CZ ARG A 68 6.280 7.289 14.450 1.00 0.00 C ATOM 1037 NH1 ARG A 68 5.212 8.057 14.287 1.00 0.00 N ATOM 1038 NH2 ARG A 68 6.624 6.888 15.667 1.00 0.00 N ATOM 0 H ARG A 68 7.720 4.461 8.138 1.00 0.00 H new ATOM 0 HA ARG A 68 8.805 4.265 10.887 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.295 5.469 9.713 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.299 4.906 11.373 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.549 6.393 11.454 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.732 7.229 10.148 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.837 8.392 11.920 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.648 7.108 11.816 1.00 0.00 H new ATOM 0 HE ARG A 68 7.819 6.328 13.559 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.944 8.366 13.353 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.658 8.339 15.096 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.445 6.296 15.796 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.068 7.172 16.474 1.00 0.00 H new ATOM 1052 N VAL A 69 8.165 1.790 10.384 1.00 0.00 N ATOM 1053 CA VAL A 69 7.689 0.419 10.517 1.00 0.00 C ATOM 1054 C VAL A 69 6.551 0.328 11.527 1.00 0.00 C ATOM 1055 O VAL A 69 6.648 0.849 12.638 1.00 0.00 O ATOM 1056 CB VAL A 69 8.823 -0.529 10.951 1.00 0.00 C ATOM 1057 CG1 VAL A 69 8.293 -1.942 11.147 1.00 0.00 C ATOM 1058 CG2 VAL A 69 9.951 -0.511 9.931 1.00 0.00 C ATOM 0 H VAL A 69 9.179 1.880 10.324 1.00 0.00 H new ATOM 0 HA VAL A 69 7.325 0.113 9.536 1.00 0.00 H new ATOM 0 HB VAL A 69 9.220 -0.180 11.904 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.108 -2.597 11.453 1.00 0.00 H new ATOM 0 HG12 VAL A 69 7.522 -1.938 11.917 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.869 -2.305 10.211 1.00 0.00 H new ATOM 0 HG21 VAL A 69 10.744 -1.186 10.253 1.00 0.00 H new ATOM 0 HG22 VAL A 69 9.571 -0.834 8.962 1.00 0.00 H new ATOM 0 HG23 VAL A 69 10.348 0.500 9.846 1.00 0.00 H new ATOM 1068 N LYS A 70 5.471 -0.339 11.135 1.00 0.00 N ATOM 1069 CA LYS A 70 4.313 -0.501 12.005 1.00 0.00 C ATOM 1070 C LYS A 70 3.652 -1.858 11.784 1.00 0.00 C ATOM 1071 O LYS A 70 3.394 -2.256 10.648 1.00 0.00 O ATOM 1072 CB LYS A 70 3.300 0.618 11.755 1.00 0.00 C ATOM 1073 CG LYS A 70 1.994 0.437 12.510 1.00 0.00 C ATOM 1074 CD LYS A 70 0.815 0.986 11.724 1.00 0.00 C ATOM 1075 CE LYS A 70 0.554 2.447 12.057 1.00 0.00 C ATOM 1076 NZ LYS A 70 -0.863 2.829 11.806 1.00 0.00 N ATOM 0 H LYS A 70 5.374 -0.777 10.219 1.00 0.00 H new ATOM 0 HA LYS A 70 4.656 -0.447 13.038 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.746 1.571 12.041 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.088 0.673 10.687 1.00 0.00 H new ATOM 0 HG2 LYS A 70 1.835 -0.622 12.715 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.057 0.942 13.474 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.009 0.884 10.656 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.076 0.397 11.943 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.800 2.630 13.103 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.212 3.079 11.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.057 3.752 12.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.030 2.891 10.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.494 2.112 12.217 1.00 0.00 H new ATOM 1090 N SER A 71 3.379 -2.563 12.877 1.00 0.00 N ATOM 1091 CA SER A 71 2.749 -3.877 12.802 1.00 0.00 C ATOM 1092 C SER A 71 1.411 -3.797 12.075 1.00 0.00 C ATOM 1093 O SER A 71 0.751 -2.757 12.076 1.00 0.00 O ATOM 1094 CB SER A 71 2.547 -4.450 14.206 1.00 0.00 C ATOM 1095 OG SER A 71 2.535 -5.867 14.182 1.00 0.00 O ATOM 0 H SER A 71 3.584 -2.247 13.825 1.00 0.00 H new ATOM 0 HA SER A 71 3.409 -4.538 12.240 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.344 -4.101 14.863 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.608 -4.082 14.621 1.00 0.00 H new ATOM 0 HG SER A 71 1.617 -6.184 14.051 1.00 0.00 H new ATOM 1101 N VAL A 72 1.014 -4.904 11.454 1.00 0.00 N ATOM 1102 CA VAL A 72 -0.246 -4.961 10.723 1.00 0.00 C ATOM 1103 C VAL A 72 -1.407 -5.290 11.655 1.00 0.00 C ATOM 1104 O VAL A 72 -2.491 -4.719 11.538 1.00 0.00 O ATOM 1105 CB VAL A 72 -0.194 -6.009 9.596 1.00 0.00 C ATOM 1106 CG1 VAL A 72 -1.336 -5.794 8.614 1.00 0.00 C ATOM 1107 CG2 VAL A 72 1.149 -5.958 8.883 1.00 0.00 C ATOM 0 H VAL A 72 1.547 -5.773 11.443 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.403 -3.975 10.285 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.308 -6.999 10.038 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.283 -6.544 7.825 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.288 -5.885 9.137 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.256 -4.799 8.176 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.168 -6.705 8.090 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.295 -4.967 8.452 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.947 -6.165 9.596 1.00 0.00 H new ATOM 1117 N ASN A 73 -1.172 -6.214 12.581 1.00 0.00 N ATOM 1118 CA ASN A 73 -2.199 -6.620 13.533 1.00 0.00 C ATOM 1119 C ASN A 73 -1.927 -6.026 14.912 1.00 0.00 C ATOM 1120 O ASN A 73 -2.718 -5.232 15.425 1.00 0.00 O ATOM 1121 CB ASN A 73 -2.262 -8.146 13.627 1.00 0.00 C ATOM 1122 CG ASN A 73 -3.547 -8.633 14.268 1.00 0.00 C ATOM 1123 OD1 ASN A 73 -3.782 -8.221 15.509 1.00 0.00 O flip ATOM 1124 ND2 ASN A 73 -4.319 -9.370 13.655 1.00 0.00 N flip ATOM 0 H ASN A 73 -0.280 -6.695 12.692 1.00 0.00 H new ATOM 0 HA ASN A 73 -3.158 -6.244 13.177 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -2.173 -8.573 12.628 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.411 -8.507 14.205 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -4.098 -9.661 12.703 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -5.180 -9.689 14.099 1.00 0.00 H new ATOM 1131 N LEU A 74 -0.805 -6.413 15.507 1.00 0.00 N ATOM 1132 CA LEU A 74 -0.427 -5.918 16.826 1.00 0.00 C ATOM 1133 C LEU A 74 -0.720 -4.427 16.952 1.00 0.00 C ATOM 1134 O LEU A 74 -1.114 -3.949 18.017 1.00 0.00 O ATOM 1135 CB LEU A 74 1.057 -6.182 17.086 1.00 0.00 C ATOM 1136 CG LEU A 74 1.459 -7.647 17.252 1.00 0.00 C ATOM 1137 CD1 LEU A 74 2.965 -7.806 17.113 1.00 0.00 C ATOM 1138 CD2 LEU A 74 0.987 -8.181 18.597 1.00 0.00 C ATOM 0 H LEU A 74 -0.140 -7.069 15.097 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.020 -6.450 17.570 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.631 -5.760 16.261 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.349 -5.642 17.986 1.00 0.00 H new ATOM 0 HG LEU A 74 0.978 -8.227 16.464 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.233 -8.856 17.234 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.278 -7.463 16.127 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.466 -7.213 17.879 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.282 -9.225 18.698 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.439 -7.597 19.399 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.098 -8.103 18.659 1.00 0.00 H new ATOM 1150 N ASP A 75 -0.528 -3.697 15.859 1.00 0.00 N ATOM 1151 CA ASP A 75 -0.775 -2.260 15.846 1.00 0.00 C ATOM 1152 C ASP A 75 -2.071 -1.937 15.109 1.00 0.00 C ATOM 1153 O ASP A 75 -2.540 -2.724 14.287 1.00 0.00 O ATOM 1154 CB ASP A 75 0.395 -1.525 15.190 1.00 0.00 C ATOM 1155 CG ASP A 75 1.457 -1.117 16.192 1.00 0.00 C ATOM 1156 OD1 ASP A 75 1.912 -1.988 16.963 1.00 0.00 O ATOM 1157 OD2 ASP A 75 1.835 0.073 16.204 1.00 0.00 O ATOM 0 H ASP A 75 -0.202 -4.077 14.970 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.872 -1.925 16.879 1.00 0.00 H new ATOM 0 HB2 ASP A 75 0.843 -2.166 14.431 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.022 -0.638 14.679 1.00 0.00 H new ATOM 1162 N GLN A 76 -2.645 -0.777 15.410 1.00 0.00 N ATOM 1163 CA GLN A 76 -3.888 -0.353 14.777 1.00 0.00 C ATOM 1164 C GLN A 76 -3.609 0.575 13.599 1.00 0.00 C ATOM 1165 O GLN A 76 -2.574 1.239 13.551 1.00 0.00 O ATOM 1166 CB GLN A 76 -4.788 0.351 15.794 1.00 0.00 C ATOM 1167 CG GLN A 76 -5.454 -0.598 16.777 1.00 0.00 C ATOM 1168 CD GLN A 76 -6.399 -1.572 16.099 1.00 0.00 C ATOM 1169 OE1 GLN A 76 -6.613 -1.505 14.888 1.00 0.00 O ATOM 1170 NE2 GLN A 76 -6.969 -2.483 16.878 1.00 0.00 N ATOM 0 H GLN A 76 -2.269 -0.114 16.088 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.398 -1.241 14.404 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -4.195 1.078 16.349 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.558 0.908 15.261 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -4.687 -1.156 17.314 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.005 -0.019 17.518 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.762 -2.501 17.877 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.614 -3.165 16.478 1.00 0.00 H new ATOM 1179 N TRP A 77 -4.539 0.614 12.651 1.00 0.00 N ATOM 1180 CA TRP A 77 -4.393 1.461 11.472 1.00 0.00 C ATOM 1181 C TRP A 77 -5.576 2.413 11.336 1.00 0.00 C ATOM 1182 O TRP A 77 -6.447 2.467 12.205 1.00 0.00 O ATOM 1183 CB TRP A 77 -4.268 0.600 10.214 1.00 0.00 C ATOM 1184 CG TRP A 77 -2.958 -0.122 10.116 1.00 0.00 C ATOM 1185 CD1 TRP A 77 -2.368 -0.884 11.083 1.00 0.00 C ATOM 1186 CD2 TRP A 77 -2.076 -0.147 8.988 1.00 0.00 C ATOM 1187 NE1 TRP A 77 -1.172 -1.382 10.625 1.00 0.00 N ATOM 1188 CE2 TRP A 77 -0.970 -0.945 9.342 1.00 0.00 C ATOM 1189 CE3 TRP A 77 -2.113 0.425 7.714 1.00 0.00 C ATOM 1190 CZ2 TRP A 77 0.087 -1.182 8.468 1.00 0.00 C ATOM 1191 CZ3 TRP A 77 -1.063 0.189 6.847 1.00 0.00 C ATOM 1192 CH2 TRP A 77 0.024 -0.609 7.226 1.00 0.00 C ATOM 0 H TRP A 77 -5.401 0.070 12.675 1.00 0.00 H new ATOM 0 HA TRP A 77 -3.486 2.054 11.590 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -5.078 -0.129 10.199 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -4.392 1.233 9.335 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -2.781 -1.068 12.064 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -0.537 -1.980 11.154 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -2.947 1.041 7.412 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 0.927 -1.796 8.759 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -1.081 0.627 5.860 1.00 0.00 H new ATOM 0 HH2 TRP A 77 0.828 -0.776 6.525 1.00 0.00 H new ATOM 1203 N THR A 78 -5.602 3.165 10.240 1.00 0.00 N ATOM 1204 CA THR A 78 -6.677 4.116 9.991 1.00 0.00 C ATOM 1205 C THR A 78 -6.984 4.222 8.502 1.00 0.00 C ATOM 1206 O THR A 78 -6.099 4.059 7.663 1.00 0.00 O ATOM 1207 CB THR A 78 -6.326 5.515 10.531 1.00 0.00 C ATOM 1208 OG1 THR A 78 -5.081 5.956 9.979 1.00 0.00 O ATOM 1209 CG2 THR A 78 -6.236 5.502 12.050 1.00 0.00 C ATOM 0 H THR A 78 -4.890 3.133 9.510 1.00 0.00 H new ATOM 0 HA THR A 78 -7.557 3.742 10.515 1.00 0.00 H new ATOM 0 HB THR A 78 -7.118 6.203 10.235 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.866 6.847 10.326 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.987 6.501 12.408 1.00 0.00 H new ATOM 0 HG22 THR A 78 -7.194 5.195 12.469 1.00 0.00 H new ATOM 0 HG23 THR A 78 -5.462 4.801 12.363 1.00 0.00 H new ATOM 1217 N ALA A 79 -8.245 4.496 8.180 1.00 0.00 N ATOM 1218 CA ALA A 79 -8.667 4.625 6.791 1.00 0.00 C ATOM 1219 C ALA A 79 -7.664 5.445 5.986 1.00 0.00 C ATOM 1220 O ALA A 79 -7.236 5.033 4.908 1.00 0.00 O ATOM 1221 CB ALA A 79 -10.049 5.258 6.717 1.00 0.00 C ATOM 0 H ALA A 79 -8.991 4.633 8.862 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.712 3.626 6.356 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.352 5.349 5.674 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.765 4.632 7.250 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.021 6.247 7.174 1.00 0.00 H new ATOM 1227 N GLU A 80 -7.295 6.606 6.517 1.00 0.00 N ATOM 1228 CA GLU A 80 -6.343 7.484 5.845 1.00 0.00 C ATOM 1229 C GLU A 80 -5.108 6.707 5.398 1.00 0.00 C ATOM 1230 O GLU A 80 -4.664 6.831 4.258 1.00 0.00 O ATOM 1231 CB GLU A 80 -5.930 8.629 6.772 1.00 0.00 C ATOM 1232 CG GLU A 80 -4.812 9.493 6.212 1.00 0.00 C ATOM 1233 CD GLU A 80 -4.782 10.879 6.826 1.00 0.00 C ATOM 1234 OE1 GLU A 80 -5.788 11.607 6.697 1.00 0.00 O ATOM 1235 OE2 GLU A 80 -3.752 11.234 7.436 1.00 0.00 O ATOM 0 H GLU A 80 -7.640 6.961 7.409 1.00 0.00 H new ATOM 0 HA GLU A 80 -6.830 7.898 4.962 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -6.799 9.257 6.969 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -5.613 8.214 7.729 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -3.855 9.001 6.388 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.932 9.581 5.132 1.00 0.00 H new ATOM 1242 N GLN A 81 -4.559 5.906 6.307 1.00 0.00 N ATOM 1243 CA GLN A 81 -3.375 5.110 6.006 1.00 0.00 C ATOM 1244 C GLN A 81 -3.719 3.954 5.072 1.00 0.00 C ATOM 1245 O GLN A 81 -2.971 3.653 4.142 1.00 0.00 O ATOM 1246 CB GLN A 81 -2.757 4.570 7.297 1.00 0.00 C ATOM 1247 CG GLN A 81 -2.262 5.659 8.236 1.00 0.00 C ATOM 1248 CD GLN A 81 -2.097 5.170 9.661 1.00 0.00 C ATOM 1249 OE1 GLN A 81 -2.718 4.188 10.069 1.00 0.00 O ATOM 1250 NE2 GLN A 81 -1.256 5.854 10.428 1.00 0.00 N ATOM 0 H GLN A 81 -4.915 5.792 7.256 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.652 5.755 5.506 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -3.497 3.962 7.817 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -1.925 3.913 7.045 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -1.307 6.039 7.874 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -2.964 6.493 8.221 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -0.762 6.662 10.049 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -1.104 5.571 11.396 1.00 0.00 H new ATOM 1259 N ILE A 82 -4.854 3.312 5.326 1.00 0.00 N ATOM 1260 CA ILE A 82 -5.296 2.190 4.507 1.00 0.00 C ATOM 1261 C ILE A 82 -5.262 2.545 3.024 1.00 0.00 C ATOM 1262 O ILE A 82 -4.555 1.911 2.241 1.00 0.00 O ATOM 1263 CB ILE A 82 -6.721 1.745 4.884 1.00 0.00 C ATOM 1264 CG1 ILE A 82 -6.733 1.130 6.285 1.00 0.00 C ATOM 1265 CG2 ILE A 82 -7.255 0.754 3.860 1.00 0.00 C ATOM 1266 CD1 ILE A 82 -5.711 0.031 6.471 1.00 0.00 C ATOM 0 H ILE A 82 -5.484 3.549 6.092 1.00 0.00 H new ATOM 0 HA ILE A 82 -4.605 1.369 4.698 1.00 0.00 H new ATOM 0 HB ILE A 82 -7.370 2.620 4.886 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -6.549 1.914 7.019 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.726 0.730 6.489 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -8.263 0.449 4.140 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -7.278 1.224 2.877 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -6.606 -0.122 3.828 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -5.776 -0.359 7.487 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -5.907 -0.772 5.761 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.712 0.431 6.299 1.00 0.00 H new ATOM 1278 N GLN A 83 -6.028 3.563 2.648 1.00 0.00 N ATOM 1279 CA GLN A 83 -6.084 4.003 1.259 1.00 0.00 C ATOM 1280 C GLN A 83 -4.690 4.035 0.641 1.00 0.00 C ATOM 1281 O GLN A 83 -4.498 3.620 -0.503 1.00 0.00 O ATOM 1282 CB GLN A 83 -6.727 5.388 1.166 1.00 0.00 C ATOM 1283 CG GLN A 83 -7.325 5.691 -0.199 1.00 0.00 C ATOM 1284 CD GLN A 83 -8.551 4.852 -0.499 1.00 0.00 C ATOM 1285 OE1 GLN A 83 -8.466 3.630 -0.623 1.00 0.00 O ATOM 1286 NE2 GLN A 83 -9.701 5.505 -0.618 1.00 0.00 N ATOM 0 H GLN A 83 -6.618 4.098 3.285 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.692 3.289 0.703 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -7.508 5.468 1.922 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -5.978 6.144 1.401 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -7.591 6.747 -0.248 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -6.573 5.516 -0.968 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -9.726 6.519 -0.507 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -10.560 4.993 -0.820 1.00 0.00 H new ATOM 1295 N CYS A 84 -3.722 4.528 1.404 1.00 0.00 N ATOM 1296 CA CYS A 84 -2.344 4.615 0.930 1.00 0.00 C ATOM 1297 C CYS A 84 -1.823 3.242 0.520 1.00 0.00 C ATOM 1298 O CYS A 84 -1.302 3.069 -0.581 1.00 0.00 O ATOM 1299 CB CYS A 84 -1.447 5.211 2.016 1.00 0.00 C ATOM 1300 SG CYS A 84 0.201 5.678 1.436 1.00 0.00 S ATOM 0 H CYS A 84 -3.864 4.874 2.353 1.00 0.00 H new ATOM 0 HA CYS A 84 -2.326 5.266 0.056 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -1.936 6.091 2.434 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -1.345 4.488 2.825 1.00 0.00 H new ATOM 0 HG CYS A 84 0.885 6.174 2.424 1.00 0.00 H new ATOM 1306 N MET A 85 -1.967 2.269 1.414 1.00 0.00 N ATOM 1307 CA MET A 85 -1.510 0.910 1.144 1.00 0.00 C ATOM 1308 C MET A 85 -1.899 0.476 -0.266 1.00 0.00 C ATOM 1309 O MET A 85 -1.044 0.093 -1.064 1.00 0.00 O ATOM 1310 CB MET A 85 -2.097 -0.061 2.170 1.00 0.00 C ATOM 1311 CG MET A 85 -1.451 0.040 3.542 1.00 0.00 C ATOM 1312 SD MET A 85 0.342 -0.142 3.481 1.00 0.00 S ATOM 1313 CE MET A 85 0.494 -1.729 2.664 1.00 0.00 C ATOM 0 H MET A 85 -2.396 2.396 2.331 1.00 0.00 H new ATOM 0 HA MET A 85 -0.423 0.896 1.222 1.00 0.00 H new ATOM 0 HB2 MET A 85 -3.166 0.128 2.266 1.00 0.00 H new ATOM 0 HB3 MET A 85 -1.985 -1.080 1.799 1.00 0.00 H new ATOM 0 HG2 MET A 85 -1.699 1.004 3.986 1.00 0.00 H new ATOM 0 HG3 MET A 85 -1.868 -0.728 4.193 1.00 0.00 H new ATOM 0 HE1 MET A 85 1.274 -2.315 3.150 1.00 0.00 H new ATOM 0 HE2 MET A 85 -0.454 -2.263 2.728 1.00 0.00 H new ATOM 0 HE3 MET A 85 0.754 -1.576 1.617 1.00 0.00 H new ATOM 1323 N GLN A 86 -3.192 0.538 -0.564 1.00 0.00 N ATOM 1324 CA GLN A 86 -3.693 0.150 -1.877 1.00 0.00 C ATOM 1325 C GLN A 86 -3.127 1.057 -2.965 1.00 0.00 C ATOM 1326 O GLN A 86 -2.712 0.587 -4.025 1.00 0.00 O ATOM 1327 CB GLN A 86 -5.221 0.199 -1.899 1.00 0.00 C ATOM 1328 CG GLN A 86 -5.873 -0.641 -0.812 1.00 0.00 C ATOM 1329 CD GLN A 86 -6.119 0.142 0.462 1.00 0.00 C ATOM 1330 OE1 GLN A 86 -5.445 -0.250 1.538 1.00 0.00 O flip ATOM 1331 NE2 GLN A 86 -6.905 1.090 0.481 1.00 0.00 N flip ATOM 0 H GLN A 86 -3.912 0.853 0.086 1.00 0.00 H new ATOM 0 HA GLN A 86 -3.367 -0.871 -2.075 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -5.545 1.234 -1.790 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -5.573 -0.144 -2.872 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -6.820 -1.034 -1.181 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -5.237 -1.498 -0.590 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -7.402 1.357 -0.369 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -7.059 1.608 1.346 1.00 0.00 H new ATOM 1340 N ASP A 87 -3.115 2.357 -2.696 1.00 0.00 N ATOM 1341 CA ASP A 87 -2.599 3.331 -3.652 1.00 0.00 C ATOM 1342 C ASP A 87 -1.206 2.937 -4.131 1.00 0.00 C ATOM 1343 O ASP A 87 -1.007 2.625 -5.305 1.00 0.00 O ATOM 1344 CB ASP A 87 -2.561 4.724 -3.023 1.00 0.00 C ATOM 1345 CG ASP A 87 -3.932 5.367 -2.955 1.00 0.00 C ATOM 1346 OD1 ASP A 87 -4.722 5.184 -3.905 1.00 0.00 O ATOM 1347 OD2 ASP A 87 -4.217 6.051 -1.950 1.00 0.00 O ATOM 0 H ASP A 87 -3.456 2.762 -1.824 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.268 3.348 -4.513 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -2.146 4.654 -2.018 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -1.892 5.362 -3.601 1.00 0.00 H new ATOM 1352 N MET A 88 -0.244 2.954 -3.215 1.00 0.00 N ATOM 1353 CA MET A 88 1.132 2.598 -3.544 1.00 0.00 C ATOM 1354 C MET A 88 1.276 1.089 -3.718 1.00 0.00 C ATOM 1355 O MET A 88 1.484 0.600 -4.827 1.00 0.00 O ATOM 1356 CB MET A 88 2.084 3.091 -2.453 1.00 0.00 C ATOM 1357 CG MET A 88 3.552 2.884 -2.788 1.00 0.00 C ATOM 1358 SD MET A 88 4.246 4.249 -3.740 1.00 0.00 S ATOM 1359 CE MET A 88 5.383 3.371 -4.811 1.00 0.00 C ATOM 0 H MET A 88 -0.391 3.210 -2.239 1.00 0.00 H new ATOM 0 HA MET A 88 1.391 3.081 -4.486 1.00 0.00 H new ATOM 0 HB2 MET A 88 1.906 4.152 -2.279 1.00 0.00 H new ATOM 0 HB3 MET A 88 1.856 2.573 -1.522 1.00 0.00 H new ATOM 0 HG2 MET A 88 4.118 2.765 -1.864 1.00 0.00 H new ATOM 0 HG3 MET A 88 3.665 1.958 -3.352 1.00 0.00 H new ATOM 0 HE1 MET A 88 5.730 4.039 -5.599 1.00 0.00 H new ATOM 0 HE2 MET A 88 6.236 3.022 -4.229 1.00 0.00 H new ATOM 0 HE3 MET A 88 4.875 2.516 -5.258 1.00 0.00 H new ATOM 1369 N GLY A 89 1.166 0.357 -2.613 1.00 0.00 N ATOM 1370 CA GLY A 89 1.287 -1.088 -2.666 1.00 0.00 C ATOM 1371 C GLY A 89 2.635 -1.537 -3.193 1.00 0.00 C ATOM 1372 O GLY A 89 3.448 -0.717 -3.619 1.00 0.00 O ATOM 0 H GLY A 89 0.995 0.739 -1.683 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.135 -1.499 -1.668 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.499 -1.493 -3.301 1.00 0.00 H new ATOM 1376 N ASN A 90 2.875 -2.844 -3.164 1.00 0.00 N ATOM 1377 CA ASN A 90 4.135 -3.402 -3.641 1.00 0.00 C ATOM 1378 C ASN A 90 4.263 -3.241 -5.153 1.00 0.00 C ATOM 1379 O ASN A 90 5.320 -2.868 -5.662 1.00 0.00 O ATOM 1380 CB ASN A 90 4.238 -4.881 -3.264 1.00 0.00 C ATOM 1381 CG ASN A 90 4.286 -5.092 -1.763 1.00 0.00 C ATOM 1382 OD1 ASN A 90 3.649 -4.364 -1.002 1.00 0.00 O ATOM 1383 ND2 ASN A 90 5.043 -6.094 -1.331 1.00 0.00 N ATOM 0 H ASN A 90 2.213 -3.537 -2.815 1.00 0.00 H new ATOM 0 HA ASN A 90 4.949 -2.855 -3.165 1.00 0.00 H new ATOM 0 HB2 ASN A 90 3.385 -5.419 -3.677 1.00 0.00 H new ATOM 0 HB3 ASN A 90 5.133 -5.307 -3.717 1.00 0.00 H new ATOM 0 HD21 ASN A 90 5.114 -6.286 -0.332 1.00 0.00 H new ATOM 0 HD22 ASN A 90 5.554 -6.672 -1.999 1.00 0.00 H new ATOM 1390 N THR A 91 3.178 -3.525 -5.867 1.00 0.00 N ATOM 1391 CA THR A 91 3.168 -3.413 -7.320 1.00 0.00 C ATOM 1392 C THR A 91 3.959 -2.195 -7.783 1.00 0.00 C ATOM 1393 O THR A 91 5.012 -2.326 -8.408 1.00 0.00 O ATOM 1394 CB THR A 91 1.732 -3.317 -7.867 1.00 0.00 C ATOM 1395 OG1 THR A 91 0.980 -4.471 -7.475 1.00 0.00 O ATOM 1396 CG2 THR A 91 1.736 -3.198 -9.383 1.00 0.00 C ATOM 0 H THR A 91 2.294 -3.834 -5.462 1.00 0.00 H new ATOM 0 HA THR A 91 3.637 -4.317 -7.709 1.00 0.00 H new ATOM 0 HB THR A 91 1.268 -2.423 -7.451 1.00 0.00 H new ATOM 0 HG1 THR A 91 0.067 -4.401 -7.825 1.00 0.00 H new ATOM 0 HG21 THR A 91 0.710 -3.132 -9.745 1.00 0.00 H new ATOM 0 HG22 THR A 91 2.283 -2.302 -9.676 1.00 0.00 H new ATOM 0 HG23 THR A 91 2.218 -4.075 -9.816 1.00 0.00 H new ATOM 1404 N LYS A 92 3.446 -1.010 -7.473 1.00 0.00 N ATOM 1405 CA LYS A 92 4.105 0.234 -7.855 1.00 0.00 C ATOM 1406 C LYS A 92 5.497 0.323 -7.238 1.00 0.00 C ATOM 1407 O LYS A 92 6.480 0.573 -7.936 1.00 0.00 O ATOM 1408 CB LYS A 92 3.264 1.436 -7.418 1.00 0.00 C ATOM 1409 CG LYS A 92 2.038 1.667 -8.284 1.00 0.00 C ATOM 1410 CD LYS A 92 1.084 2.664 -7.647 1.00 0.00 C ATOM 1411 CE LYS A 92 0.148 3.277 -8.676 1.00 0.00 C ATOM 1412 NZ LYS A 92 -0.362 4.606 -8.240 1.00 0.00 N ATOM 0 H LYS A 92 2.575 -0.884 -6.958 1.00 0.00 H new ATOM 0 HA LYS A 92 4.206 0.245 -8.940 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.947 1.291 -6.385 1.00 0.00 H new ATOM 0 HB3 LYS A 92 3.886 2.331 -7.438 1.00 0.00 H new ATOM 0 HG2 LYS A 92 2.347 2.033 -9.263 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.522 0.721 -8.445 1.00 0.00 H new ATOM 0 HD2 LYS A 92 0.500 2.166 -6.873 1.00 0.00 H new ATOM 0 HD3 LYS A 92 1.655 3.453 -7.157 1.00 0.00 H new ATOM 0 HE2 LYS A 92 0.672 3.383 -9.626 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -0.692 2.604 -8.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -0.997 4.990 -8.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -0.884 4.501 -7.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 0.438 5.256 -8.100 1.00 0.00 H new ATOM 1426 N ALA A 93 5.574 0.117 -5.928 1.00 0.00 N ATOM 1427 CA ALA A 93 6.846 0.171 -5.219 1.00 0.00 C ATOM 1428 C ALA A 93 7.952 -0.505 -6.023 1.00 0.00 C ATOM 1429 O ALA A 93 9.083 -0.023 -6.068 1.00 0.00 O ATOM 1430 CB ALA A 93 6.715 -0.478 -3.849 1.00 0.00 C ATOM 0 H ALA A 93 4.770 -0.089 -5.336 1.00 0.00 H new ATOM 0 HA ALA A 93 7.116 1.219 -5.088 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.673 -0.430 -3.331 1.00 0.00 H new ATOM 0 HB2 ALA A 93 5.961 0.051 -3.267 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.418 -1.520 -3.967 1.00 0.00 H new ATOM 1436 N ARG A 94 7.617 -1.625 -6.656 1.00 0.00 N ATOM 1437 CA ARG A 94 8.582 -2.368 -7.456 1.00 0.00 C ATOM 1438 C ARG A 94 8.914 -1.618 -8.743 1.00 0.00 C ATOM 1439 O ARG A 94 10.078 -1.514 -9.132 1.00 0.00 O ATOM 1440 CB ARG A 94 8.037 -3.758 -7.790 1.00 0.00 C ATOM 1441 CG ARG A 94 8.935 -4.557 -8.721 1.00 0.00 C ATOM 1442 CD ARG A 94 8.393 -5.959 -8.951 1.00 0.00 C ATOM 1443 NE ARG A 94 9.139 -6.672 -9.984 1.00 0.00 N ATOM 1444 CZ ARG A 94 9.183 -7.996 -10.077 1.00 0.00 C ATOM 1445 NH1 ARG A 94 8.527 -8.747 -9.204 1.00 0.00 N ATOM 1446 NH2 ARG A 94 9.885 -8.571 -11.046 1.00 0.00 N ATOM 0 H ARG A 94 6.684 -2.037 -6.630 1.00 0.00 H new ATOM 0 HA ARG A 94 9.496 -2.474 -6.871 1.00 0.00 H new ATOM 0 HB2 ARG A 94 7.899 -4.317 -6.864 1.00 0.00 H new ATOM 0 HB3 ARG A 94 7.054 -3.653 -8.249 1.00 0.00 H new ATOM 0 HG2 ARG A 94 9.024 -4.039 -9.676 1.00 0.00 H new ATOM 0 HG3 ARG A 94 9.937 -4.618 -8.297 1.00 0.00 H new ATOM 0 HD2 ARG A 94 8.437 -6.522 -8.019 1.00 0.00 H new ATOM 0 HD3 ARG A 94 7.343 -5.899 -9.238 1.00 0.00 H new ATOM 0 HE ARG A 94 9.655 -6.123 -10.672 1.00 0.00 H new ATOM 0 HH11 ARG A 94 7.987 -8.308 -8.458 1.00 0.00 H new ATOM 0 HH12 ARG A 94 8.562 -9.764 -9.278 1.00 0.00 H new ATOM 0 HH21 ARG A 94 10.391 -7.996 -11.720 1.00 0.00 H new ATOM 0 HH22 ARG A 94 9.918 -9.588 -11.117 1.00 0.00 H new ATOM 1460 N LEU A 95 7.884 -1.096 -9.400 1.00 0.00 N ATOM 1461 CA LEU A 95 8.065 -0.355 -10.643 1.00 0.00 C ATOM 1462 C LEU A 95 8.733 0.991 -10.382 1.00 0.00 C ATOM 1463 O LEU A 95 9.117 1.697 -11.316 1.00 0.00 O ATOM 1464 CB LEU A 95 6.717 -0.142 -11.334 1.00 0.00 C ATOM 1465 CG LEU A 95 5.866 -1.395 -11.546 1.00 0.00 C ATOM 1466 CD1 LEU A 95 4.468 -1.019 -12.012 1.00 0.00 C ATOM 1467 CD2 LEU A 95 6.531 -2.329 -12.547 1.00 0.00 C ATOM 0 H LEU A 95 6.915 -1.172 -9.092 1.00 0.00 H new ATOM 0 HA LEU A 95 8.712 -0.941 -11.295 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.139 0.571 -10.746 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.898 0.319 -12.305 1.00 0.00 H new ATOM 0 HG LEU A 95 5.780 -1.918 -10.593 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.877 -1.924 -12.157 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.990 -0.391 -11.260 1.00 0.00 H new ATOM 0 HD13 LEU A 95 4.533 -0.473 -12.953 1.00 0.00 H new ATOM 0 HD21 LEU A 95 5.911 -3.215 -12.685 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.648 -1.816 -13.501 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.510 -2.626 -12.172 1.00 0.00 H new ATOM 1479 N LEU A 96 8.871 1.340 -9.108 1.00 0.00 N ATOM 1480 CA LEU A 96 9.496 2.601 -8.723 1.00 0.00 C ATOM 1481 C LEU A 96 10.887 2.365 -8.144 1.00 0.00 C ATOM 1482 O LEU A 96 11.889 2.802 -8.712 1.00 0.00 O ATOM 1483 CB LEU A 96 8.624 3.335 -7.702 1.00 0.00 C ATOM 1484 CG LEU A 96 8.904 4.828 -7.530 1.00 0.00 C ATOM 1485 CD1 LEU A 96 10.347 5.055 -7.107 1.00 0.00 C ATOM 1486 CD2 LEU A 96 8.599 5.580 -8.817 1.00 0.00 C ATOM 0 H LEU A 96 8.559 0.768 -8.324 1.00 0.00 H new ATOM 0 HA LEU A 96 9.594 3.217 -9.617 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.580 3.213 -7.991 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.746 2.849 -6.734 1.00 0.00 H new ATOM 0 HG LEU A 96 8.252 5.212 -6.745 1.00 0.00 H new ATOM 0 HD11 LEU A 96 10.528 6.123 -6.989 1.00 0.00 H new ATOM 0 HD12 LEU A 96 10.532 4.549 -6.159 1.00 0.00 H new ATOM 0 HD13 LEU A 96 11.017 4.655 -7.869 1.00 0.00 H new ATOM 0 HD21 LEU A 96 8.804 6.641 -8.676 1.00 0.00 H new ATOM 0 HD22 LEU A 96 9.225 5.193 -9.621 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.549 5.445 -9.077 1.00 0.00 H new ATOM 1498 N TYR A 97 10.942 1.671 -7.013 1.00 0.00 N ATOM 1499 CA TYR A 97 12.210 1.377 -6.357 1.00 0.00 C ATOM 1500 C TYR A 97 12.980 0.301 -7.117 1.00 0.00 C ATOM 1501 O TYR A 97 14.182 0.428 -7.346 1.00 0.00 O ATOM 1502 CB TYR A 97 11.970 0.926 -4.915 1.00 0.00 C ATOM 1503 CG TYR A 97 11.469 2.030 -4.011 1.00 0.00 C ATOM 1504 CD1 TYR A 97 12.348 2.945 -3.447 1.00 0.00 C ATOM 1505 CD2 TYR A 97 10.116 2.157 -3.723 1.00 0.00 C ATOM 1506 CE1 TYR A 97 11.895 3.954 -2.620 1.00 0.00 C ATOM 1507 CE2 TYR A 97 9.653 3.164 -2.898 1.00 0.00 C ATOM 1508 CZ TYR A 97 10.547 4.060 -2.348 1.00 0.00 C ATOM 1509 OH TYR A 97 10.091 5.065 -1.526 1.00 0.00 O ATOM 0 H TYR A 97 10.123 1.301 -6.531 1.00 0.00 H new ATOM 0 HA TYR A 97 12.807 2.289 -6.351 1.00 0.00 H new ATOM 0 HB2 TYR A 97 11.247 0.110 -4.914 1.00 0.00 H new ATOM 0 HB3 TYR A 97 12.900 0.528 -4.508 1.00 0.00 H new ATOM 0 HD1 TYR A 97 13.404 2.866 -3.659 1.00 0.00 H new ATOM 0 HD2 TYR A 97 9.414 1.457 -4.151 1.00 0.00 H new ATOM 0 HE1 TYR A 97 12.593 4.656 -2.188 1.00 0.00 H new ATOM 0 HE2 TYR A 97 8.598 3.249 -2.685 1.00 0.00 H new ATOM 0 HH TYR A 97 9.117 4.999 -1.438 1.00 0.00 H new ATOM 1519 N GLU A 98 12.276 -0.758 -7.505 1.00 0.00 N ATOM 1520 CA GLU A 98 12.893 -1.857 -8.239 1.00 0.00 C ATOM 1521 C GLU A 98 12.851 -1.598 -9.742 1.00 0.00 C ATOM 1522 O GLU A 98 12.691 -2.523 -10.538 1.00 0.00 O ATOM 1523 CB GLU A 98 12.185 -3.175 -7.918 1.00 0.00 C ATOM 1524 CG GLU A 98 12.606 -3.784 -6.591 1.00 0.00 C ATOM 1525 CD GLU A 98 11.677 -4.894 -6.138 1.00 0.00 C ATOM 1526 OE1 GLU A 98 11.814 -6.027 -6.644 1.00 0.00 O ATOM 1527 OE2 GLU A 98 10.812 -4.629 -5.277 1.00 0.00 O ATOM 0 H GLU A 98 11.279 -0.878 -7.324 1.00 0.00 H new ATOM 0 HA GLU A 98 13.935 -1.928 -7.928 1.00 0.00 H new ATOM 0 HB2 GLU A 98 11.108 -3.006 -7.905 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.386 -3.890 -8.716 1.00 0.00 H new ATOM 0 HG2 GLU A 98 13.619 -4.177 -6.681 1.00 0.00 H new ATOM 0 HG3 GLU A 98 12.633 -3.004 -5.830 1.00 0.00 H new ATOM 1534 N ALA A 99 12.997 -0.333 -10.123 1.00 0.00 N ATOM 1535 CA ALA A 99 12.977 0.048 -11.530 1.00 0.00 C ATOM 1536 C ALA A 99 14.389 0.302 -12.049 1.00 0.00 C ATOM 1537 O ALA A 99 14.746 -0.136 -13.141 1.00 0.00 O ATOM 1538 CB ALA A 99 12.109 1.281 -11.731 1.00 0.00 C ATOM 0 H ALA A 99 13.130 0.445 -9.477 1.00 0.00 H new ATOM 0 HA ALA A 99 12.551 -0.778 -12.099 1.00 0.00 H new ATOM 0 HB1 ALA A 99 12.103 1.554 -12.786 1.00 0.00 H new ATOM 0 HB2 ALA A 99 11.091 1.066 -11.406 1.00 0.00 H new ATOM 0 HB3 ALA A 99 12.510 2.108 -11.145 1.00 0.00 H new ATOM 1544 N ASN A 100 15.186 1.014 -11.259 1.00 0.00 N ATOM 1545 CA ASN A 100 16.558 1.328 -11.640 1.00 0.00 C ATOM 1546 C ASN A 100 17.494 0.172 -11.300 1.00 0.00 C ATOM 1547 O ASN A 100 18.710 0.351 -11.206 1.00 0.00 O ATOM 1548 CB ASN A 100 17.026 2.603 -10.936 1.00 0.00 C ATOM 1549 CG ASN A 100 16.665 3.856 -11.709 1.00 0.00 C ATOM 1550 OD1 ASN A 100 15.633 4.556 -11.253 1.00 0.00 O flip ATOM 1551 ND2 ASN A 100 17.307 4.191 -12.705 1.00 0.00 N flip ATOM 0 H ASN A 100 14.905 1.384 -10.351 1.00 0.00 H new ATOM 0 HA ASN A 100 16.583 1.487 -12.718 1.00 0.00 H new ATOM 0 HB2 ASN A 100 16.580 2.651 -9.943 1.00 0.00 H new ATOM 0 HB3 ASN A 100 18.107 2.563 -10.798 1.00 0.00 H new ATOM 0 HD21 ASN A 100 18.093 3.623 -13.020 1.00 0.00 H new ATOM 0 HD22 ASN A 100 17.053 5.037 -13.215 1.00 0.00 H new ATOM 1558 N LEU A 101 16.921 -1.012 -11.116 1.00 0.00 N ATOM 1559 CA LEU A 101 17.704 -2.198 -10.787 1.00 0.00 C ATOM 1560 C LEU A 101 18.416 -2.741 -12.022 1.00 0.00 C ATOM 1561 O LEU A 101 17.887 -2.717 -13.134 1.00 0.00 O ATOM 1562 CB LEU A 101 16.803 -3.279 -10.188 1.00 0.00 C ATOM 1563 CG LEU A 101 16.462 -3.123 -8.705 1.00 0.00 C ATOM 1564 CD1 LEU A 101 15.493 -4.208 -8.263 1.00 0.00 C ATOM 1565 CD2 LEU A 101 17.728 -3.160 -7.861 1.00 0.00 C ATOM 0 H LEU A 101 15.917 -1.177 -11.189 1.00 0.00 H new ATOM 0 HA LEU A 101 18.457 -1.913 -10.052 1.00 0.00 H new ATOM 0 HB2 LEU A 101 15.872 -3.302 -10.754 1.00 0.00 H new ATOM 0 HB3 LEU A 101 17.286 -4.246 -10.329 1.00 0.00 H new ATOM 0 HG LEU A 101 15.981 -2.155 -8.562 1.00 0.00 H new ATOM 0 HD11 LEU A 101 15.262 -4.081 -7.205 1.00 0.00 H new ATOM 0 HD12 LEU A 101 14.575 -4.136 -8.846 1.00 0.00 H new ATOM 0 HD13 LEU A 101 15.946 -5.187 -8.420 1.00 0.00 H new ATOM 0 HD21 LEU A 101 17.467 -3.048 -6.809 1.00 0.00 H new ATOM 0 HD22 LEU A 101 18.236 -4.113 -8.009 1.00 0.00 H new ATOM 0 HD23 LEU A 101 18.388 -2.346 -8.160 1.00 0.00 H new ATOM 1664 N ARG A 107 19.399 -10.315 -5.181 1.00 0.00 N ATOM 1665 CA ARG A 107 18.645 -10.075 -3.957 1.00 0.00 C ATOM 1666 C ARG A 107 19.366 -10.668 -2.750 1.00 0.00 C ATOM 1667 O ARG A 107 19.751 -11.837 -2.738 1.00 0.00 O ATOM 1668 CB ARG A 107 17.242 -10.674 -4.071 1.00 0.00 C ATOM 1669 CG ARG A 107 16.209 -9.976 -3.201 1.00 0.00 C ATOM 1670 CD ARG A 107 14.813 -10.529 -3.441 1.00 0.00 C ATOM 1671 NE ARG A 107 14.260 -10.083 -4.717 1.00 0.00 N ATOM 1672 CZ ARG A 107 13.557 -8.965 -4.863 1.00 0.00 C ATOM 1673 NH1 ARG A 107 13.322 -8.185 -3.817 1.00 0.00 N ATOM 1674 NH2 ARG A 107 13.087 -8.627 -6.057 1.00 0.00 N ATOM 0 HA ARG A 107 18.562 -8.997 -3.816 1.00 0.00 H new ATOM 0 HB2 ARG A 107 16.920 -10.627 -5.111 1.00 0.00 H new ATOM 0 HB3 ARG A 107 17.283 -11.728 -3.797 1.00 0.00 H new ATOM 0 HG2 ARG A 107 16.474 -10.098 -2.151 1.00 0.00 H new ATOM 0 HG3 ARG A 107 16.219 -8.906 -3.410 1.00 0.00 H new ATOM 0 HD2 ARG A 107 14.846 -11.618 -3.421 1.00 0.00 H new ATOM 0 HD3 ARG A 107 14.155 -10.215 -2.631 1.00 0.00 H new ATOM 0 HE ARG A 107 14.422 -10.661 -5.541 1.00 0.00 H new ATOM 0 HH11 ARG A 107 13.681 -8.443 -2.898 1.00 0.00 H new ATOM 0 HH12 ARG A 107 12.782 -7.327 -3.932 1.00 0.00 H new ATOM 0 HH21 ARG A 107 13.265 -9.226 -6.863 1.00 0.00 H new ATOM 0 HH22 ARG A 107 12.547 -7.769 -6.168 1.00 0.00 H new ATOM 1688 N PRO A 108 19.554 -9.844 -1.708 1.00 0.00 N ATOM 1689 CA PRO A 108 20.229 -10.264 -0.477 1.00 0.00 C ATOM 1690 C PRO A 108 19.398 -11.255 0.331 1.00 0.00 C ATOM 1691 O PRO A 108 18.171 -11.165 0.365 1.00 0.00 O ATOM 1692 CB PRO A 108 20.404 -8.955 0.297 1.00 0.00 C ATOM 1693 CG PRO A 108 19.317 -8.069 -0.208 1.00 0.00 C ATOM 1694 CD PRO A 108 19.120 -8.437 -1.652 1.00 0.00 C ATOM 0 HA PRO A 108 21.166 -10.781 -0.683 1.00 0.00 H new ATOM 0 HB2 PRO A 108 20.317 -9.116 1.372 1.00 0.00 H new ATOM 0 HB3 PRO A 108 21.386 -8.518 0.119 1.00 0.00 H new ATOM 0 HG2 PRO A 108 18.399 -8.215 0.361 1.00 0.00 H new ATOM 0 HG3 PRO A 108 19.591 -7.019 -0.107 1.00 0.00 H new ATOM 0 HD2 PRO A 108 18.080 -8.325 -1.957 1.00 0.00 H new ATOM 0 HD3 PRO A 108 19.715 -7.806 -2.312 1.00 0.00 H new ATOM 1702 N GLN A 109 20.074 -12.197 0.980 1.00 0.00 N ATOM 1703 CA GLN A 109 19.396 -13.204 1.788 1.00 0.00 C ATOM 1704 C GLN A 109 19.603 -12.938 3.275 1.00 0.00 C ATOM 1705 O GLN A 109 18.675 -13.064 4.075 1.00 0.00 O ATOM 1706 CB GLN A 109 19.905 -14.602 1.432 1.00 0.00 C ATOM 1707 CG GLN A 109 19.224 -15.206 0.215 1.00 0.00 C ATOM 1708 CD GLN A 109 18.990 -14.191 -0.887 1.00 0.00 C ATOM 1709 OE1 GLN A 109 17.895 -13.447 -0.785 1.00 0.00 O flip ATOM 1710 NE2 GLN A 109 19.785 -14.077 -1.821 1.00 0.00 N flip ATOM 0 H GLN A 109 21.090 -12.284 0.962 1.00 0.00 H new ATOM 0 HA GLN A 109 18.329 -13.148 1.573 1.00 0.00 H new ATOM 0 HB2 GLN A 109 20.979 -14.553 1.250 1.00 0.00 H new ATOM 0 HB3 GLN A 109 19.756 -15.262 2.286 1.00 0.00 H new ATOM 0 HG2 GLN A 109 19.835 -16.022 -0.171 1.00 0.00 H new ATOM 0 HG3 GLN A 109 18.269 -15.638 0.515 1.00 0.00 H new ATOM 0 HE21 GLN A 109 20.614 -14.670 -1.860 1.00 0.00 H new ATOM 0 HE22 GLN A 109 19.614 -13.390 -2.555 1.00 0.00 H new ATOM 1719 N THR A 110 20.827 -12.569 3.641 1.00 0.00 N ATOM 1720 CA THR A 110 21.156 -12.287 5.032 1.00 0.00 C ATOM 1721 C THR A 110 21.237 -10.786 5.285 1.00 0.00 C ATOM 1722 O THR A 110 21.454 -10.002 4.361 1.00 0.00 O ATOM 1723 CB THR A 110 22.494 -12.936 5.436 1.00 0.00 C ATOM 1724 OG1 THR A 110 22.664 -12.865 6.856 1.00 0.00 O ATOM 1725 CG2 THR A 110 23.660 -12.247 4.744 1.00 0.00 C ATOM 0 H THR A 110 21.607 -12.459 2.993 1.00 0.00 H new ATOM 0 HA THR A 110 20.356 -12.713 5.638 1.00 0.00 H new ATOM 0 HB THR A 110 22.475 -13.981 5.126 1.00 0.00 H new ATOM 0 HG1 THR A 110 23.516 -13.281 7.105 1.00 0.00 H new ATOM 0 HG21 THR A 110 24.594 -12.722 5.045 1.00 0.00 H new ATOM 0 HG22 THR A 110 23.542 -12.330 3.664 1.00 0.00 H new ATOM 0 HG23 THR A 110 23.681 -11.195 5.027 1.00 0.00 H new ATOM 1733 N ASP A 111 21.061 -10.392 6.541 1.00 0.00 N ATOM 1734 CA ASP A 111 21.115 -8.984 6.916 1.00 0.00 C ATOM 1735 C ASP A 111 22.383 -8.327 6.378 1.00 0.00 C ATOM 1736 O ASP A 111 22.344 -7.210 5.863 1.00 0.00 O ATOM 1737 CB ASP A 111 21.054 -8.836 8.437 1.00 0.00 C ATOM 1738 CG ASP A 111 19.648 -9.001 8.979 1.00 0.00 C ATOM 1739 OD1 ASP A 111 19.164 -10.151 9.029 1.00 0.00 O ATOM 1740 OD2 ASP A 111 19.032 -7.981 9.352 1.00 0.00 O ATOM 0 H ASP A 111 20.880 -11.028 7.317 1.00 0.00 H new ATOM 0 HA ASP A 111 20.253 -8.483 6.476 1.00 0.00 H new ATOM 0 HB2 ASP A 111 21.707 -9.577 8.898 1.00 0.00 H new ATOM 0 HB3 ASP A 111 21.436 -7.855 8.719 1.00 0.00 H new ATOM 1745 N GLN A 112 23.505 -9.029 6.504 1.00 0.00 N ATOM 1746 CA GLN A 112 24.785 -8.512 6.032 1.00 0.00 C ATOM 1747 C GLN A 112 24.615 -7.750 4.722 1.00 0.00 C ATOM 1748 O GLN A 112 25.308 -6.764 4.472 1.00 0.00 O ATOM 1749 CB GLN A 112 25.782 -9.657 5.844 1.00 0.00 C ATOM 1750 CG GLN A 112 27.229 -9.196 5.767 1.00 0.00 C ATOM 1751 CD GLN A 112 28.126 -10.204 5.077 1.00 0.00 C ATOM 1752 OE1 GLN A 112 27.862 -10.617 3.947 1.00 0.00 O ATOM 1753 NE2 GLN A 112 29.195 -10.607 5.754 1.00 0.00 N ATOM 0 H GLN A 112 23.554 -9.955 6.928 1.00 0.00 H new ATOM 0 HA GLN A 112 25.170 -7.823 6.784 1.00 0.00 H new ATOM 0 HB2 GLN A 112 25.676 -10.359 6.671 1.00 0.00 H new ATOM 0 HB3 GLN A 112 25.533 -10.199 4.932 1.00 0.00 H new ATOM 0 HG2 GLN A 112 27.276 -8.247 5.232 1.00 0.00 H new ATOM 0 HG3 GLN A 112 27.602 -9.013 6.775 1.00 0.00 H new ATOM 0 HE21 GLN A 112 29.376 -10.239 6.688 1.00 0.00 H new ATOM 0 HE22 GLN A 112 29.835 -11.285 5.340 1.00 0.00 H new ATOM 1762 N ALA A 113 23.689 -8.214 3.889 1.00 0.00 N ATOM 1763 CA ALA A 113 23.427 -7.575 2.606 1.00 0.00 C ATOM 1764 C ALA A 113 22.111 -6.805 2.634 1.00 0.00 C ATOM 1765 O ALA A 113 22.058 -5.632 2.263 1.00 0.00 O ATOM 1766 CB ALA A 113 23.409 -8.613 1.493 1.00 0.00 C ATOM 0 H ALA A 113 23.108 -9.030 4.080 1.00 0.00 H new ATOM 0 HA ALA A 113 24.230 -6.864 2.412 1.00 0.00 H new ATOM 0 HB1 ALA A 113 23.212 -8.121 0.540 1.00 0.00 H new ATOM 0 HB2 ALA A 113 24.375 -9.116 1.449 1.00 0.00 H new ATOM 0 HB3 ALA A 113 22.627 -9.346 1.692 1.00 0.00 H new ATOM 1772 N VAL A 114 21.049 -7.472 3.076 1.00 0.00 N ATOM 1773 CA VAL A 114 19.733 -6.850 3.153 1.00 0.00 C ATOM 1774 C VAL A 114 19.813 -5.472 3.800 1.00 0.00 C ATOM 1775 O VAL A 114 19.533 -4.459 3.162 1.00 0.00 O ATOM 1776 CB VAL A 114 18.746 -7.723 3.949 1.00 0.00 C ATOM 1777 CG1 VAL A 114 17.402 -7.023 4.083 1.00 0.00 C ATOM 1778 CG2 VAL A 114 18.584 -9.084 3.288 1.00 0.00 C ATOM 0 H VAL A 114 21.075 -8.443 3.386 1.00 0.00 H new ATOM 0 HA VAL A 114 19.371 -6.747 2.130 1.00 0.00 H new ATOM 0 HB VAL A 114 19.150 -7.877 4.950 1.00 0.00 H new ATOM 0 HG11 VAL A 114 16.717 -7.655 4.648 1.00 0.00 H new ATOM 0 HG12 VAL A 114 17.536 -6.075 4.605 1.00 0.00 H new ATOM 0 HG13 VAL A 114 16.989 -6.836 3.092 1.00 0.00 H new ATOM 0 HG21 VAL A 114 17.883 -9.687 3.865 1.00 0.00 H new ATOM 0 HG22 VAL A 114 18.203 -8.954 2.275 1.00 0.00 H new ATOM 0 HG23 VAL A 114 19.550 -9.587 3.250 1.00 0.00 H new ATOM 1788 N GLU A 115 20.199 -5.444 5.072 1.00 0.00 N ATOM 1789 CA GLU A 115 20.316 -4.190 5.807 1.00 0.00 C ATOM 1790 C GLU A 115 20.801 -3.068 4.893 1.00 0.00 C ATOM 1791 O GLU A 115 20.170 -2.015 4.794 1.00 0.00 O ATOM 1792 CB GLU A 115 21.275 -4.352 6.988 1.00 0.00 C ATOM 1793 CG GLU A 115 21.269 -3.171 7.944 1.00 0.00 C ATOM 1794 CD GLU A 115 22.386 -3.241 8.966 1.00 0.00 C ATOM 1795 OE1 GLU A 115 22.389 -4.189 9.779 1.00 0.00 O ATOM 1796 OE2 GLU A 115 23.259 -2.348 8.952 1.00 0.00 O ATOM 0 H GLU A 115 20.436 -6.275 5.614 1.00 0.00 H new ATOM 0 HA GLU A 115 19.328 -3.926 6.185 1.00 0.00 H new ATOM 0 HB2 GLU A 115 21.011 -5.255 7.538 1.00 0.00 H new ATOM 0 HB3 GLU A 115 22.286 -4.495 6.607 1.00 0.00 H new ATOM 0 HG2 GLU A 115 21.361 -2.247 7.374 1.00 0.00 H new ATOM 0 HG3 GLU A 115 20.310 -3.132 8.461 1.00 0.00 H new ATOM 1803 N PHE A 116 21.928 -3.300 4.228 1.00 0.00 N ATOM 1804 CA PHE A 116 22.500 -2.310 3.323 1.00 0.00 C ATOM 1805 C PHE A 116 21.574 -2.056 2.138 1.00 0.00 C ATOM 1806 O PHE A 116 21.231 -0.913 1.836 1.00 0.00 O ATOM 1807 CB PHE A 116 23.870 -2.774 2.825 1.00 0.00 C ATOM 1808 CG PHE A 116 24.985 -2.502 3.794 1.00 0.00 C ATOM 1809 CD1 PHE A 116 25.207 -1.221 4.272 1.00 0.00 C ATOM 1810 CD2 PHE A 116 25.810 -3.528 4.227 1.00 0.00 C ATOM 1811 CE1 PHE A 116 26.233 -0.968 5.164 1.00 0.00 C ATOM 1812 CE2 PHE A 116 26.837 -3.281 5.118 1.00 0.00 C ATOM 1813 CZ PHE A 116 27.048 -1.999 5.588 1.00 0.00 C ATOM 0 H PHE A 116 22.463 -4.165 4.299 1.00 0.00 H new ATOM 0 HA PHE A 116 22.619 -1.377 3.874 1.00 0.00 H new ATOM 0 HB2 PHE A 116 23.830 -3.844 2.621 1.00 0.00 H new ATOM 0 HB3 PHE A 116 24.091 -2.277 1.880 1.00 0.00 H new ATOM 0 HD1 PHE A 116 24.572 -0.411 3.945 1.00 0.00 H new ATOM 0 HD2 PHE A 116 25.648 -4.532 3.864 1.00 0.00 H new ATOM 0 HE1 PHE A 116 26.397 0.035 5.529 1.00 0.00 H new ATOM 0 HE2 PHE A 116 27.474 -4.089 5.447 1.00 0.00 H new ATOM 0 HZ PHE A 116 27.849 -1.804 6.286 1.00 0.00 H new ATOM 1823 N PHE A 117 21.172 -3.132 1.468 1.00 0.00 N ATOM 1824 CA PHE A 117 20.286 -3.027 0.314 1.00 0.00 C ATOM 1825 C PHE A 117 19.184 -2.002 0.566 1.00 0.00 C ATOM 1826 O PHE A 117 18.936 -1.126 -0.264 1.00 0.00 O ATOM 1827 CB PHE A 117 19.668 -4.389 -0.006 1.00 0.00 C ATOM 1828 CG PHE A 117 18.630 -4.337 -1.090 1.00 0.00 C ATOM 1829 CD1 PHE A 117 18.926 -3.782 -2.325 1.00 0.00 C ATOM 1830 CD2 PHE A 117 17.358 -4.842 -0.875 1.00 0.00 C ATOM 1831 CE1 PHE A 117 17.973 -3.731 -3.324 1.00 0.00 C ATOM 1832 CE2 PHE A 117 16.400 -4.795 -1.871 1.00 0.00 C ATOM 1833 CZ PHE A 117 16.709 -4.240 -3.097 1.00 0.00 C ATOM 0 H PHE A 117 21.446 -4.086 1.704 1.00 0.00 H new ATOM 0 HA PHE A 117 20.878 -2.695 -0.539 1.00 0.00 H new ATOM 0 HB2 PHE A 117 20.459 -5.077 -0.304 1.00 0.00 H new ATOM 0 HB3 PHE A 117 19.217 -4.796 0.899 1.00 0.00 H new ATOM 0 HD1 PHE A 117 19.913 -3.385 -2.509 1.00 0.00 H new ATOM 0 HD2 PHE A 117 17.112 -5.278 0.082 1.00 0.00 H new ATOM 0 HE1 PHE A 117 18.216 -3.294 -4.281 1.00 0.00 H new ATOM 0 HE2 PHE A 117 15.412 -5.192 -1.690 1.00 0.00 H new ATOM 0 HZ PHE A 117 15.963 -4.204 -3.877 1.00 0.00 H new ATOM 1843 N ILE A 118 18.527 -2.118 1.715 1.00 0.00 N ATOM 1844 CA ILE A 118 17.452 -1.203 2.076 1.00 0.00 C ATOM 1845 C ILE A 118 18.006 0.144 2.528 1.00 0.00 C ATOM 1846 O ILE A 118 17.416 1.191 2.261 1.00 0.00 O ATOM 1847 CB ILE A 118 16.569 -1.784 3.195 1.00 0.00 C ATOM 1848 CG1 ILE A 118 15.965 -3.120 2.756 1.00 0.00 C ATOM 1849 CG2 ILE A 118 15.473 -0.799 3.571 1.00 0.00 C ATOM 1850 CD1 ILE A 118 15.631 -4.040 3.910 1.00 0.00 C ATOM 0 H ILE A 118 18.721 -2.837 2.412 1.00 0.00 H new ATOM 0 HA ILE A 118 16.844 -1.062 1.182 1.00 0.00 H new ATOM 0 HB ILE A 118 17.190 -1.958 4.074 1.00 0.00 H new ATOM 0 HG12 ILE A 118 15.059 -2.929 2.181 1.00 0.00 H new ATOM 0 HG13 ILE A 118 16.665 -3.625 2.090 1.00 0.00 H new ATOM 0 HG21 ILE A 118 14.857 -1.225 4.363 1.00 0.00 H new ATOM 0 HG22 ILE A 118 15.923 0.130 3.921 1.00 0.00 H new ATOM 0 HG23 ILE A 118 14.852 -0.595 2.699 1.00 0.00 H new ATOM 0 HD11 ILE A 118 15.207 -4.967 3.525 1.00 0.00 H new ATOM 0 HD12 ILE A 118 16.538 -4.262 4.473 1.00 0.00 H new ATOM 0 HD13 ILE A 118 14.907 -3.555 4.565 1.00 0.00 H new ATOM 1862 N ARG A 119 19.145 0.109 3.214 1.00 0.00 N ATOM 1863 CA ARG A 119 19.779 1.327 3.703 1.00 0.00 C ATOM 1864 C ARG A 119 20.366 2.136 2.550 1.00 0.00 C ATOM 1865 O ARG A 119 20.800 3.273 2.734 1.00 0.00 O ATOM 1866 CB ARG A 119 20.879 0.985 4.711 1.00 0.00 C ATOM 1867 CG ARG A 119 20.393 0.940 6.150 1.00 0.00 C ATOM 1868 CD ARG A 119 21.498 0.500 7.098 1.00 0.00 C ATOM 1869 NE ARG A 119 22.572 1.486 7.180 1.00 0.00 N ATOM 1870 CZ ARG A 119 22.550 2.530 8.001 1.00 0.00 C ATOM 1871 NH1 ARG A 119 21.513 2.723 8.805 1.00 0.00 N ATOM 1872 NH2 ARG A 119 23.565 3.384 8.019 1.00 0.00 N ATOM 0 H ARG A 119 19.647 -0.749 3.443 1.00 0.00 H new ATOM 0 HA ARG A 119 19.017 1.930 4.196 1.00 0.00 H new ATOM 0 HB2 ARG A 119 21.310 0.018 4.452 1.00 0.00 H new ATOM 0 HB3 ARG A 119 21.678 1.722 4.629 1.00 0.00 H new ATOM 0 HG2 ARG A 119 20.031 1.925 6.444 1.00 0.00 H new ATOM 0 HG3 ARG A 119 19.550 0.254 6.229 1.00 0.00 H new ATOM 0 HD2 ARG A 119 21.080 0.336 8.091 1.00 0.00 H new ATOM 0 HD3 ARG A 119 21.906 -0.453 6.762 1.00 0.00 H new ATOM 0 HE ARG A 119 23.383 1.367 6.574 1.00 0.00 H new ATOM 0 HH11 ARG A 119 20.730 2.069 8.794 1.00 0.00 H new ATOM 0 HH12 ARG A 119 21.498 3.525 9.435 1.00 0.00 H new ATOM 0 HH21 ARG A 119 24.364 3.240 7.402 1.00 0.00 H new ATOM 0 HH22 ARG A 119 23.546 4.185 8.650 1.00 0.00 H new ATOM 1886 N ASP A 120 20.375 1.541 1.362 1.00 0.00 N ATOM 1887 CA ASP A 120 20.907 2.206 0.178 1.00 0.00 C ATOM 1888 C ASP A 120 19.860 2.264 -0.930 1.00 0.00 C ATOM 1889 O ASP A 120 19.984 3.042 -1.876 1.00 0.00 O ATOM 1890 CB ASP A 120 22.158 1.481 -0.322 1.00 0.00 C ATOM 1891 CG ASP A 120 23.241 1.400 0.735 1.00 0.00 C ATOM 1892 OD1 ASP A 120 23.134 0.535 1.631 1.00 0.00 O ATOM 1893 OD2 ASP A 120 24.197 2.200 0.667 1.00 0.00 O ATOM 0 H ASP A 120 20.020 0.600 1.193 1.00 0.00 H new ATOM 0 HA ASP A 120 21.174 3.226 0.454 1.00 0.00 H new ATOM 0 HB2 ASP A 120 21.888 0.474 -0.640 1.00 0.00 H new ATOM 0 HB3 ASP A 120 22.548 1.998 -1.199 1.00 0.00 H new ATOM 1898 N LYS A 121 18.830 1.434 -0.807 1.00 0.00 N ATOM 1899 CA LYS A 121 17.760 1.389 -1.797 1.00 0.00 C ATOM 1900 C LYS A 121 16.736 2.489 -1.541 1.00 0.00 C ATOM 1901 O LYS A 121 16.335 3.204 -2.460 1.00 0.00 O ATOM 1902 CB LYS A 121 17.073 0.022 -1.774 1.00 0.00 C ATOM 1903 CG LYS A 121 15.854 -0.062 -2.676 1.00 0.00 C ATOM 1904 CD LYS A 121 15.075 -1.345 -2.444 1.00 0.00 C ATOM 1905 CE LYS A 121 13.691 -1.278 -3.070 1.00 0.00 C ATOM 1906 NZ LYS A 121 12.854 -2.451 -2.694 1.00 0.00 N ATOM 0 H LYS A 121 18.713 0.783 -0.031 1.00 0.00 H new ATOM 0 HA LYS A 121 18.202 1.550 -2.780 1.00 0.00 H new ATOM 0 HB2 LYS A 121 17.791 -0.741 -2.075 1.00 0.00 H new ATOM 0 HB3 LYS A 121 16.774 -0.208 -0.751 1.00 0.00 H new ATOM 0 HG2 LYS A 121 15.206 0.796 -2.494 1.00 0.00 H new ATOM 0 HG3 LYS A 121 16.168 -0.009 -3.719 1.00 0.00 H new ATOM 0 HD2 LYS A 121 15.625 -2.187 -2.864 1.00 0.00 H new ATOM 0 HD3 LYS A 121 14.983 -1.527 -1.373 1.00 0.00 H new ATOM 0 HE2 LYS A 121 13.194 -0.361 -2.754 1.00 0.00 H new ATOM 0 HE3 LYS A 121 13.785 -1.232 -4.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 11.850 -2.181 -2.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 13.015 -3.224 -3.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 13.111 -2.769 -1.738 1.00 0.00 H new ATOM 1920 N TYR A 122 16.317 2.621 -0.287 1.00 0.00 N ATOM 1921 CA TYR A 122 15.338 3.635 0.089 1.00 0.00 C ATOM 1922 C TYR A 122 16.025 4.865 0.675 1.00 0.00 C ATOM 1923 O TYR A 122 15.827 5.983 0.202 1.00 0.00 O ATOM 1924 CB TYR A 122 14.344 3.062 1.101 1.00 0.00 C ATOM 1925 CG TYR A 122 13.330 2.122 0.488 1.00 0.00 C ATOM 1926 CD1 TYR A 122 13.600 0.765 0.361 1.00 0.00 C ATOM 1927 CD2 TYR A 122 12.104 2.592 0.034 1.00 0.00 C ATOM 1928 CE1 TYR A 122 12.677 -0.097 -0.199 1.00 0.00 C ATOM 1929 CE2 TYR A 122 11.174 1.736 -0.526 1.00 0.00 C ATOM 1930 CZ TYR A 122 11.466 0.393 -0.640 1.00 0.00 C ATOM 1931 OH TYR A 122 10.543 -0.462 -1.199 1.00 0.00 O ATOM 0 H TYR A 122 16.640 2.039 0.486 1.00 0.00 H new ATOM 0 HA TYR A 122 14.800 3.936 -0.810 1.00 0.00 H new ATOM 0 HB2 TYR A 122 14.895 2.532 1.878 1.00 0.00 H new ATOM 0 HB3 TYR A 122 13.818 3.884 1.587 1.00 0.00 H new ATOM 0 HD1 TYR A 122 14.547 0.378 0.706 1.00 0.00 H new ATOM 0 HD2 TYR A 122 11.874 3.644 0.120 1.00 0.00 H new ATOM 0 HE1 TYR A 122 12.903 -1.149 -0.291 1.00 0.00 H new ATOM 0 HE2 TYR A 122 10.224 2.117 -0.872 1.00 0.00 H new ATOM 0 HH TYR A 122 9.743 0.043 -1.456 1.00 0.00 H new ATOM 1941 N GLU A 123 16.834 4.647 1.708 1.00 0.00 N ATOM 1942 CA GLU A 123 17.550 5.738 2.359 1.00 0.00 C ATOM 1943 C GLU A 123 18.371 6.531 1.346 1.00 0.00 C ATOM 1944 O GLU A 123 18.109 7.709 1.102 1.00 0.00 O ATOM 1945 CB GLU A 123 18.464 5.193 3.458 1.00 0.00 C ATOM 1946 CG GLU A 123 18.675 6.160 4.610 1.00 0.00 C ATOM 1947 CD GLU A 123 19.874 7.064 4.401 1.00 0.00 C ATOM 1948 OE1 GLU A 123 19.737 8.075 3.681 1.00 0.00 O ATOM 1949 OE2 GLU A 123 20.951 6.761 4.957 1.00 0.00 O ATOM 0 H GLU A 123 17.009 3.727 2.111 1.00 0.00 H new ATOM 0 HA GLU A 123 16.814 6.406 2.806 1.00 0.00 H new ATOM 0 HB2 GLU A 123 18.040 4.267 3.845 1.00 0.00 H new ATOM 0 HB3 GLU A 123 19.432 4.943 3.023 1.00 0.00 H new ATOM 0 HG2 GLU A 123 17.781 6.771 4.735 1.00 0.00 H new ATOM 0 HG3 GLU A 123 18.807 5.596 5.533 1.00 0.00 H new ATOM 1956 N LYS A 124 19.367 5.876 0.758 1.00 0.00 N ATOM 1957 CA LYS A 124 20.227 6.517 -0.229 1.00 0.00 C ATOM 1958 C LYS A 124 19.469 6.773 -1.528 1.00 0.00 C ATOM 1959 O LYS A 124 19.846 7.636 -2.320 1.00 0.00 O ATOM 1960 CB LYS A 124 21.456 5.648 -0.506 1.00 0.00 C ATOM 1961 CG LYS A 124 22.311 5.394 0.723 1.00 0.00 C ATOM 1962 CD LYS A 124 23.010 6.660 1.188 1.00 0.00 C ATOM 1963 CE LYS A 124 23.561 6.507 2.597 1.00 0.00 C ATOM 1964 NZ LYS A 124 24.830 5.730 2.616 1.00 0.00 N ATOM 0 H LYS A 124 19.598 4.901 0.948 1.00 0.00 H new ATOM 0 HA LYS A 124 20.551 7.475 0.177 1.00 0.00 H new ATOM 0 HB2 LYS A 124 21.130 4.692 -0.915 1.00 0.00 H new ATOM 0 HB3 LYS A 124 22.067 6.130 -1.270 1.00 0.00 H new ATOM 0 HG2 LYS A 124 21.687 5.006 1.528 1.00 0.00 H new ATOM 0 HG3 LYS A 124 23.054 4.629 0.498 1.00 0.00 H new ATOM 0 HD2 LYS A 124 23.823 6.901 0.503 1.00 0.00 H new ATOM 0 HD3 LYS A 124 22.310 7.495 1.159 1.00 0.00 H new ATOM 0 HE2 LYS A 124 23.733 7.493 3.029 1.00 0.00 H new ATOM 0 HE3 LYS A 124 22.821 6.009 3.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 25.172 5.648 3.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 24.661 4.780 2.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 25.544 6.218 2.039 1.00 0.00 H new ATOM 1978 N LYS A 125 18.396 6.018 -1.739 1.00 0.00 N ATOM 1979 CA LYS A 125 17.582 6.164 -2.940 1.00 0.00 C ATOM 1980 C LYS A 125 18.392 5.836 -4.190 1.00 0.00 C ATOM 1981 O LYS A 125 18.139 6.378 -5.266 1.00 0.00 O ATOM 1982 CB LYS A 125 17.029 7.587 -3.036 1.00 0.00 C ATOM 1983 CG LYS A 125 15.979 7.905 -1.985 1.00 0.00 C ATOM 1984 CD LYS A 125 14.733 7.055 -2.167 1.00 0.00 C ATOM 1985 CE LYS A 125 13.544 7.642 -1.423 1.00 0.00 C ATOM 1986 NZ LYS A 125 13.471 7.150 -0.019 1.00 0.00 N ATOM 0 H LYS A 125 18.070 5.299 -1.094 1.00 0.00 H new ATOM 0 HA LYS A 125 16.751 5.462 -2.873 1.00 0.00 H new ATOM 0 HB2 LYS A 125 17.852 8.295 -2.940 1.00 0.00 H new ATOM 0 HB3 LYS A 125 16.596 7.733 -4.026 1.00 0.00 H new ATOM 0 HG2 LYS A 125 16.394 7.736 -0.992 1.00 0.00 H new ATOM 0 HG3 LYS A 125 15.712 8.960 -2.043 1.00 0.00 H new ATOM 0 HD2 LYS A 125 14.497 6.977 -3.228 1.00 0.00 H new ATOM 0 HD3 LYS A 125 14.925 6.044 -1.808 1.00 0.00 H new ATOM 0 HE2 LYS A 125 13.616 8.730 -1.424 1.00 0.00 H new ATOM 0 HE3 LYS A 125 12.624 7.383 -1.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 13.048 7.884 0.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 12.885 6.292 0.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 14.429 6.930 0.322 1.00 0.00 H new ATOM 2000 N LYS A 126 19.367 4.946 -4.041 1.00 0.00 N ATOM 2001 CA LYS A 126 20.213 4.543 -5.158 1.00 0.00 C ATOM 2002 C LYS A 126 19.369 4.100 -6.349 1.00 0.00 C ATOM 2003 O LYS A 126 19.388 4.732 -7.405 1.00 0.00 O ATOM 2004 CB LYS A 126 21.149 3.409 -4.733 1.00 0.00 C ATOM 2005 CG LYS A 126 22.490 3.892 -4.207 1.00 0.00 C ATOM 2006 CD LYS A 126 23.363 2.732 -3.758 1.00 0.00 C ATOM 2007 CE LYS A 126 24.054 2.066 -4.938 1.00 0.00 C ATOM 2008 NZ LYS A 126 25.067 1.068 -4.495 1.00 0.00 N ATOM 0 H LYS A 126 19.591 4.490 -3.157 1.00 0.00 H new ATOM 0 HA LYS A 126 20.809 5.405 -5.458 1.00 0.00 H new ATOM 0 HB2 LYS A 126 20.659 2.814 -3.962 1.00 0.00 H new ATOM 0 HB3 LYS A 126 21.318 2.750 -5.585 1.00 0.00 H new ATOM 0 HG2 LYS A 126 23.005 4.457 -4.984 1.00 0.00 H new ATOM 0 HG3 LYS A 126 22.330 4.573 -3.371 1.00 0.00 H new ATOM 0 HD2 LYS A 126 24.112 3.091 -3.052 1.00 0.00 H new ATOM 0 HD3 LYS A 126 22.753 1.999 -3.231 1.00 0.00 H new ATOM 0 HE2 LYS A 126 23.310 1.575 -5.565 1.00 0.00 H new ATOM 0 HE3 LYS A 126 24.537 2.826 -5.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 25.516 0.636 -5.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 25.791 1.541 -3.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 24.602 0.329 -3.930 1.00 0.00 H new ATOM 2022 N TYR A 127 18.628 3.011 -6.170 1.00 0.00 N ATOM 2023 CA TYR A 127 17.778 2.484 -7.230 1.00 0.00 C ATOM 2024 C TYR A 127 16.404 3.147 -7.208 1.00 0.00 C ATOM 2025 O TYR A 127 15.383 2.494 -7.426 1.00 0.00 O ATOM 2026 CB TYR A 127 17.627 0.968 -7.085 1.00 0.00 C ATOM 2027 CG TYR A 127 18.898 0.272 -6.654 1.00 0.00 C ATOM 2028 CD1 TYR A 127 19.277 0.241 -5.318 1.00 0.00 C ATOM 2029 CD2 TYR A 127 19.720 -0.354 -7.583 1.00 0.00 C ATOM 2030 CE1 TYR A 127 20.438 -0.393 -4.919 1.00 0.00 C ATOM 2031 CE2 TYR A 127 20.882 -0.992 -7.193 1.00 0.00 C ATOM 2032 CZ TYR A 127 21.237 -1.009 -5.860 1.00 0.00 C ATOM 2033 OH TYR A 127 22.394 -1.642 -5.468 1.00 0.00 O ATOM 0 H TYR A 127 18.599 2.477 -5.301 1.00 0.00 H new ATOM 0 HA TYR A 127 18.253 2.706 -8.186 1.00 0.00 H new ATOM 0 HB2 TYR A 127 16.843 0.757 -6.358 1.00 0.00 H new ATOM 0 HB3 TYR A 127 17.299 0.551 -8.037 1.00 0.00 H new ATOM 0 HD1 TYR A 127 18.653 0.721 -4.578 1.00 0.00 H new ATOM 0 HD2 TYR A 127 19.446 -0.342 -8.628 1.00 0.00 H new ATOM 0 HE1 TYR A 127 20.718 -0.406 -3.876 1.00 0.00 H new ATOM 0 HE2 TYR A 127 21.509 -1.475 -7.928 1.00 0.00 H new ATOM 0 HH TYR A 127 22.839 -2.025 -6.253 1.00 0.00 H new ATOM 2043 N TYR A 128 16.387 4.448 -6.943 1.00 0.00 N ATOM 2044 CA TYR A 128 15.140 5.202 -6.889 1.00 0.00 C ATOM 2045 C TYR A 128 14.882 5.923 -8.209 1.00 0.00 C ATOM 2046 O TYR A 128 15.668 6.773 -8.628 1.00 0.00 O ATOM 2047 CB TYR A 128 15.179 6.212 -5.742 1.00 0.00 C ATOM 2048 CG TYR A 128 13.872 6.945 -5.536 1.00 0.00 C ATOM 2049 CD1 TYR A 128 12.752 6.284 -5.047 1.00 0.00 C ATOM 2050 CD2 TYR A 128 13.759 8.298 -5.829 1.00 0.00 C ATOM 2051 CE1 TYR A 128 11.556 6.949 -4.858 1.00 0.00 C ATOM 2052 CE2 TYR A 128 12.567 8.972 -5.641 1.00 0.00 C ATOM 2053 CZ TYR A 128 11.469 8.293 -5.156 1.00 0.00 C ATOM 2054 OH TYR A 128 10.280 8.960 -4.968 1.00 0.00 O ATOM 0 H TYR A 128 17.223 5.003 -6.762 1.00 0.00 H new ATOM 0 HA TYR A 128 14.326 4.498 -6.715 1.00 0.00 H new ATOM 0 HB2 TYR A 128 15.444 5.693 -4.821 1.00 0.00 H new ATOM 0 HB3 TYR A 128 15.967 6.939 -5.936 1.00 0.00 H new ATOM 0 HD1 TYR A 128 12.818 5.232 -4.811 1.00 0.00 H new ATOM 0 HD2 TYR A 128 14.617 8.832 -6.210 1.00 0.00 H new ATOM 0 HE1 TYR A 128 10.694 6.420 -4.479 1.00 0.00 H new ATOM 0 HE2 TYR A 128 12.496 10.024 -5.873 1.00 0.00 H new ATOM 0 HH TYR A 128 10.388 9.900 -5.225 1.00 0.00 H new ATOM 2064 N ASP A 129 13.776 5.577 -8.858 1.00 0.00 N ATOM 2065 CA ASP A 129 13.412 6.192 -10.129 1.00 0.00 C ATOM 2066 C ASP A 129 12.502 7.396 -9.910 1.00 0.00 C ATOM 2067 O ASP A 129 11.321 7.246 -9.595 1.00 0.00 O ATOM 2068 CB ASP A 129 12.719 5.171 -11.034 1.00 0.00 C ATOM 2069 CG ASP A 129 12.790 5.554 -12.499 1.00 0.00 C ATOM 2070 OD1 ASP A 129 12.916 6.761 -12.791 1.00 0.00 O ATOM 2071 OD2 ASP A 129 12.720 4.646 -13.354 1.00 0.00 O ATOM 0 H ASP A 129 13.116 4.874 -8.525 1.00 0.00 H new ATOM 0 HA ASP A 129 14.326 6.534 -10.614 1.00 0.00 H new ATOM 0 HB2 ASP A 129 13.181 4.194 -10.894 1.00 0.00 H new ATOM 0 HB3 ASP A 129 11.675 5.076 -10.736 1.00 0.00 H new