USER MOD reduce.3.24.130724 H: found=0, std=0, add=895, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 893 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 127 GLN :FLIP amide:sc= -0.736 F(o=-9.3,f=-7.6) USER MOD Set 1.2: A 129 HIS :FLIP no HE2:sc= -6.88! C(o=-12!,f=-7.6!) USER MOD Set 2.1: A 103 ASN :FLIP amide:sc= 0.56 F(o=-3.6!,f=-0.61) USER MOD Set 2.2: A 110 THR OG1 : rot -70:sc= -1.17 USER MOD Set 3.1: A 29 HIS : no HD1:sc= -3.22! C(o=-4.9!,f=-6.5!) USER MOD Set 3.2: A 102 TYR OH : rot 149:sc= -1.66! USER MOD Set 4.1: A 19 ASN : amide:sc= -0.6 X(o=-19,f=-20) USER MOD Set 4.2: A 55 HIS : no HD1:sc= -13.1! C(o=-19!,f=-23!) USER MOD Set 4.3: A 119 MET CE :methyl -153:sc= -5.78! (180deg=-1.34) USER MOD Single : A 18 SER OG : rot 24:sc= 0.465 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 HIS : no HD1:sc= -2.61! K(o=-2.6!,f=-3.8) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 53:sc= -0.418 USER MOD Single : A 31 CYS SG : rot -80:sc= -1.8! USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.0104 X(o=-0.01,f=-0.12) USER MOD Single : A 40 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 1.11 K(o=1.1,f=-0.29) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 130:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 GLN : amide:sc= -0.0111 X(o=-0.011,f=0) USER MOD Single : A 71 TYR OH : rot 179:sc= -1.1 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0452 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc=-0.00897 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.083 USER MOD Single : A 95 MET CE :methyl -156:sc= -0.334 (180deg=-1.51) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot -160:sc= -0.895 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 MET CE :methyl -178:sc= 0 (180deg=-0.011) USER MOD Single : A 118 SER OG : rot 180:sc= 0.319 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot 39:sc= 0.0863 USER MOD ----------------------------------------------------------------- ATOM 238 N SER A 18 4.250 2.806 -13.823 1.00 0.00 N ATOM 239 CA SER A 18 3.213 3.466 -13.048 1.00 0.00 C ATOM 240 C SER A 18 2.192 2.438 -12.556 1.00 0.00 C ATOM 241 O SER A 18 1.562 1.751 -13.358 1.00 0.00 O ATOM 242 CB SER A 18 2.518 4.553 -13.871 1.00 0.00 C ATOM 243 OG SER A 18 3.391 5.131 -14.837 1.00 0.00 O ATOM 0 HA SER A 18 3.681 3.943 -12.187 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.651 4.127 -14.375 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.148 5.332 -13.204 1.00 0.00 H new ATOM 0 HG SER A 18 4.107 4.497 -15.052 1.00 0.00 H new ATOM 249 N ASN A 19 2.061 2.366 -11.240 1.00 0.00 N ATOM 250 CA ASN A 19 1.127 1.433 -10.631 1.00 0.00 C ATOM 251 C ASN A 19 0.191 2.196 -9.692 1.00 0.00 C ATOM 252 O ASN A 19 -0.204 1.678 -8.648 1.00 0.00 O ATOM 253 CB ASN A 19 1.864 0.375 -9.808 1.00 0.00 C ATOM 254 CG ASN A 19 2.722 1.025 -8.721 1.00 0.00 C ATOM 255 OD1 ASN A 19 3.812 1.515 -8.964 1.00 0.00 O ATOM 256 ND2 ASN A 19 2.170 1.002 -7.511 1.00 0.00 N ATOM 0 H ASN A 19 2.586 2.938 -10.578 1.00 0.00 H new ATOM 0 HA ASN A 19 0.569 0.944 -11.429 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.143 -0.302 -9.350 1.00 0.00 H new ATOM 0 HB3 ASN A 19 2.495 -0.226 -10.463 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.663 1.411 -6.717 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.253 0.575 -7.377 1.00 0.00 H new ATOM 263 N LYS A 20 -0.138 3.414 -10.096 1.00 0.00 N ATOM 264 CA LYS A 20 -1.021 4.252 -9.303 1.00 0.00 C ATOM 265 C LYS A 20 -2.410 3.613 -9.247 1.00 0.00 C ATOM 266 O LYS A 20 -2.952 3.393 -8.165 1.00 0.00 O ATOM 267 CB LYS A 20 -1.024 5.685 -9.841 1.00 0.00 C ATOM 268 CG LYS A 20 -2.073 6.537 -9.123 1.00 0.00 C ATOM 269 CD LYS A 20 -2.734 7.522 -10.090 1.00 0.00 C ATOM 270 CE LYS A 20 -2.583 8.962 -9.595 1.00 0.00 C ATOM 271 NZ LYS A 20 -3.209 9.906 -10.547 1.00 0.00 N ATOM 0 H LYS A 20 0.191 3.841 -10.962 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.661 4.321 -8.277 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.037 6.129 -9.709 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.229 5.675 -10.912 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.832 5.891 -8.681 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.605 7.084 -8.305 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.284 7.424 -11.078 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.791 7.279 -10.196 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.046 9.066 -8.614 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.527 9.203 -9.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.097 10.878 -10.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.749 9.818 -11.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.221 9.685 -10.640 1.00 0.00 H new ATOM 285 N PHE A 21 -2.946 3.334 -10.426 1.00 0.00 N ATOM 286 CA PHE A 21 -4.262 2.725 -10.525 1.00 0.00 C ATOM 287 C PHE A 21 -4.291 1.367 -9.820 1.00 0.00 C ATOM 288 O PHE A 21 -5.344 0.922 -9.366 1.00 0.00 O ATOM 289 CB PHE A 21 -4.549 2.520 -12.013 1.00 0.00 C ATOM 290 CG PHE A 21 -5.037 3.780 -12.732 1.00 0.00 C ATOM 291 CD1 PHE A 21 -4.147 4.738 -13.105 1.00 0.00 C ATOM 292 CD2 PHE A 21 -6.361 3.942 -12.998 1.00 0.00 C ATOM 293 CE1 PHE A 21 -4.599 5.907 -13.772 1.00 0.00 C ATOM 294 CE2 PHE A 21 -6.814 5.111 -13.664 1.00 0.00 C ATOM 295 CZ PHE A 21 -5.923 6.069 -14.037 1.00 0.00 C ATOM 0 H PHE A 21 -2.493 3.518 -11.321 1.00 0.00 H new ATOM 0 HA PHE A 21 -5.006 3.366 -10.052 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.642 2.163 -12.502 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.300 1.737 -12.123 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -3.096 4.610 -12.894 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -7.068 3.181 -12.702 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -3.892 6.667 -14.069 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -7.865 5.240 -13.874 1.00 0.00 H new ATOM 0 HZ PHE A 21 -6.267 6.958 -14.544 1.00 0.00 H new ATOM 305 N ILE A 22 -3.122 0.746 -9.752 1.00 0.00 N ATOM 306 CA ILE A 22 -3.001 -0.552 -9.110 1.00 0.00 C ATOM 307 C ILE A 22 -3.151 -0.384 -7.597 1.00 0.00 C ATOM 308 O ILE A 22 -3.500 -1.332 -6.895 1.00 0.00 O ATOM 309 CB ILE A 22 -1.697 -1.235 -9.527 1.00 0.00 C ATOM 310 CG1 ILE A 22 -1.627 -1.402 -11.046 1.00 0.00 C ATOM 311 CG2 ILE A 22 -1.518 -2.567 -8.795 1.00 0.00 C ATOM 312 CD1 ILE A 22 -0.193 -1.683 -11.501 1.00 0.00 C ATOM 0 H ILE A 22 -2.251 1.118 -10.131 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.801 -1.216 -9.438 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.866 -0.593 -9.235 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.278 -2.220 -11.356 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.996 -0.499 -11.532 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.584 -3.032 -9.109 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.492 -2.391 -7.720 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.351 -3.228 -9.034 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.171 -1.798 -12.585 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.450 -0.852 -11.211 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.165 -2.600 -11.032 1.00 0.00 H new ATOM 324 N ILE A 23 -2.879 0.829 -7.138 1.00 0.00 N ATOM 325 CA ILE A 23 -2.980 1.133 -5.721 1.00 0.00 C ATOM 326 C ILE A 23 -4.428 1.489 -5.381 1.00 0.00 C ATOM 327 O ILE A 23 -4.962 1.037 -4.369 1.00 0.00 O ATOM 328 CB ILE A 23 -1.973 2.217 -5.333 1.00 0.00 C ATOM 329 CG1 ILE A 23 -0.539 1.691 -5.420 1.00 0.00 C ATOM 330 CG2 ILE A 23 -2.290 2.791 -3.950 1.00 0.00 C ATOM 331 CD1 ILE A 23 -0.395 0.365 -4.670 1.00 0.00 C ATOM 0 H ILE A 23 -2.589 1.613 -7.723 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.719 0.259 -5.125 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.060 3.035 -6.049 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.261 1.554 -6.465 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.148 2.426 -5.001 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.559 3.559 -3.699 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.288 3.229 -3.958 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.249 1.994 -3.207 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.634 0.013 -4.748 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.650 0.511 -3.620 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.066 -0.375 -5.107 1.00 0.00 H new ATOM 343 N HIS A 24 -5.024 2.296 -6.247 1.00 0.00 N ATOM 344 CA HIS A 24 -6.401 2.718 -6.051 1.00 0.00 C ATOM 345 C HIS A 24 -7.272 1.500 -5.741 1.00 0.00 C ATOM 346 O HIS A 24 -8.200 1.584 -4.937 1.00 0.00 O ATOM 347 CB HIS A 24 -6.902 3.513 -7.259 1.00 0.00 C ATOM 348 CG HIS A 24 -7.261 4.946 -6.945 1.00 0.00 C ATOM 349 ND1 HIS A 24 -8.539 5.451 -7.105 1.00 0.00 N ATOM 350 CD2 HIS A 24 -6.496 5.975 -6.478 1.00 0.00 C ATOM 351 CE1 HIS A 24 -8.532 6.727 -6.748 1.00 0.00 C ATOM 352 NE2 HIS A 24 -7.265 7.050 -6.361 1.00 0.00 N ATOM 0 H HIS A 24 -4.579 2.669 -7.086 1.00 0.00 H new ATOM 0 HA HIS A 24 -6.461 3.391 -5.196 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -6.133 3.503 -8.032 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -7.777 3.012 -7.673 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -5.443 5.923 -6.243 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -9.381 7.394 -6.761 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -6.959 7.967 -6.035 1.00 0.00 H new ATOM 360 N ASN A 25 -6.942 0.395 -6.394 1.00 0.00 N ATOM 361 CA ASN A 25 -7.683 -0.840 -6.197 1.00 0.00 C ATOM 362 C ASN A 25 -7.176 -1.539 -4.935 1.00 0.00 C ATOM 363 O ASN A 25 -7.965 -2.073 -4.157 1.00 0.00 O ATOM 364 CB ASN A 25 -7.486 -1.794 -7.377 1.00 0.00 C ATOM 365 CG ASN A 25 -8.663 -1.710 -8.352 1.00 0.00 C ATOM 366 OD1 ASN A 25 -9.770 -2.135 -8.067 1.00 0.00 O ATOM 367 ND2 ASN A 25 -8.361 -1.139 -9.515 1.00 0.00 N ATOM 0 H ASN A 25 -6.172 0.329 -7.060 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.740 -0.588 -6.108 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.560 -1.549 -7.897 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.385 -2.816 -7.011 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.077 -1.035 -10.234 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -7.413 -0.805 -9.688 1.00 0.00 H new ATOM 374 N ALA A 26 -5.861 -1.512 -4.770 1.00 0.00 N ATOM 375 CA ALA A 26 -5.239 -2.137 -3.615 1.00 0.00 C ATOM 376 C ALA A 26 -5.913 -1.626 -2.339 1.00 0.00 C ATOM 377 O ALA A 26 -6.108 -2.383 -1.390 1.00 0.00 O ATOM 378 CB ALA A 26 -3.735 -1.857 -3.631 1.00 0.00 C ATOM 0 H ALA A 26 -5.210 -1.067 -5.417 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.370 -3.219 -3.647 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.268 -2.326 -2.765 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.299 -2.264 -4.543 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.565 -0.781 -3.597 1.00 0.00 H new ATOM 384 N LEU A 27 -6.251 -0.345 -2.359 1.00 0.00 N ATOM 385 CA LEU A 27 -6.899 0.276 -1.216 1.00 0.00 C ATOM 386 C LEU A 27 -8.299 -0.316 -1.046 1.00 0.00 C ATOM 387 O LEU A 27 -8.648 -0.794 0.032 1.00 0.00 O ATOM 388 CB LEU A 27 -6.887 1.799 -1.356 1.00 0.00 C ATOM 389 CG LEU A 27 -5.512 2.446 -1.536 1.00 0.00 C ATOM 390 CD1 LEU A 27 -5.593 3.964 -1.358 1.00 0.00 C ATOM 391 CD2 LEU A 27 -4.482 1.813 -0.599 1.00 0.00 C ATOM 0 H LEU A 27 -6.088 0.280 -3.149 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.348 0.059 -0.301 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.509 2.070 -2.209 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.356 2.229 -0.471 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.177 2.259 -2.556 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.603 4.399 -1.491 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.275 4.381 -2.099 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.959 4.194 -0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.514 2.291 -0.747 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.799 1.948 0.435 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.398 0.748 -0.816 1.00 0.00 H new ATOM 403 N SER A 28 -9.064 -0.264 -2.127 1.00 0.00 N ATOM 404 CA SER A 28 -10.419 -0.788 -2.111 1.00 0.00 C ATOM 405 C SER A 28 -10.387 -2.317 -2.046 1.00 0.00 C ATOM 406 O SER A 28 -11.430 -2.958 -1.921 1.00 0.00 O ATOM 407 CB SER A 28 -11.203 -0.326 -3.340 1.00 0.00 C ATOM 408 OG SER A 28 -11.861 0.919 -3.116 1.00 0.00 O ATOM 0 H SER A 28 -8.771 0.133 -3.020 1.00 0.00 H new ATOM 0 HA SER A 28 -10.925 -0.403 -1.226 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.525 -0.230 -4.188 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.941 -1.083 -3.606 1.00 0.00 H new ATOM 0 HG SER A 28 -12.349 1.181 -3.924 1.00 0.00 H new ATOM 414 N HIS A 29 -9.180 -2.856 -2.133 1.00 0.00 N ATOM 415 CA HIS A 29 -9.000 -4.297 -2.085 1.00 0.00 C ATOM 416 C HIS A 29 -9.042 -4.772 -0.631 1.00 0.00 C ATOM 417 O HIS A 29 -9.732 -5.738 -0.310 1.00 0.00 O ATOM 418 CB HIS A 29 -7.714 -4.707 -2.806 1.00 0.00 C ATOM 419 CG HIS A 29 -7.907 -5.036 -4.267 1.00 0.00 C ATOM 420 ND1 HIS A 29 -7.188 -6.027 -4.913 1.00 0.00 N ATOM 421 CD2 HIS A 29 -8.743 -4.496 -5.199 1.00 0.00 C ATOM 422 CE1 HIS A 29 -7.583 -6.072 -6.178 1.00 0.00 C ATOM 423 NE2 HIS A 29 -8.546 -5.122 -6.353 1.00 0.00 N ATOM 0 H HIS A 29 -8.318 -2.321 -2.236 1.00 0.00 H new ATOM 0 HA HIS A 29 -9.817 -4.787 -2.614 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -6.988 -3.899 -2.719 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -7.288 -5.574 -2.302 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -9.446 -3.695 -5.027 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -7.208 -6.743 -6.937 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -9.034 -4.925 -7.227 1.00 0.00 H new ATOM 431 N CYS A 30 -8.295 -4.070 0.209 1.00 0.00 N ATOM 432 CA CYS A 30 -8.239 -4.408 1.621 1.00 0.00 C ATOM 433 C CYS A 30 -7.298 -3.420 2.314 1.00 0.00 C ATOM 434 O CYS A 30 -7.562 -2.989 3.435 1.00 0.00 O ATOM 435 CB CYS A 30 -7.804 -5.858 1.839 1.00 0.00 C ATOM 436 SG CYS A 30 -9.264 -6.903 2.192 1.00 0.00 S ATOM 0 H CYS A 30 -7.724 -3.269 -0.061 1.00 0.00 H new ATOM 0 HA CYS A 30 -9.235 -4.327 2.057 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.287 -6.228 0.954 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -7.098 -5.914 2.667 1.00 0.00 H new ATOM 0 HG CYS A 30 -10.152 -6.738 1.257 1.00 0.00 H new ATOM 442 N CYS A 31 -6.221 -3.090 1.617 1.00 0.00 N ATOM 443 CA CYS A 31 -5.240 -2.160 2.151 1.00 0.00 C ATOM 444 C CYS A 31 -5.987 -1.022 2.850 1.00 0.00 C ATOM 445 O CYS A 31 -5.599 -0.595 3.936 1.00 0.00 O ATOM 446 CB CYS A 31 -4.300 -1.642 1.062 1.00 0.00 C ATOM 447 SG CYS A 31 -3.029 -2.902 0.680 1.00 0.00 S ATOM 0 H CYS A 31 -6.006 -3.450 0.687 1.00 0.00 H new ATOM 0 HA CYS A 31 -4.604 -2.673 2.873 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -4.868 -1.403 0.163 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.822 -0.720 1.392 1.00 0.00 H new ATOM 0 HG CYS A 31 -2.091 -2.859 1.579 1.00 0.00 H new ATOM 453 N LEU A 32 -7.044 -0.563 2.197 1.00 0.00 N ATOM 454 CA LEU A 32 -7.849 0.517 2.741 1.00 0.00 C ATOM 455 C LEU A 32 -9.291 0.370 2.252 1.00 0.00 C ATOM 456 O LEU A 32 -9.849 1.297 1.665 1.00 0.00 O ATOM 457 CB LEU A 32 -7.222 1.873 2.409 1.00 0.00 C ATOM 458 CG LEU A 32 -6.126 2.357 3.361 1.00 0.00 C ATOM 459 CD1 LEU A 32 -5.366 3.543 2.764 1.00 0.00 C ATOM 460 CD2 LEU A 32 -6.703 2.681 4.740 1.00 0.00 C ATOM 0 H LEU A 32 -7.362 -0.919 1.296 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.874 0.461 3.829 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.805 1.822 1.403 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.014 2.622 2.388 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.407 1.549 3.494 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.593 3.868 3.460 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.904 3.243 1.823 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.059 4.365 2.582 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.904 3.023 5.398 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.455 3.465 4.645 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.162 1.787 5.161 1.00 0.00 H new ATOM 472 N ALA A 33 -9.854 -0.801 2.511 1.00 0.00 N ATOM 473 CA ALA A 33 -11.220 -1.081 2.104 1.00 0.00 C ATOM 474 C ALA A 33 -12.057 -1.417 3.340 1.00 0.00 C ATOM 475 O ALA A 33 -11.700 -2.304 4.114 1.00 0.00 O ATOM 476 CB ALA A 33 -11.224 -2.212 1.073 1.00 0.00 C ATOM 0 H ALA A 33 -9.389 -1.567 2.998 1.00 0.00 H new ATOM 0 HA ALA A 33 -11.666 -0.206 1.631 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -12.249 -2.422 0.768 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -10.640 -1.913 0.203 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -10.786 -3.108 1.514 1.00 0.00 H new ATOM 482 N GLY A 34 -13.154 -0.689 3.487 1.00 0.00 N ATOM 483 CA GLY A 34 -14.045 -0.898 4.616 1.00 0.00 C ATOM 484 C GLY A 34 -14.760 0.399 4.999 1.00 0.00 C ATOM 485 O GLY A 34 -14.483 1.455 4.432 1.00 0.00 O ATOM 0 H GLY A 34 -13.446 0.046 2.843 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -14.781 -1.663 4.366 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -13.476 -1.269 5.469 1.00 0.00 H new ATOM 489 N LYS A 35 -15.666 0.278 5.957 1.00 0.00 N ATOM 490 CA LYS A 35 -16.423 1.428 6.422 1.00 0.00 C ATOM 491 C LYS A 35 -15.500 2.352 7.219 1.00 0.00 C ATOM 492 O LYS A 35 -15.513 3.567 7.024 1.00 0.00 O ATOM 493 CB LYS A 35 -17.661 0.976 7.200 1.00 0.00 C ATOM 494 CG LYS A 35 -18.484 2.178 7.666 1.00 0.00 C ATOM 495 CD LYS A 35 -18.190 2.510 9.130 1.00 0.00 C ATOM 496 CE LYS A 35 -19.133 3.599 9.645 1.00 0.00 C ATOM 497 NZ LYS A 35 -18.661 4.119 10.949 1.00 0.00 N ATOM 0 H LYS A 35 -15.894 -0.599 6.425 1.00 0.00 H new ATOM 0 HA LYS A 35 -16.799 2.004 5.576 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -18.275 0.332 6.571 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -17.357 0.383 8.062 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -18.258 3.042 7.041 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -19.546 1.965 7.544 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -18.298 1.612 9.739 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -17.156 2.841 9.231 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -19.189 4.412 8.921 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -20.140 3.196 9.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -19.312 4.857 11.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -18.630 3.344 11.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -17.709 4.522 10.838 1.00 0.00 H new ATOM 511 N VAL A 36 -14.720 1.742 8.099 1.00 0.00 N ATOM 512 CA VAL A 36 -13.793 2.495 8.926 1.00 0.00 C ATOM 513 C VAL A 36 -12.757 3.178 8.030 1.00 0.00 C ATOM 514 O VAL A 36 -12.278 4.266 8.347 1.00 0.00 O ATOM 515 CB VAL A 36 -13.163 1.577 9.976 1.00 0.00 C ATOM 516 CG1 VAL A 36 -14.238 0.906 10.832 1.00 0.00 C ATOM 517 CG2 VAL A 36 -12.255 0.535 9.319 1.00 0.00 C ATOM 0 H VAL A 36 -14.711 0.734 8.257 1.00 0.00 H new ATOM 0 HA VAL A 36 -14.318 3.278 9.472 1.00 0.00 H new ATOM 0 HB VAL A 36 -12.547 2.191 10.633 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -13.764 0.259 11.570 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -14.826 1.669 11.342 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -14.892 0.311 10.194 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -11.820 -0.104 10.087 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -12.839 -0.073 8.629 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -11.458 1.040 8.773 1.00 0.00 H new ATOM 527 N ASN A 37 -12.442 2.511 6.930 1.00 0.00 N ATOM 528 CA ASN A 37 -11.471 3.040 5.986 1.00 0.00 C ATOM 529 C ASN A 37 -12.208 3.663 4.799 1.00 0.00 C ATOM 530 O ASN A 37 -11.633 3.828 3.724 1.00 0.00 O ATOM 531 CB ASN A 37 -10.563 1.932 5.451 1.00 0.00 C ATOM 532 CG ASN A 37 -9.696 1.346 6.567 1.00 0.00 C ATOM 533 OD1 ASN A 37 -9.055 2.053 7.327 1.00 0.00 O ATOM 534 ND2 ASN A 37 -9.712 0.017 6.623 1.00 0.00 N ATOM 0 H ASN A 37 -12.841 1.609 6.671 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.865 3.782 6.505 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -11.169 1.144 5.005 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.926 2.329 4.661 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -9.166 -0.470 7.333 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -10.271 -0.515 5.956 1.00 0.00 H new ATOM 541 N GLU A 38 -13.471 3.990 5.033 1.00 0.00 N ATOM 542 CA GLU A 38 -14.292 4.591 3.995 1.00 0.00 C ATOM 543 C GLU A 38 -13.978 6.083 3.867 1.00 0.00 C ATOM 544 O GLU A 38 -13.908 6.613 2.760 1.00 0.00 O ATOM 545 CB GLU A 38 -15.779 4.365 4.275 1.00 0.00 C ATOM 546 CG GLU A 38 -16.646 5.044 3.212 1.00 0.00 C ATOM 547 CD GLU A 38 -18.035 5.370 3.764 1.00 0.00 C ATOM 548 OE1 GLU A 38 -18.781 4.402 4.032 1.00 0.00 O ATOM 549 OE2 GLU A 38 -18.321 6.578 3.905 1.00 0.00 O ATOM 0 H GLU A 38 -13.945 3.850 5.925 1.00 0.00 H new ATOM 0 HA GLU A 38 -14.057 4.108 3.046 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -15.991 3.296 4.294 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -16.031 4.757 5.260 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -16.161 5.960 2.873 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -16.740 4.392 2.343 1.00 0.00 H new ATOM 556 N PRO A 39 -13.793 6.735 5.047 1.00 0.00 N ATOM 557 CA PRO A 39 -13.489 8.155 5.077 1.00 0.00 C ATOM 558 C PRO A 39 -12.038 8.414 4.667 1.00 0.00 C ATOM 559 O PRO A 39 -11.764 9.312 3.873 1.00 0.00 O ATOM 560 CB PRO A 39 -13.790 8.592 6.501 1.00 0.00 C ATOM 561 CG PRO A 39 -13.806 7.319 7.333 1.00 0.00 C ATOM 562 CD PRO A 39 -13.869 6.139 6.377 1.00 0.00 C ATOM 0 HA PRO A 39 -14.083 8.727 4.365 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -13.033 9.287 6.865 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -14.749 9.107 6.557 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -12.913 7.259 7.956 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -14.664 7.313 8.005 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -13.045 5.446 6.548 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -14.792 5.574 6.506 1.00 0.00 H new ATOM 570 N GLN A 40 -11.146 7.610 5.227 1.00 0.00 N ATOM 571 CA GLN A 40 -9.730 7.740 4.929 1.00 0.00 C ATOM 572 C GLN A 40 -9.462 7.401 3.461 1.00 0.00 C ATOM 573 O GLN A 40 -8.864 8.194 2.736 1.00 0.00 O ATOM 574 CB GLN A 40 -8.891 6.859 5.857 1.00 0.00 C ATOM 575 CG GLN A 40 -7.540 6.523 5.222 1.00 0.00 C ATOM 576 CD GLN A 40 -6.423 6.538 6.267 1.00 0.00 C ATOM 577 OE1 GLN A 40 -6.061 5.330 6.689 1.00 0.00 O flip ATOM 578 NE2 GLN A 40 -5.924 7.577 6.665 1.00 0.00 N flip ATOM 0 H GLN A 40 -11.377 6.866 5.886 1.00 0.00 H new ATOM 0 HA GLN A 40 -9.437 8.776 5.101 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -8.733 7.371 6.806 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -9.432 5.939 6.078 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -7.590 5.541 4.752 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -7.316 7.242 4.434 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -6.249 8.472 6.299 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -5.182 7.551 7.364 1.00 0.00 H new ATOM 587 N LYS A 41 -9.918 6.221 3.068 1.00 0.00 N ATOM 588 CA LYS A 41 -9.736 5.767 1.700 1.00 0.00 C ATOM 589 C LYS A 41 -9.907 6.951 0.746 1.00 0.00 C ATOM 590 O LYS A 41 -9.037 7.217 -0.081 1.00 0.00 O ATOM 591 CB LYS A 41 -10.669 4.592 1.396 1.00 0.00 C ATOM 592 CG LYS A 41 -10.730 4.316 -0.108 1.00 0.00 C ATOM 593 CD LYS A 41 -11.916 3.412 -0.451 1.00 0.00 C ATOM 594 CE LYS A 41 -13.240 4.074 -0.064 1.00 0.00 C ATOM 595 NZ LYS A 41 -14.376 3.370 -0.700 1.00 0.00 N ATOM 0 H LYS A 41 -10.413 5.566 3.673 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.725 5.386 1.557 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.321 3.701 1.919 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -11.669 4.811 1.770 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.816 5.257 -0.651 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -9.803 3.844 -0.433 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -11.914 3.192 -1.519 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.815 2.460 0.071 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.357 4.061 1.020 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.234 5.120 -0.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -15.267 3.832 -0.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.271 3.404 -1.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.390 2.379 -0.386 1.00 0.00 H new ATOM 609 N ASN A 42 -11.035 7.630 0.895 1.00 0.00 N ATOM 610 CA ASN A 42 -11.332 8.780 0.057 1.00 0.00 C ATOM 611 C ASN A 42 -10.169 9.772 0.130 1.00 0.00 C ATOM 612 O ASN A 42 -9.690 10.249 -0.897 1.00 0.00 O ATOM 613 CB ASN A 42 -12.596 9.497 0.534 1.00 0.00 C ATOM 614 CG ASN A 42 -13.842 8.918 -0.140 1.00 0.00 C ATOM 615 OD1 ASN A 42 -14.233 9.315 -1.225 1.00 0.00 O ATOM 616 ND2 ASN A 42 -14.441 7.961 0.563 1.00 0.00 N ATOM 0 H ASN A 42 -11.754 7.406 1.583 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.482 8.425 -0.963 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -12.686 9.402 1.616 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -12.520 10.562 0.313 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -15.281 7.511 0.200 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -14.060 7.677 1.465 1.00 0.00 H new ATOM 623 N ARG A 43 -9.749 10.053 1.355 1.00 0.00 N ATOM 624 CA ARG A 43 -8.652 10.980 1.576 1.00 0.00 C ATOM 625 C ARG A 43 -7.411 10.526 0.806 1.00 0.00 C ATOM 626 O ARG A 43 -6.676 11.350 0.263 1.00 0.00 O ATOM 627 CB ARG A 43 -8.311 11.086 3.064 1.00 0.00 C ATOM 628 CG ARG A 43 -9.353 11.925 3.807 1.00 0.00 C ATOM 629 CD ARG A 43 -8.754 13.253 4.276 1.00 0.00 C ATOM 630 NE ARG A 43 -9.722 13.969 5.137 1.00 0.00 N ATOM 631 CZ ARG A 43 -9.607 15.258 5.484 1.00 0.00 C ATOM 632 NH1 ARG A 43 -8.567 15.980 5.047 1.00 0.00 N ATOM 633 NH2 ARG A 43 -10.534 15.824 6.269 1.00 0.00 N ATOM 0 H ARG A 43 -10.149 9.655 2.205 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.968 11.960 1.217 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.263 10.089 3.502 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.325 11.535 3.184 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -10.204 12.116 3.154 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -9.729 11.368 4.665 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.831 13.071 4.826 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.496 13.869 3.415 1.00 0.00 H new ATOM 0 HE ARG A 43 -10.526 13.449 5.488 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -7.862 15.549 4.450 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.480 16.961 5.312 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -11.326 15.274 6.602 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -10.448 16.805 6.534 1.00 0.00 H new ATOM 647 N ILE A 44 -7.214 9.216 0.783 1.00 0.00 N ATOM 648 CA ILE A 44 -6.074 8.642 0.089 1.00 0.00 C ATOM 649 C ILE A 44 -6.274 8.792 -1.421 1.00 0.00 C ATOM 650 O ILE A 44 -5.479 9.447 -2.093 1.00 0.00 O ATOM 651 CB ILE A 44 -5.844 7.198 0.539 1.00 0.00 C ATOM 652 CG1 ILE A 44 -6.020 7.060 2.052 1.00 0.00 C ATOM 653 CG2 ILE A 44 -4.479 6.689 0.072 1.00 0.00 C ATOM 654 CD1 ILE A 44 -5.293 8.184 2.793 1.00 0.00 C ATOM 0 H ILE A 44 -7.825 8.535 1.234 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.161 9.180 0.345 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.600 6.570 0.069 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.081 7.081 2.302 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.635 6.095 2.380 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.341 5.660 0.405 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.429 6.728 -1.016 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.693 7.316 0.494 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.434 8.062 3.867 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.229 8.145 2.560 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.697 9.147 2.481 1.00 0.00 H new ATOM 666 N LEU A 45 -7.339 8.173 -1.909 1.00 0.00 N ATOM 667 CA LEU A 45 -7.653 8.229 -3.326 1.00 0.00 C ATOM 668 C LEU A 45 -7.372 9.638 -3.851 1.00 0.00 C ATOM 669 O LEU A 45 -6.873 9.803 -4.963 1.00 0.00 O ATOM 670 CB LEU A 45 -9.085 7.753 -3.577 1.00 0.00 C ATOM 671 CG LEU A 45 -9.289 6.238 -3.630 1.00 0.00 C ATOM 672 CD1 LEU A 45 -8.449 5.534 -2.563 1.00 0.00 C ATOM 673 CD2 LEU A 45 -10.773 5.880 -3.521 1.00 0.00 C ATOM 0 H LEU A 45 -7.995 7.630 -1.348 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.013 7.547 -3.885 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.724 8.158 -2.793 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.428 8.179 -4.520 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.942 5.880 -4.600 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.613 4.458 -2.623 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.394 5.750 -2.729 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.741 5.891 -1.576 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -10.890 4.797 -3.561 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -11.169 6.253 -2.576 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -11.319 6.335 -4.348 1.00 0.00 H new ATOM 685 N GLU A 46 -7.705 10.620 -3.026 1.00 0.00 N ATOM 686 CA GLU A 46 -7.495 12.010 -3.393 1.00 0.00 C ATOM 687 C GLU A 46 -6.000 12.333 -3.414 1.00 0.00 C ATOM 688 O GLU A 46 -5.458 12.716 -4.450 1.00 0.00 O ATOM 689 CB GLU A 46 -8.245 12.947 -2.444 1.00 0.00 C ATOM 690 CG GLU A 46 -9.698 12.500 -2.267 1.00 0.00 C ATOM 691 CD GLU A 46 -10.660 13.487 -2.931 1.00 0.00 C ATOM 692 OE1 GLU A 46 -10.766 14.617 -2.407 1.00 0.00 O ATOM 693 OE2 GLU A 46 -11.267 13.090 -3.949 1.00 0.00 O ATOM 0 H GLU A 46 -8.119 10.480 -2.104 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.895 12.165 -4.395 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.746 12.965 -1.475 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.219 13.964 -2.835 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.833 11.509 -2.700 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.930 12.419 -1.205 1.00 0.00 H new ATOM 700 N GLU A 47 -5.375 12.168 -2.257 1.00 0.00 N ATOM 701 CA GLU A 47 -3.953 12.438 -2.130 1.00 0.00 C ATOM 702 C GLU A 47 -3.212 11.989 -3.391 1.00 0.00 C ATOM 703 O GLU A 47 -2.462 12.763 -3.983 1.00 0.00 O ATOM 704 CB GLU A 47 -3.375 11.760 -0.885 1.00 0.00 C ATOM 705 CG GLU A 47 -4.041 12.291 0.386 1.00 0.00 C ATOM 706 CD GLU A 47 -4.253 11.168 1.404 1.00 0.00 C ATOM 707 OE1 GLU A 47 -3.494 10.178 1.322 1.00 0.00 O ATOM 708 OE2 GLU A 47 -5.168 11.326 2.241 1.00 0.00 O ATOM 0 H GLU A 47 -5.827 11.851 -1.400 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.817 13.513 -2.015 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.520 10.682 -0.953 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.300 11.935 -0.837 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.422 13.073 0.826 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.000 12.746 0.136 1.00 0.00 H new ATOM 715 N ILE A 48 -3.450 10.740 -3.765 1.00 0.00 N ATOM 716 CA ILE A 48 -2.815 10.179 -4.946 1.00 0.00 C ATOM 717 C ILE A 48 -3.150 11.046 -6.161 1.00 0.00 C ATOM 718 O ILE A 48 -2.257 11.458 -6.900 1.00 0.00 O ATOM 719 CB ILE A 48 -3.201 8.708 -5.114 1.00 0.00 C ATOM 720 CG1 ILE A 48 -2.826 7.897 -3.872 1.00 0.00 C ATOM 721 CG2 ILE A 48 -2.588 8.122 -6.388 1.00 0.00 C ATOM 722 CD1 ILE A 48 -3.462 6.506 -3.913 1.00 0.00 C ATOM 0 H ILE A 48 -4.073 10.101 -3.271 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.731 10.189 -4.837 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.284 8.650 -5.222 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.742 7.803 -3.808 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.154 8.424 -2.976 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.878 7.076 -6.483 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.947 8.678 -7.254 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.502 8.194 -6.336 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.180 5.950 -3.019 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.547 6.603 -3.952 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.113 5.972 -4.797 1.00 0.00 H new ATOM 734 N GLU A 49 -4.440 11.297 -6.330 1.00 0.00 N ATOM 735 CA GLU A 49 -4.905 12.107 -7.443 1.00 0.00 C ATOM 736 C GLU A 49 -4.274 13.500 -7.385 1.00 0.00 C ATOM 737 O GLU A 49 -3.867 14.044 -8.410 1.00 0.00 O ATOM 738 CB GLU A 49 -6.432 12.197 -7.456 1.00 0.00 C ATOM 739 CG GLU A 49 -7.054 10.884 -7.937 1.00 0.00 C ATOM 740 CD GLU A 49 -8.372 11.139 -8.671 1.00 0.00 C ATOM 741 OE1 GLU A 49 -9.106 12.046 -8.222 1.00 0.00 O ATOM 742 OE2 GLU A 49 -8.617 10.421 -9.665 1.00 0.00 O ATOM 0 H GLU A 49 -5.178 10.954 -5.715 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.595 11.627 -8.371 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.795 12.430 -6.455 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.746 13.013 -8.107 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.358 10.369 -8.599 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.229 10.227 -7.085 1.00 0.00 H new ATOM 749 N LYS A 50 -4.214 14.037 -6.176 1.00 0.00 N ATOM 750 CA LYS A 50 -3.640 15.356 -5.970 1.00 0.00 C ATOM 751 C LYS A 50 -2.129 15.292 -6.202 1.00 0.00 C ATOM 752 O LYS A 50 -1.533 16.244 -6.705 1.00 0.00 O ATOM 753 CB LYS A 50 -4.028 15.902 -4.595 1.00 0.00 C ATOM 754 CG LYS A 50 -2.825 15.913 -3.650 1.00 0.00 C ATOM 755 CD LYS A 50 -3.241 16.330 -2.238 1.00 0.00 C ATOM 756 CE LYS A 50 -4.208 17.515 -2.278 1.00 0.00 C ATOM 757 NZ LYS A 50 -4.062 18.344 -1.061 1.00 0.00 N ATOM 0 H LYS A 50 -4.554 13.583 -5.328 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.045 16.064 -6.693 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.422 16.913 -4.699 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.824 15.292 -4.169 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.371 14.922 -3.622 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.068 16.600 -4.028 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.713 15.488 -1.731 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.357 16.597 -1.659 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.014 18.121 -3.163 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.233 17.153 -2.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.725 19.144 -1.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.269 17.767 -0.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.088 18.705 -1.001 1.00 0.00 H new ATOM 771 N SER A 51 -1.552 14.160 -5.825 1.00 0.00 N ATOM 772 CA SER A 51 -0.122 13.960 -5.985 1.00 0.00 C ATOM 773 C SER A 51 0.202 13.650 -7.448 1.00 0.00 C ATOM 774 O SER A 51 -0.532 12.916 -8.109 1.00 0.00 O ATOM 775 CB SER A 51 0.381 12.833 -5.080 1.00 0.00 C ATOM 776 OG SER A 51 1.795 12.675 -5.160 1.00 0.00 O ATOM 0 H SER A 51 -2.049 13.372 -5.409 1.00 0.00 H new ATOM 0 HA SER A 51 0.387 14.879 -5.693 1.00 0.00 H new ATOM 0 HB2 SER A 51 0.097 13.042 -4.049 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.105 11.898 -5.361 1.00 0.00 H new ATOM 0 HG SER A 51 2.174 12.657 -4.256 1.00 0.00 H new ATOM 782 N LYS A 52 1.302 14.224 -7.912 1.00 0.00 N ATOM 783 CA LYS A 52 1.733 14.019 -9.284 1.00 0.00 C ATOM 784 C LYS A 52 2.703 12.837 -9.339 1.00 0.00 C ATOM 785 O LYS A 52 3.514 12.736 -10.258 1.00 0.00 O ATOM 786 CB LYS A 52 2.306 15.312 -9.866 1.00 0.00 C ATOM 787 CG LYS A 52 2.700 15.127 -11.332 1.00 0.00 C ATOM 788 CD LYS A 52 1.946 16.110 -12.231 1.00 0.00 C ATOM 789 CE LYS A 52 2.879 17.210 -12.743 1.00 0.00 C ATOM 790 NZ LYS A 52 2.404 17.726 -14.046 1.00 0.00 N ATOM 0 H LYS A 52 1.908 14.832 -7.361 1.00 0.00 H new ATOM 0 HA LYS A 52 0.882 13.763 -9.915 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.569 16.111 -9.782 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.177 15.620 -9.288 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.774 15.275 -11.445 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.485 14.105 -11.644 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.510 15.576 -13.075 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.121 16.557 -11.676 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.925 18.023 -12.018 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.891 16.818 -12.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.048 18.472 -14.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.383 16.951 -14.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.447 18.119 -13.936 1.00 0.00 H new ATOM 804 N ALA A 53 2.587 11.971 -8.342 1.00 0.00 N ATOM 805 CA ALA A 53 3.444 10.800 -8.265 1.00 0.00 C ATOM 806 C ALA A 53 2.752 9.621 -8.950 1.00 0.00 C ATOM 807 O ALA A 53 1.524 9.567 -9.011 1.00 0.00 O ATOM 808 CB ALA A 53 3.780 10.509 -6.800 1.00 0.00 C ATOM 0 H ALA A 53 1.913 12.057 -7.581 1.00 0.00 H new ATOM 0 HA ALA A 53 4.385 10.978 -8.786 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.423 9.631 -6.742 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.297 11.366 -6.368 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.860 10.323 -6.246 1.00 0.00 H new ATOM 814 N ASN A 54 3.569 8.705 -9.449 1.00 0.00 N ATOM 815 CA ASN A 54 3.050 7.529 -10.128 1.00 0.00 C ATOM 816 C ASN A 54 3.506 6.273 -9.383 1.00 0.00 C ATOM 817 O ASN A 54 3.126 5.160 -9.745 1.00 0.00 O ATOM 818 CB ASN A 54 3.574 7.446 -11.562 1.00 0.00 C ATOM 819 CG ASN A 54 3.088 8.634 -12.394 1.00 0.00 C ATOM 820 OD1 ASN A 54 1.961 8.681 -12.858 1.00 0.00 O ATOM 821 ND2 ASN A 54 3.999 9.589 -12.557 1.00 0.00 N ATOM 0 H ASN A 54 4.587 8.753 -9.397 1.00 0.00 H new ATOM 0 HA ASN A 54 1.963 7.601 -10.146 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.664 7.425 -11.554 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.241 6.515 -12.021 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.772 10.424 -13.098 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.925 9.487 -12.141 1.00 0.00 H new ATOM 828 N HIS A 55 4.314 6.493 -8.357 1.00 0.00 N ATOM 829 CA HIS A 55 4.826 5.392 -7.558 1.00 0.00 C ATOM 830 C HIS A 55 4.341 5.536 -6.115 1.00 0.00 C ATOM 831 O HIS A 55 4.969 6.222 -5.310 1.00 0.00 O ATOM 832 CB HIS A 55 6.350 5.306 -7.666 1.00 0.00 C ATOM 833 CG HIS A 55 6.910 3.937 -7.364 1.00 0.00 C ATOM 834 ND1 HIS A 55 8.241 3.612 -7.558 1.00 0.00 N ATOM 835 CD2 HIS A 55 6.307 2.814 -6.878 1.00 0.00 C ATOM 836 CE1 HIS A 55 8.420 2.347 -7.204 1.00 0.00 C ATOM 837 NE2 HIS A 55 7.219 1.855 -6.783 1.00 0.00 N ATOM 0 H HIS A 55 4.627 7.417 -8.060 1.00 0.00 H new ATOM 0 HA HIS A 55 4.439 4.448 -7.942 1.00 0.00 H new ATOM 0 HB2 HIS A 55 6.650 5.596 -8.673 1.00 0.00 H new ATOM 0 HB3 HIS A 55 6.794 6.028 -6.981 1.00 0.00 H new ATOM 0 HD2 HIS A 55 5.264 2.721 -6.615 1.00 0.00 H new ATOM 0 HE1 HIS A 55 9.352 1.802 -7.242 1.00 0.00 H new ATOM 0 HE2 HIS A 55 7.050 0.906 -6.450 1.00 0.00 H new ATOM 845 N PHE A 56 3.226 4.878 -5.830 1.00 0.00 N ATOM 846 CA PHE A 56 2.649 4.924 -4.498 1.00 0.00 C ATOM 847 C PHE A 56 2.809 3.580 -3.784 1.00 0.00 C ATOM 848 O PHE A 56 2.354 2.551 -4.282 1.00 0.00 O ATOM 849 CB PHE A 56 1.158 5.225 -4.666 1.00 0.00 C ATOM 850 CG PHE A 56 0.866 6.584 -5.304 1.00 0.00 C ATOM 851 CD1 PHE A 56 0.844 7.706 -4.536 1.00 0.00 C ATOM 852 CD2 PHE A 56 0.627 6.671 -6.641 1.00 0.00 C ATOM 853 CE1 PHE A 56 0.573 8.967 -5.128 1.00 0.00 C ATOM 854 CE2 PHE A 56 0.356 7.932 -7.233 1.00 0.00 C ATOM 855 CZ PHE A 56 0.334 9.054 -6.465 1.00 0.00 C ATOM 0 H PHE A 56 2.707 4.310 -6.500 1.00 0.00 H new ATOM 0 HA PHE A 56 3.153 5.684 -3.901 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.707 4.444 -5.277 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.677 5.183 -3.689 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.033 7.637 -3.475 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.644 5.780 -7.252 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.556 9.858 -4.517 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.167 8.001 -8.294 1.00 0.00 H new ATOM 0 HZ PHE A 56 0.127 10.013 -6.916 1.00 0.00 H new ATOM 865 N LEU A 57 3.457 3.633 -2.630 1.00 0.00 N ATOM 866 CA LEU A 57 3.682 2.432 -1.843 1.00 0.00 C ATOM 867 C LEU A 57 2.730 2.426 -0.645 1.00 0.00 C ATOM 868 O LEU A 57 2.105 3.441 -0.340 1.00 0.00 O ATOM 869 CB LEU A 57 5.158 2.315 -1.456 1.00 0.00 C ATOM 870 CG LEU A 57 6.069 1.642 -2.484 1.00 0.00 C ATOM 871 CD1 LEU A 57 6.688 2.675 -3.428 1.00 0.00 C ATOM 872 CD2 LEU A 57 7.133 0.784 -1.796 1.00 0.00 C ATOM 0 H LEU A 57 3.833 4.488 -2.221 1.00 0.00 H new ATOM 0 HA LEU A 57 3.458 1.543 -2.432 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.542 3.316 -1.260 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.225 1.759 -0.521 1.00 0.00 H new ATOM 0 HG LEU A 57 5.461 0.973 -3.093 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.331 2.170 -4.149 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.896 3.205 -3.957 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.278 3.387 -2.851 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.767 0.317 -2.550 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.743 1.412 -1.147 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.648 0.011 -1.200 1.00 0.00 H new ATOM 884 N ILE A 58 2.650 1.272 0.000 1.00 0.00 N ATOM 885 CA ILE A 58 1.784 1.121 1.158 1.00 0.00 C ATOM 886 C ILE A 58 2.633 0.768 2.381 1.00 0.00 C ATOM 887 O ILE A 58 3.313 -0.257 2.394 1.00 0.00 O ATOM 888 CB ILE A 58 0.673 0.110 0.867 1.00 0.00 C ATOM 889 CG1 ILE A 58 -0.246 0.611 -0.248 1.00 0.00 C ATOM 890 CG2 ILE A 58 -0.104 -0.232 2.140 1.00 0.00 C ATOM 891 CD1 ILE A 58 -0.890 -0.559 -0.995 1.00 0.00 C ATOM 0 H ILE A 58 3.170 0.433 -0.256 1.00 0.00 H new ATOM 0 HA ILE A 58 1.278 2.060 1.381 1.00 0.00 H new ATOM 0 HB ILE A 58 1.134 -0.812 0.514 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.022 1.249 0.175 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.324 1.223 -0.947 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.888 -0.952 1.905 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.575 -0.662 2.876 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.554 0.674 2.546 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.539 -0.175 -1.782 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.112 -1.181 -1.437 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.479 -1.155 -0.298 1.00 0.00 H new ATOM 903 N LEU A 59 2.565 1.637 3.379 1.00 0.00 N ATOM 904 CA LEU A 59 3.319 1.429 4.604 1.00 0.00 C ATOM 905 C LEU A 59 2.506 0.550 5.555 1.00 0.00 C ATOM 906 O LEU A 59 1.496 0.990 6.103 1.00 0.00 O ATOM 907 CB LEU A 59 3.735 2.771 5.210 1.00 0.00 C ATOM 908 CG LEU A 59 4.665 2.699 6.423 1.00 0.00 C ATOM 909 CD1 LEU A 59 6.056 2.206 6.018 1.00 0.00 C ATOM 910 CD2 LEU A 59 4.723 4.044 7.150 1.00 0.00 C ATOM 0 H LEU A 59 2.000 2.486 3.365 1.00 0.00 H new ATOM 0 HA LEU A 59 4.248 0.898 4.395 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.225 3.361 4.435 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.834 3.312 5.499 1.00 0.00 H new ATOM 0 HG LEU A 59 4.257 1.971 7.124 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.698 2.164 6.898 1.00 0.00 H new ATOM 0 HD12 LEU A 59 5.976 1.211 5.579 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.486 2.891 5.288 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.391 3.965 8.008 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.095 4.810 6.469 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.724 4.316 7.491 1.00 0.00 H new ATOM 922 N PHE A 60 2.975 -0.678 5.722 1.00 0.00 N ATOM 923 CA PHE A 60 2.304 -1.623 6.598 1.00 0.00 C ATOM 924 C PHE A 60 2.788 -1.473 8.041 1.00 0.00 C ATOM 925 O PHE A 60 3.876 -0.952 8.284 1.00 0.00 O ATOM 926 CB PHE A 60 2.657 -3.025 6.098 1.00 0.00 C ATOM 927 CG PHE A 60 1.950 -3.419 4.799 1.00 0.00 C ATOM 928 CD1 PHE A 60 0.631 -3.134 4.630 1.00 0.00 C ATOM 929 CD2 PHE A 60 2.641 -4.054 3.815 1.00 0.00 C ATOM 930 CE1 PHE A 60 -0.025 -3.499 3.425 1.00 0.00 C ATOM 931 CE2 PHE A 60 1.984 -4.420 2.610 1.00 0.00 C ATOM 932 CZ PHE A 60 0.665 -4.135 2.440 1.00 0.00 C ATOM 0 H PHE A 60 3.812 -1.040 5.265 1.00 0.00 H new ATOM 0 HA PHE A 60 1.229 -1.444 6.583 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.735 -3.085 5.946 1.00 0.00 H new ATOM 0 HB3 PHE A 60 2.404 -3.750 6.872 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.083 -2.630 5.412 1.00 0.00 H new ATOM 0 HD2 PHE A 60 3.689 -4.280 3.950 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.072 -3.272 3.290 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.532 -4.925 1.828 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.166 -4.413 1.524 1.00 0.00 H new ATOM 942 N ARG A 61 1.957 -1.938 8.962 1.00 0.00 N ATOM 943 CA ARG A 61 2.287 -1.861 10.375 1.00 0.00 C ATOM 944 C ARG A 61 3.516 -2.721 10.681 1.00 0.00 C ATOM 945 O ARG A 61 4.359 -2.339 11.491 1.00 0.00 O ATOM 946 CB ARG A 61 1.116 -2.332 11.241 1.00 0.00 C ATOM 947 CG ARG A 61 0.981 -1.469 12.496 1.00 0.00 C ATOM 948 CD ARG A 61 -0.349 -0.713 12.501 1.00 0.00 C ATOM 949 NE ARG A 61 -1.167 -1.133 13.661 1.00 0.00 N ATOM 950 CZ ARG A 61 -2.465 -0.837 13.812 1.00 0.00 C ATOM 951 NH1 ARG A 61 -3.101 -0.117 12.879 1.00 0.00 N ATOM 952 NH2 ARG A 61 -3.126 -1.261 14.898 1.00 0.00 N ATOM 0 H ARG A 61 1.056 -2.369 8.757 1.00 0.00 H new ATOM 0 HA ARG A 61 2.501 -0.818 10.609 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.192 -2.289 10.664 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.265 -3.373 11.526 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.049 -2.098 13.383 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.807 -0.759 12.544 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.166 0.361 12.545 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.890 -0.907 11.575 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.714 -1.682 14.391 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.597 0.206 12.053 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.089 0.108 12.994 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.641 -1.809 15.609 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.114 -1.036 15.014 1.00 0.00 H new ATOM 1011 N GLN A 66 -2.042 -4.216 6.814 1.00 0.00 N ATOM 1012 CA GLN A 66 -2.687 -3.200 7.628 1.00 0.00 C ATOM 1013 C GLN A 66 -2.128 -1.817 7.292 1.00 0.00 C ATOM 1014 O GLN A 66 -1.297 -1.283 8.026 1.00 0.00 O ATOM 1015 CB GLN A 66 -2.527 -3.509 9.118 1.00 0.00 C ATOM 1016 CG GLN A 66 -3.407 -4.690 9.531 1.00 0.00 C ATOM 1017 CD GLN A 66 -3.987 -4.479 10.931 1.00 0.00 C ATOM 1018 OE1 GLN A 66 -4.827 -3.625 11.161 1.00 0.00 O ATOM 1019 NE2 GLN A 66 -3.493 -5.303 11.851 1.00 0.00 N ATOM 0 HA GLN A 66 -3.753 -3.204 7.402 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.483 -3.735 9.336 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -2.792 -2.630 9.706 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -4.217 -4.813 8.813 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.821 -5.609 9.511 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -2.791 -5.996 11.591 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -3.816 -5.242 12.817 1.00 0.00 H new ATOM 1028 N PHE A 67 -2.605 -1.275 6.181 1.00 0.00 N ATOM 1029 CA PHE A 67 -2.163 0.037 5.739 1.00 0.00 C ATOM 1030 C PHE A 67 -2.028 0.998 6.921 1.00 0.00 C ATOM 1031 O PHE A 67 -2.900 1.049 7.787 1.00 0.00 O ATOM 1032 CB PHE A 67 -3.232 0.570 4.783 1.00 0.00 C ATOM 1033 CG PHE A 67 -2.950 1.979 4.258 1.00 0.00 C ATOM 1034 CD1 PHE A 67 -3.301 3.064 4.999 1.00 0.00 C ATOM 1035 CD2 PHE A 67 -2.348 2.147 3.050 1.00 0.00 C ATOM 1036 CE1 PHE A 67 -3.039 4.372 4.512 1.00 0.00 C ATOM 1037 CE2 PHE A 67 -2.086 3.455 2.562 1.00 0.00 C ATOM 1038 CZ PHE A 67 -2.437 4.540 3.304 1.00 0.00 C ATOM 0 H PHE A 67 -3.293 -1.720 5.574 1.00 0.00 H new ATOM 0 HA PHE A 67 -1.188 -0.042 5.257 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.320 -0.111 3.937 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.195 0.570 5.294 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.779 2.931 5.958 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.069 1.285 2.462 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.318 5.233 5.101 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -1.608 3.588 1.603 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.238 5.535 2.934 1.00 0.00 H new ATOM 1048 N ARG A 68 -0.927 1.736 6.920 1.00 0.00 N ATOM 1049 CA ARG A 68 -0.667 2.693 7.982 1.00 0.00 C ATOM 1050 C ARG A 68 -0.573 4.109 7.410 1.00 0.00 C ATOM 1051 O ARG A 68 -1.037 5.065 8.030 1.00 0.00 O ATOM 1052 CB ARG A 68 0.633 2.360 8.717 1.00 0.00 C ATOM 1053 CG ARG A 68 0.356 1.948 10.164 1.00 0.00 C ATOM 1054 CD ARG A 68 0.165 3.176 11.056 1.00 0.00 C ATOM 1055 NE ARG A 68 1.271 3.267 12.035 1.00 0.00 N ATOM 1056 CZ ARG A 68 1.210 3.969 13.175 1.00 0.00 C ATOM 1057 NH1 ARG A 68 0.097 4.646 13.486 1.00 0.00 N ATOM 1058 NH2 ARG A 68 2.263 3.995 14.003 1.00 0.00 N ATOM 0 H ARG A 68 -0.205 1.690 6.201 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.495 2.637 8.688 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.151 1.553 8.199 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.295 3.226 8.702 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.536 1.323 10.204 1.00 0.00 H new ATOM 0 HG3 ARG A 68 1.184 1.346 10.540 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.134 4.078 10.445 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.790 3.112 11.578 1.00 0.00 H new ATOM 0 HE ARG A 68 2.134 2.764 11.829 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -0.704 4.627 12.855 1.00 0.00 H new ATOM 0 HH12 ARG A 68 0.051 5.180 14.354 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.111 3.481 13.766 1.00 0.00 H new ATOM 0 HH22 ARG A 68 2.216 4.529 14.871 1.00 0.00 H new ATOM 1072 N ALA A 69 0.030 4.199 6.234 1.00 0.00 N ATOM 1073 CA ALA A 69 0.190 5.482 5.571 1.00 0.00 C ATOM 1074 C ALA A 69 0.779 5.261 4.176 1.00 0.00 C ATOM 1075 O ALA A 69 1.696 4.459 4.006 1.00 0.00 O ATOM 1076 CB ALA A 69 1.062 6.397 6.433 1.00 0.00 C ATOM 0 H ALA A 69 0.414 3.404 5.723 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.775 5.973 5.447 1.00 0.00 H new ATOM 0 HB1 ALA A 69 1.182 7.359 5.936 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.586 6.546 7.402 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.040 5.938 6.576 1.00 0.00 H new ATOM 1082 N LEU A 70 0.228 5.986 3.214 1.00 0.00 N ATOM 1083 CA LEU A 70 0.687 5.879 1.840 1.00 0.00 C ATOM 1084 C LEU A 70 1.892 6.799 1.636 1.00 0.00 C ATOM 1085 O LEU A 70 2.019 7.820 2.311 1.00 0.00 O ATOM 1086 CB LEU A 70 -0.464 6.147 0.868 1.00 0.00 C ATOM 1087 CG LEU A 70 -0.154 5.930 -0.615 1.00 0.00 C ATOM 1088 CD1 LEU A 70 -0.780 4.629 -1.120 1.00 0.00 C ATOM 1089 CD2 LEU A 70 -0.590 7.137 -1.448 1.00 0.00 C ATOM 0 H LEU A 70 -0.532 6.650 3.359 1.00 0.00 H new ATOM 0 HA LEU A 70 1.022 4.864 1.628 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.301 5.505 1.142 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.795 7.177 1.003 1.00 0.00 H new ATOM 0 HG LEU A 70 0.926 5.834 -0.729 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.545 4.498 -2.176 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.380 3.789 -0.553 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.862 4.672 -0.991 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.359 6.957 -2.498 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.663 7.289 -1.334 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.059 8.026 -1.106 1.00 0.00 H new ATOM 1101 N TYR A 71 2.746 6.406 0.703 1.00 0.00 N ATOM 1102 CA TYR A 71 3.936 7.183 0.401 1.00 0.00 C ATOM 1103 C TYR A 71 4.257 7.137 -1.094 1.00 0.00 C ATOM 1104 O TYR A 71 3.920 6.170 -1.775 1.00 0.00 O ATOM 1105 CB TYR A 71 5.078 6.523 1.177 1.00 0.00 C ATOM 1106 CG TYR A 71 5.115 6.889 2.662 1.00 0.00 C ATOM 1107 CD1 TYR A 71 4.172 6.369 3.525 1.00 0.00 C ATOM 1108 CD2 TYR A 71 6.091 7.740 3.139 1.00 0.00 C ATOM 1109 CE1 TYR A 71 4.207 6.713 4.922 1.00 0.00 C ATOM 1110 CE2 TYR A 71 6.126 8.085 4.536 1.00 0.00 C ATOM 1111 CZ TYR A 71 5.182 7.555 5.359 1.00 0.00 C ATOM 1112 OH TYR A 71 5.215 7.880 6.679 1.00 0.00 O ATOM 0 H TYR A 71 2.637 5.559 0.146 1.00 0.00 H new ATOM 0 HA TYR A 71 3.792 8.228 0.676 1.00 0.00 H new ATOM 0 HB2 TYR A 71 4.990 5.441 1.082 1.00 0.00 H new ATOM 0 HB3 TYR A 71 6.026 6.807 0.720 1.00 0.00 H new ATOM 0 HD1 TYR A 71 3.407 5.704 3.152 1.00 0.00 H new ATOM 0 HD2 TYR A 71 6.829 8.147 2.464 1.00 0.00 H new ATOM 0 HE1 TYR A 71 3.476 6.312 5.608 1.00 0.00 H new ATOM 0 HE2 TYR A 71 6.885 8.750 4.922 1.00 0.00 H new ATOM 0 HH TYR A 71 5.974 8.475 6.850 1.00 0.00 H new ATOM 1122 N THR A 72 4.905 8.194 -1.560 1.00 0.00 N ATOM 1123 CA THR A 72 5.275 8.287 -2.962 1.00 0.00 C ATOM 1124 C THR A 72 6.792 8.171 -3.122 1.00 0.00 C ATOM 1125 O THR A 72 7.546 8.852 -2.429 1.00 0.00 O ATOM 1126 CB THR A 72 4.703 9.593 -3.517 1.00 0.00 C ATOM 1127 OG1 THR A 72 4.870 10.525 -2.453 1.00 0.00 O ATOM 1128 CG2 THR A 72 3.188 9.529 -3.722 1.00 0.00 C ATOM 0 H THR A 72 5.183 8.994 -0.991 1.00 0.00 H new ATOM 0 HA THR A 72 4.855 7.462 -3.537 1.00 0.00 H new ATOM 0 HB THR A 72 5.188 9.827 -4.465 1.00 0.00 H new ATOM 0 HG1 THR A 72 4.526 11.401 -2.728 1.00 0.00 H new ATOM 0 HG21 THR A 72 2.834 10.481 -4.117 1.00 0.00 H new ATOM 0 HG22 THR A 72 2.950 8.732 -4.427 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.700 9.328 -2.768 1.00 0.00 H new ATOM 1136 N LEU A 73 7.194 7.304 -4.039 1.00 0.00 N ATOM 1137 CA LEU A 73 8.608 7.091 -4.299 1.00 0.00 C ATOM 1138 C LEU A 73 9.108 8.154 -5.279 1.00 0.00 C ATOM 1139 O LEU A 73 8.459 8.428 -6.287 1.00 0.00 O ATOM 1140 CB LEU A 73 8.856 5.656 -4.768 1.00 0.00 C ATOM 1141 CG LEU A 73 10.272 5.346 -5.258 1.00 0.00 C ATOM 1142 CD1 LEU A 73 11.320 5.869 -4.274 1.00 0.00 C ATOM 1143 CD2 LEU A 73 10.441 3.851 -5.534 1.00 0.00 C ATOM 0 H LEU A 73 6.565 6.740 -4.612 1.00 0.00 H new ATOM 0 HA LEU A 73 9.186 7.206 -3.382 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.621 4.980 -3.945 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.157 5.432 -5.574 1.00 0.00 H new ATOM 0 HG LEU A 73 10.429 5.868 -6.202 1.00 0.00 H new ATOM 0 HD11 LEU A 73 12.317 5.635 -4.646 1.00 0.00 H new ATOM 0 HD12 LEU A 73 11.215 6.949 -4.171 1.00 0.00 H new ATOM 0 HD13 LEU A 73 11.175 5.396 -3.303 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.456 3.658 -5.881 1.00 0.00 H new ATOM 0 HD22 LEU A 73 10.257 3.289 -4.618 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.730 3.540 -6.300 1.00 0.00 H new ATOM 1155 N SER A 74 10.258 8.723 -4.949 1.00 0.00 N ATOM 1156 CA SER A 74 10.853 9.750 -5.788 1.00 0.00 C ATOM 1157 C SER A 74 11.573 9.104 -6.973 1.00 0.00 C ATOM 1158 O SER A 74 12.476 8.290 -6.787 1.00 0.00 O ATOM 1159 CB SER A 74 11.823 10.621 -4.988 1.00 0.00 C ATOM 1160 OG SER A 74 11.257 11.887 -4.658 1.00 0.00 O ATOM 0 H SER A 74 10.794 8.493 -4.112 1.00 0.00 H new ATOM 0 HA SER A 74 10.055 10.392 -6.162 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.107 10.101 -4.073 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.735 10.771 -5.565 1.00 0.00 H new ATOM 0 HG SER A 74 11.907 12.413 -4.146 1.00 0.00 H new ATOM 1166 N GLY A 75 11.147 9.492 -8.166 1.00 0.00 N ATOM 1167 CA GLY A 75 11.740 8.962 -9.382 1.00 0.00 C ATOM 1168 C GLY A 75 13.122 9.570 -9.629 1.00 0.00 C ATOM 1169 O GLY A 75 13.819 9.178 -10.564 1.00 0.00 O ATOM 0 H GLY A 75 10.398 10.168 -8.316 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.824 7.878 -9.307 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.089 9.173 -10.230 1.00 0.00 H new ATOM 1173 N GLU A 76 13.477 10.518 -8.774 1.00 0.00 N ATOM 1174 CA GLU A 76 14.764 11.184 -8.887 1.00 0.00 C ATOM 1175 C GLU A 76 15.830 10.417 -8.103 1.00 0.00 C ATOM 1176 O GLU A 76 17.004 10.427 -8.471 1.00 0.00 O ATOM 1177 CB GLU A 76 14.673 12.636 -8.413 1.00 0.00 C ATOM 1178 CG GLU A 76 14.298 12.706 -6.931 1.00 0.00 C ATOM 1179 CD GLU A 76 12.963 13.429 -6.737 1.00 0.00 C ATOM 1180 OE1 GLU A 76 11.973 12.962 -7.340 1.00 0.00 O ATOM 1181 OE2 GLU A 76 12.964 14.431 -5.989 1.00 0.00 O ATOM 0 H GLU A 76 12.896 10.841 -8.000 1.00 0.00 H new ATOM 0 HA GLU A 76 15.053 11.197 -9.938 1.00 0.00 H new ATOM 0 HB2 GLU A 76 15.628 13.136 -8.574 1.00 0.00 H new ATOM 0 HB3 GLU A 76 13.930 13.170 -9.006 1.00 0.00 H new ATOM 0 HG2 GLU A 76 14.233 11.698 -6.521 1.00 0.00 H new ATOM 0 HG3 GLU A 76 15.081 13.225 -6.378 1.00 0.00 H new ATOM 1188 N THR A 77 15.384 9.770 -7.037 1.00 0.00 N ATOM 1189 CA THR A 77 16.285 8.999 -6.197 1.00 0.00 C ATOM 1190 C THR A 77 15.667 7.641 -5.859 1.00 0.00 C ATOM 1191 O THR A 77 14.960 7.055 -6.677 1.00 0.00 O ATOM 1192 CB THR A 77 16.617 9.840 -4.963 1.00 0.00 C ATOM 1193 OG1 THR A 77 15.385 9.913 -4.251 1.00 0.00 O ATOM 1194 CG2 THR A 77 16.932 11.295 -5.314 1.00 0.00 C ATOM 0 H THR A 77 14.410 9.764 -6.735 1.00 0.00 H new ATOM 0 HA THR A 77 17.217 8.777 -6.716 1.00 0.00 H new ATOM 0 HB THR A 77 17.468 9.400 -4.442 1.00 0.00 H new ATOM 0 HG1 THR A 77 15.510 10.440 -3.434 1.00 0.00 H new ATOM 0 HG21 THR A 77 17.161 11.848 -4.403 1.00 0.00 H new ATOM 0 HG22 THR A 77 17.791 11.330 -5.985 1.00 0.00 H new ATOM 0 HG23 THR A 77 16.070 11.746 -5.805 1.00 0.00 H new ATOM 1202 N GLU A 78 15.958 7.179 -4.651 1.00 0.00 N ATOM 1203 CA GLU A 78 15.440 5.900 -4.195 1.00 0.00 C ATOM 1204 C GLU A 78 14.629 6.084 -2.910 1.00 0.00 C ATOM 1205 O GLU A 78 14.053 5.129 -2.393 1.00 0.00 O ATOM 1206 CB GLU A 78 16.572 4.892 -3.989 1.00 0.00 C ATOM 1207 CG GLU A 78 17.387 4.714 -5.271 1.00 0.00 C ATOM 1208 CD GLU A 78 18.491 3.672 -5.079 1.00 0.00 C ATOM 1209 OE1 GLU A 78 19.458 3.996 -4.356 1.00 0.00 O ATOM 1210 OE2 GLU A 78 18.343 2.575 -5.660 1.00 0.00 O ATOM 0 H GLU A 78 16.545 7.667 -3.975 1.00 0.00 H new ATOM 0 HA GLU A 78 14.779 5.502 -4.965 1.00 0.00 H new ATOM 0 HB2 GLU A 78 17.224 5.231 -3.184 1.00 0.00 H new ATOM 0 HB3 GLU A 78 16.158 3.932 -3.681 1.00 0.00 H new ATOM 0 HG2 GLU A 78 16.730 4.407 -6.084 1.00 0.00 H new ATOM 0 HG3 GLU A 78 17.828 5.668 -5.561 1.00 0.00 H new ATOM 1217 N GLU A 79 14.612 7.320 -2.431 1.00 0.00 N ATOM 1218 CA GLU A 79 13.882 7.641 -1.217 1.00 0.00 C ATOM 1219 C GLU A 79 12.395 7.833 -1.526 1.00 0.00 C ATOM 1220 O GLU A 79 12.017 8.014 -2.682 1.00 0.00 O ATOM 1221 CB GLU A 79 14.465 8.883 -0.539 1.00 0.00 C ATOM 1222 CG GLU A 79 15.836 8.581 0.071 1.00 0.00 C ATOM 1223 CD GLU A 79 16.885 8.360 -1.021 1.00 0.00 C ATOM 1224 OE1 GLU A 79 17.330 9.378 -1.595 1.00 0.00 O ATOM 1225 OE2 GLU A 79 17.217 7.179 -1.258 1.00 0.00 O ATOM 0 H GLU A 79 15.092 8.110 -2.862 1.00 0.00 H new ATOM 0 HA GLU A 79 13.984 6.806 -0.524 1.00 0.00 H new ATOM 0 HB2 GLU A 79 14.556 9.690 -1.266 1.00 0.00 H new ATOM 0 HB3 GLU A 79 13.785 9.230 0.239 1.00 0.00 H new ATOM 0 HG2 GLU A 79 16.142 9.407 0.713 1.00 0.00 H new ATOM 0 HG3 GLU A 79 15.770 7.695 0.702 1.00 0.00 H new ATOM 1232 N LEU A 80 11.594 7.785 -0.472 1.00 0.00 N ATOM 1233 CA LEU A 80 10.158 7.951 -0.616 1.00 0.00 C ATOM 1234 C LEU A 80 9.741 9.296 -0.015 1.00 0.00 C ATOM 1235 O LEU A 80 10.591 10.107 0.349 1.00 0.00 O ATOM 1236 CB LEU A 80 9.417 6.754 -0.017 1.00 0.00 C ATOM 1237 CG LEU A 80 9.608 5.418 -0.738 1.00 0.00 C ATOM 1238 CD1 LEU A 80 10.128 4.346 0.223 1.00 0.00 C ATOM 1239 CD2 LEU A 80 8.320 4.984 -1.439 1.00 0.00 C ATOM 0 H LEU A 80 11.912 7.634 0.485 1.00 0.00 H new ATOM 0 HA LEU A 80 9.881 7.973 -1.670 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.737 6.635 1.018 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.352 6.984 0.003 1.00 0.00 H new ATOM 0 HG LEU A 80 10.365 5.552 -1.511 1.00 0.00 H new ATOM 0 HD11 LEU A 80 10.255 3.406 -0.314 1.00 0.00 H new ATOM 0 HD12 LEU A 80 11.087 4.661 0.635 1.00 0.00 H new ATOM 0 HD13 LEU A 80 9.413 4.206 1.034 1.00 0.00 H new ATOM 0 HD21 LEU A 80 8.483 4.032 -1.944 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.525 4.872 -0.702 1.00 0.00 H new ATOM 0 HD23 LEU A 80 8.033 5.738 -2.172 1.00 0.00 H new ATOM 1251 N SER A 81 8.433 9.489 0.070 1.00 0.00 N ATOM 1252 CA SER A 81 7.894 10.721 0.621 1.00 0.00 C ATOM 1253 C SER A 81 6.536 10.452 1.273 1.00 0.00 C ATOM 1254 O SER A 81 5.700 9.748 0.708 1.00 0.00 O ATOM 1255 CB SER A 81 7.759 11.795 -0.460 1.00 0.00 C ATOM 1256 OG SER A 81 7.149 12.982 0.039 1.00 0.00 O ATOM 0 H SER A 81 7.731 8.814 -0.233 1.00 0.00 H new ATOM 0 HA SER A 81 8.587 11.089 1.377 1.00 0.00 H new ATOM 0 HB2 SER A 81 8.745 12.034 -0.858 1.00 0.00 H new ATOM 0 HB3 SER A 81 7.167 11.404 -1.288 1.00 0.00 H new ATOM 0 HG SER A 81 7.083 13.643 -0.681 1.00 0.00 H new ATOM 1262 N ARG A 82 6.358 11.026 2.454 1.00 0.00 N ATOM 1263 CA ARG A 82 5.117 10.858 3.189 1.00 0.00 C ATOM 1264 C ARG A 82 3.992 11.652 2.522 1.00 0.00 C ATOM 1265 O ARG A 82 3.909 12.869 2.680 1.00 0.00 O ATOM 1266 CB ARG A 82 5.268 11.321 4.639 1.00 0.00 C ATOM 1267 CG ARG A 82 3.948 11.179 5.401 1.00 0.00 C ATOM 1268 CD ARG A 82 4.010 11.907 6.745 1.00 0.00 C ATOM 1269 NE ARG A 82 2.757 12.662 6.970 1.00 0.00 N ATOM 1270 CZ ARG A 82 2.407 13.757 6.281 1.00 0.00 C ATOM 1271 NH1 ARG A 82 3.212 14.232 5.321 1.00 0.00 N ATOM 1272 NH2 ARG A 82 1.251 14.378 6.553 1.00 0.00 N ATOM 0 H ARG A 82 7.054 11.608 2.920 1.00 0.00 H new ATOM 0 HA ARG A 82 4.870 9.796 3.182 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.042 10.734 5.133 1.00 0.00 H new ATOM 0 HB3 ARG A 82 5.594 12.361 4.660 1.00 0.00 H new ATOM 0 HG2 ARG A 82 3.133 11.584 4.801 1.00 0.00 H new ATOM 0 HG3 ARG A 82 3.730 10.124 5.565 1.00 0.00 H new ATOM 0 HD2 ARG A 82 4.161 11.188 7.551 1.00 0.00 H new ATOM 0 HD3 ARG A 82 4.862 12.587 6.761 1.00 0.00 H new ATOM 0 HE ARG A 82 2.121 12.328 7.694 1.00 0.00 H new ATOM 0 HH11 ARG A 82 4.092 13.760 5.114 1.00 0.00 H new ATOM 0 HH12 ARG A 82 2.945 15.065 4.797 1.00 0.00 H new ATOM 0 HH21 ARG A 82 0.638 14.017 7.284 1.00 0.00 H new ATOM 0 HH22 ARG A 82 0.984 15.211 6.029 1.00 0.00 H new ATOM 1286 N LEU A 83 3.155 10.931 1.790 1.00 0.00 N ATOM 1287 CA LEU A 83 2.040 11.554 1.098 1.00 0.00 C ATOM 1288 C LEU A 83 0.960 11.930 2.115 1.00 0.00 C ATOM 1289 O LEU A 83 0.588 13.097 2.226 1.00 0.00 O ATOM 1290 CB LEU A 83 1.535 10.648 -0.028 1.00 0.00 C ATOM 1291 CG LEU A 83 0.409 11.218 -0.892 1.00 0.00 C ATOM 1292 CD1 LEU A 83 0.784 12.594 -1.446 1.00 0.00 C ATOM 1293 CD2 LEU A 83 0.022 10.239 -2.003 1.00 0.00 C ATOM 0 H LEU A 83 3.227 9.922 1.661 1.00 0.00 H new ATOM 0 HA LEU A 83 2.359 12.477 0.615 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.376 10.404 -0.677 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.191 9.712 0.412 1.00 0.00 H new ATOM 0 HG LEU A 83 -0.469 11.354 -0.261 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.034 12.976 -2.056 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.971 13.280 -0.620 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.683 12.508 -2.057 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.781 10.668 -2.603 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.887 10.048 -2.638 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.317 9.302 -1.561 1.00 0.00 H new ATOM 1305 N ALA A 84 0.489 10.920 2.831 1.00 0.00 N ATOM 1306 CA ALA A 84 -0.540 11.130 3.835 1.00 0.00 C ATOM 1307 C ALA A 84 -0.353 10.122 4.970 1.00 0.00 C ATOM 1308 O ALA A 84 0.609 9.355 4.972 1.00 0.00 O ATOM 1309 CB ALA A 84 -1.920 11.024 3.182 1.00 0.00 C ATOM 0 H ALA A 84 0.801 9.954 2.736 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.459 12.128 4.265 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.692 11.182 3.935 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.013 11.781 2.403 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.039 10.034 2.742 1.00 0.00 H new ATOM 1315 N GLY A 85 -1.288 10.155 5.908 1.00 0.00 N ATOM 1316 CA GLY A 85 -1.238 9.254 7.047 1.00 0.00 C ATOM 1317 C GLY A 85 -0.346 9.818 8.155 1.00 0.00 C ATOM 1318 O GLY A 85 -0.218 11.034 8.294 1.00 0.00 O ATOM 0 H GLY A 85 -2.085 10.792 5.903 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.245 9.093 7.432 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.859 8.282 6.730 1.00 0.00 H new ATOM 1322 N TYR A 86 0.246 8.909 8.915 1.00 0.00 N ATOM 1323 CA TYR A 86 1.122 9.301 10.006 1.00 0.00 C ATOM 1324 C TYR A 86 2.359 8.403 10.067 1.00 0.00 C ATOM 1325 O TYR A 86 2.243 7.193 10.256 1.00 0.00 O ATOM 1326 CB TYR A 86 0.307 9.115 11.288 1.00 0.00 C ATOM 1327 CG TYR A 86 -0.778 10.173 11.495 1.00 0.00 C ATOM 1328 CD1 TYR A 86 -0.426 11.471 11.805 1.00 0.00 C ATOM 1329 CD2 TYR A 86 -2.109 9.829 11.372 1.00 0.00 C ATOM 1330 CE1 TYR A 86 -1.448 12.467 12.000 1.00 0.00 C ATOM 1331 CE2 TYR A 86 -3.131 10.825 11.567 1.00 0.00 C ATOM 1332 CZ TYR A 86 -2.750 12.095 11.871 1.00 0.00 C ATOM 1333 OH TYR A 86 -3.715 13.036 12.055 1.00 0.00 O ATOM 0 H TYR A 86 0.136 7.902 8.797 1.00 0.00 H new ATOM 0 HA TYR A 86 1.465 10.327 9.873 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -0.159 8.130 11.270 1.00 0.00 H new ATOM 0 HB3 TYR A 86 0.984 9.132 12.142 1.00 0.00 H new ATOM 0 HD1 TYR A 86 0.616 11.740 11.901 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -2.384 8.813 11.130 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -1.186 13.486 12.243 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -4.176 10.569 11.474 1.00 0.00 H new ATOM 0 HH TYR A 86 -4.597 12.628 11.931 1.00 0.00 H new ATOM 1343 N GLY A 87 3.514 9.029 9.902 1.00 0.00 N ATOM 1344 CA GLY A 87 4.772 8.302 9.936 1.00 0.00 C ATOM 1345 C GLY A 87 5.957 9.245 9.720 1.00 0.00 C ATOM 1346 O GLY A 87 5.855 10.444 9.973 1.00 0.00 O ATOM 0 H GLY A 87 3.606 10.033 9.744 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.877 7.794 10.895 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.771 7.531 9.166 1.00 0.00 H new ATOM 1350 N PRO A 88 7.083 8.651 9.241 1.00 0.00 N ATOM 1351 CA PRO A 88 8.287 9.425 8.988 1.00 0.00 C ATOM 1352 C PRO A 88 8.144 10.260 7.714 1.00 0.00 C ATOM 1353 O PRO A 88 7.793 9.734 6.659 1.00 0.00 O ATOM 1354 CB PRO A 88 9.404 8.398 8.903 1.00 0.00 C ATOM 1355 CG PRO A 88 8.724 7.063 8.648 1.00 0.00 C ATOM 1356 CD PRO A 88 7.241 7.234 8.930 1.00 0.00 C ATOM 0 HA PRO A 88 8.492 10.153 9.773 1.00 0.00 H new ATOM 0 HB2 PRO A 88 10.099 8.642 8.099 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.982 8.372 9.827 1.00 0.00 H new ATOM 0 HG2 PRO A 88 8.882 6.745 7.618 1.00 0.00 H new ATOM 0 HG3 PRO A 88 9.148 6.290 9.289 1.00 0.00 H new ATOM 0 HD2 PRO A 88 6.639 6.948 8.068 1.00 0.00 H new ATOM 0 HD3 PRO A 88 6.922 6.608 9.763 1.00 0.00 H new ATOM 1364 N ARG A 89 8.423 11.548 7.854 1.00 0.00 N ATOM 1365 CA ARG A 89 8.330 12.461 6.728 1.00 0.00 C ATOM 1366 C ARG A 89 8.806 11.773 5.446 1.00 0.00 C ATOM 1367 O ARG A 89 8.117 11.804 4.428 1.00 0.00 O ATOM 1368 CB ARG A 89 9.170 13.717 6.966 1.00 0.00 C ATOM 1369 CG ARG A 89 9.095 14.663 5.765 1.00 0.00 C ATOM 1370 CD ARG A 89 8.662 16.065 6.198 1.00 0.00 C ATOM 1371 NE ARG A 89 9.161 17.069 5.233 1.00 0.00 N ATOM 1372 CZ ARG A 89 10.458 17.348 5.041 1.00 0.00 C ATOM 1373 NH1 ARG A 89 11.394 16.700 5.747 1.00 0.00 N ATOM 1374 NH2 ARG A 89 10.818 18.275 4.143 1.00 0.00 N ATOM 0 H ARG A 89 8.714 11.981 8.731 1.00 0.00 H new ATOM 0 HA ARG A 89 7.285 12.752 6.622 1.00 0.00 H new ATOM 0 HB2 ARG A 89 8.817 14.231 7.860 1.00 0.00 H new ATOM 0 HB3 ARG A 89 10.207 13.436 7.148 1.00 0.00 H new ATOM 0 HG2 ARG A 89 10.068 14.714 5.276 1.00 0.00 H new ATOM 0 HG3 ARG A 89 8.390 14.271 5.032 1.00 0.00 H new ATOM 0 HD2 ARG A 89 7.575 16.116 6.259 1.00 0.00 H new ATOM 0 HD3 ARG A 89 9.048 16.282 7.194 1.00 0.00 H new ATOM 0 HE ARG A 89 8.475 17.581 4.679 1.00 0.00 H new ATOM 0 HH11 ARG A 89 11.120 15.994 6.431 1.00 0.00 H new ATOM 0 HH12 ARG A 89 12.381 16.912 5.601 1.00 0.00 H new ATOM 0 HH21 ARG A 89 10.105 18.768 3.606 1.00 0.00 H new ATOM 0 HH22 ARG A 89 11.805 18.487 3.997 1.00 0.00 H new ATOM 1388 N THR A 90 9.981 11.168 5.539 1.00 0.00 N ATOM 1389 CA THR A 90 10.557 10.473 4.400 1.00 0.00 C ATOM 1390 C THR A 90 10.949 9.046 4.788 1.00 0.00 C ATOM 1391 O THR A 90 10.961 8.701 5.968 1.00 0.00 O ATOM 1392 CB THR A 90 11.731 11.307 3.882 1.00 0.00 C ATOM 1393 OG1 THR A 90 11.114 12.336 3.113 1.00 0.00 O ATOM 1394 CG2 THR A 90 12.587 10.546 2.867 1.00 0.00 C ATOM 0 H THR A 90 10.550 11.145 6.385 1.00 0.00 H new ATOM 0 HA THR A 90 9.832 10.369 3.592 1.00 0.00 H new ATOM 0 HB THR A 90 12.353 11.618 4.721 1.00 0.00 H new ATOM 0 HG1 THR A 90 11.804 12.924 2.741 1.00 0.00 H new ATOM 0 HG21 THR A 90 13.406 11.183 2.531 1.00 0.00 H new ATOM 0 HG22 THR A 90 12.993 9.649 3.334 1.00 0.00 H new ATOM 0 HG23 THR A 90 11.973 10.264 2.012 1.00 0.00 H new ATOM 1402 N VAL A 91 11.261 8.256 3.771 1.00 0.00 N ATOM 1403 CA VAL A 91 11.653 6.874 3.991 1.00 0.00 C ATOM 1404 C VAL A 91 12.733 6.487 2.978 1.00 0.00 C ATOM 1405 O VAL A 91 12.531 6.615 1.772 1.00 0.00 O ATOM 1406 CB VAL A 91 10.424 5.965 3.930 1.00 0.00 C ATOM 1407 CG1 VAL A 91 10.831 4.491 3.934 1.00 0.00 C ATOM 1408 CG2 VAL A 91 9.459 6.271 5.078 1.00 0.00 C ATOM 0 H VAL A 91 11.250 8.546 2.793 1.00 0.00 H new ATOM 0 HA VAL A 91 12.081 6.753 4.986 1.00 0.00 H new ATOM 0 HB VAL A 91 9.905 6.166 2.993 1.00 0.00 H new ATOM 0 HG11 VAL A 91 9.938 3.867 3.890 1.00 0.00 H new ATOM 0 HG12 VAL A 91 11.461 4.285 3.068 1.00 0.00 H new ATOM 0 HG13 VAL A 91 11.384 4.269 4.846 1.00 0.00 H new ATOM 0 HG21 VAL A 91 8.594 5.611 5.012 1.00 0.00 H new ATOM 0 HG22 VAL A 91 9.965 6.112 6.030 1.00 0.00 H new ATOM 0 HG23 VAL A 91 9.130 7.308 5.010 1.00 0.00 H new ATOM 1418 N THR A 92 13.856 6.023 3.507 1.00 0.00 N ATOM 1419 CA THR A 92 14.967 5.617 2.664 1.00 0.00 C ATOM 1420 C THR A 92 14.886 4.120 2.358 1.00 0.00 C ATOM 1421 O THR A 92 14.184 3.379 3.046 1.00 0.00 O ATOM 1422 CB THR A 92 16.265 6.024 3.364 1.00 0.00 C ATOM 1423 OG1 THR A 92 16.284 5.232 4.549 1.00 0.00 O ATOM 1424 CG2 THR A 92 16.226 7.464 3.879 1.00 0.00 C ATOM 0 H THR A 92 14.020 5.919 4.508 1.00 0.00 H new ATOM 0 HA THR A 92 14.932 6.117 1.696 1.00 0.00 H new ATOM 0 HB THR A 92 17.101 5.908 2.674 1.00 0.00 H new ATOM 0 HG1 THR A 92 17.094 5.431 5.063 1.00 0.00 H new ATOM 0 HG21 THR A 92 17.171 7.702 4.367 1.00 0.00 H new ATOM 0 HG22 THR A 92 16.068 8.145 3.043 1.00 0.00 H new ATOM 0 HG23 THR A 92 15.411 7.573 4.594 1.00 0.00 H new ATOM 1432 N PRO A 93 15.632 3.708 1.298 1.00 0.00 N ATOM 1433 CA PRO A 93 15.651 2.313 0.893 1.00 0.00 C ATOM 1434 C PRO A 93 16.493 1.473 1.856 1.00 0.00 C ATOM 1435 O PRO A 93 16.521 0.248 1.756 1.00 0.00 O ATOM 1436 CB PRO A 93 16.202 2.322 -0.524 1.00 0.00 C ATOM 1437 CG PRO A 93 16.903 3.661 -0.689 1.00 0.00 C ATOM 1438 CD PRO A 93 16.475 4.557 0.461 1.00 0.00 C ATOM 0 HA PRO A 93 14.662 1.854 0.919 1.00 0.00 H new ATOM 0 HB2 PRO A 93 16.896 1.496 -0.679 1.00 0.00 H new ATOM 0 HB3 PRO A 93 15.402 2.207 -1.255 1.00 0.00 H new ATOM 0 HG2 PRO A 93 17.985 3.528 -0.687 1.00 0.00 H new ATOM 0 HG3 PRO A 93 16.639 4.114 -1.645 1.00 0.00 H new ATOM 0 HD2 PRO A 93 17.337 4.929 1.015 1.00 0.00 H new ATOM 0 HD3 PRO A 93 15.927 5.428 0.102 1.00 0.00 H new ATOM 1446 N ALA A 94 17.159 2.167 2.768 1.00 0.00 N ATOM 1447 CA ALA A 94 17.999 1.500 3.749 1.00 0.00 C ATOM 1448 C ALA A 94 17.152 1.118 4.964 1.00 0.00 C ATOM 1449 O ALA A 94 17.500 0.199 5.704 1.00 0.00 O ATOM 1450 CB ALA A 94 19.172 2.410 4.119 1.00 0.00 C ATOM 0 H ALA A 94 17.134 3.184 2.848 1.00 0.00 H new ATOM 0 HA ALA A 94 18.416 0.581 3.336 1.00 0.00 H new ATOM 0 HB1 ALA A 94 19.802 1.910 4.855 1.00 0.00 H new ATOM 0 HB2 ALA A 94 19.759 2.628 3.227 1.00 0.00 H new ATOM 0 HB3 ALA A 94 18.792 3.341 4.540 1.00 0.00 H new ATOM 1456 N MET A 95 16.055 1.842 5.133 1.00 0.00 N ATOM 1457 CA MET A 95 15.156 1.591 6.246 1.00 0.00 C ATOM 1458 C MET A 95 14.090 0.560 5.867 1.00 0.00 C ATOM 1459 O MET A 95 13.399 0.029 6.735 1.00 0.00 O ATOM 1460 CB MET A 95 14.477 2.898 6.660 1.00 0.00 C ATOM 1461 CG MET A 95 15.416 3.758 7.509 1.00 0.00 C ATOM 1462 SD MET A 95 14.476 4.675 8.718 1.00 0.00 S ATOM 1463 CE MET A 95 13.126 5.241 7.697 1.00 0.00 C ATOM 0 H MET A 95 15.769 2.603 4.517 1.00 0.00 H new ATOM 0 HA MET A 95 15.739 1.195 7.078 1.00 0.00 H new ATOM 0 HB2 MET A 95 14.174 3.452 5.772 1.00 0.00 H new ATOM 0 HB3 MET A 95 13.570 2.678 7.223 1.00 0.00 H new ATOM 0 HG2 MET A 95 16.149 3.125 8.009 1.00 0.00 H new ATOM 0 HG3 MET A 95 15.971 4.445 6.870 1.00 0.00 H new ATOM 0 HE1 MET A 95 12.690 6.139 8.135 1.00 0.00 H new ATOM 0 HE2 MET A 95 13.496 5.468 6.697 1.00 0.00 H new ATOM 0 HE3 MET A 95 12.366 4.462 7.634 1.00 0.00 H new ATOM 1473 N VAL A 96 13.992 0.307 4.570 1.00 0.00 N ATOM 1474 CA VAL A 96 13.022 -0.651 4.066 1.00 0.00 C ATOM 1475 C VAL A 96 13.459 -2.065 4.456 1.00 0.00 C ATOM 1476 O VAL A 96 14.572 -2.483 4.143 1.00 0.00 O ATOM 1477 CB VAL A 96 12.848 -0.474 2.556 1.00 0.00 C ATOM 1478 CG1 VAL A 96 14.125 -0.860 1.808 1.00 0.00 C ATOM 1479 CG2 VAL A 96 11.649 -1.275 2.045 1.00 0.00 C ATOM 0 H VAL A 96 14.568 0.748 3.853 1.00 0.00 H new ATOM 0 HA VAL A 96 12.044 -0.477 4.515 1.00 0.00 H new ATOM 0 HB VAL A 96 12.653 0.581 2.362 1.00 0.00 H new ATOM 0 HG11 VAL A 96 13.974 -0.725 0.737 1.00 0.00 H new ATOM 0 HG12 VAL A 96 14.947 -0.227 2.141 1.00 0.00 H new ATOM 0 HG13 VAL A 96 14.365 -1.904 2.012 1.00 0.00 H new ATOM 0 HG21 VAL A 96 11.548 -1.132 0.969 1.00 0.00 H new ATOM 0 HG22 VAL A 96 11.801 -2.333 2.257 1.00 0.00 H new ATOM 0 HG23 VAL A 96 10.743 -0.931 2.544 1.00 0.00 H new ATOM 1489 N GLU A 97 12.558 -2.762 5.133 1.00 0.00 N ATOM 1490 CA GLU A 97 12.837 -4.120 5.568 1.00 0.00 C ATOM 1491 C GLU A 97 12.570 -5.107 4.430 1.00 0.00 C ATOM 1492 O GLU A 97 13.472 -5.825 4.002 1.00 0.00 O ATOM 1493 CB GLU A 97 12.015 -4.477 6.808 1.00 0.00 C ATOM 1494 CG GLU A 97 12.536 -5.759 7.461 1.00 0.00 C ATOM 1495 CD GLU A 97 11.588 -6.239 8.561 1.00 0.00 C ATOM 1496 OE1 GLU A 97 10.387 -6.393 8.249 1.00 0.00 O ATOM 1497 OE2 GLU A 97 12.085 -6.441 9.690 1.00 0.00 O ATOM 0 H GLU A 97 11.635 -2.412 5.391 1.00 0.00 H new ATOM 0 HA GLU A 97 13.891 -4.185 5.839 1.00 0.00 H new ATOM 0 HB2 GLU A 97 12.057 -3.657 7.525 1.00 0.00 H new ATOM 0 HB3 GLU A 97 10.969 -4.605 6.531 1.00 0.00 H new ATOM 0 HG2 GLU A 97 12.646 -6.537 6.706 1.00 0.00 H new ATOM 0 HG3 GLU A 97 13.526 -5.581 7.881 1.00 0.00 H new ATOM 1504 N GLY A 98 11.326 -5.112 3.972 1.00 0.00 N ATOM 1505 CA GLY A 98 10.930 -5.999 2.893 1.00 0.00 C ATOM 1506 C GLY A 98 10.029 -5.274 1.890 1.00 0.00 C ATOM 1507 O GLY A 98 9.200 -4.451 2.277 1.00 0.00 O ATOM 0 H GLY A 98 10.580 -4.515 4.329 1.00 0.00 H new ATOM 0 HA2 GLY A 98 11.817 -6.377 2.384 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.405 -6.862 3.301 1.00 0.00 H new ATOM 1511 N ILE A 99 10.221 -5.607 0.622 1.00 0.00 N ATOM 1512 CA ILE A 99 9.437 -4.998 -0.438 1.00 0.00 C ATOM 1513 C ILE A 99 8.547 -6.062 -1.083 1.00 0.00 C ATOM 1514 O ILE A 99 8.892 -7.242 -1.094 1.00 0.00 O ATOM 1515 CB ILE A 99 10.348 -4.274 -1.431 1.00 0.00 C ATOM 1516 CG1 ILE A 99 11.682 -5.008 -1.587 1.00 0.00 C ATOM 1517 CG2 ILE A 99 10.543 -2.810 -1.031 1.00 0.00 C ATOM 1518 CD1 ILE A 99 12.487 -4.441 -2.758 1.00 0.00 C ATOM 0 H ILE A 99 10.908 -6.291 0.305 1.00 0.00 H new ATOM 0 HA ILE A 99 8.776 -4.232 -0.031 1.00 0.00 H new ATOM 0 HB ILE A 99 9.861 -4.279 -2.406 1.00 0.00 H new ATOM 0 HG12 ILE A 99 12.260 -4.919 -0.667 1.00 0.00 H new ATOM 0 HG13 ILE A 99 11.500 -6.071 -1.747 1.00 0.00 H new ATOM 0 HG21 ILE A 99 11.195 -2.319 -1.754 1.00 0.00 H new ATOM 0 HG22 ILE A 99 9.577 -2.306 -1.013 1.00 0.00 H new ATOM 0 HG23 ILE A 99 10.997 -2.761 -0.041 1.00 0.00 H new ATOM 0 HD11 ILE A 99 13.430 -4.980 -2.846 1.00 0.00 H new ATOM 0 HD12 ILE A 99 11.917 -4.554 -3.680 1.00 0.00 H new ATOM 0 HD13 ILE A 99 12.689 -3.384 -2.583 1.00 0.00 H new ATOM 1530 N TYR A 100 7.417 -5.606 -1.605 1.00 0.00 N ATOM 1531 CA TYR A 100 6.475 -6.504 -2.251 1.00 0.00 C ATOM 1532 C TYR A 100 5.779 -5.816 -3.427 1.00 0.00 C ATOM 1533 O TYR A 100 5.753 -4.588 -3.505 1.00 0.00 O ATOM 1534 CB TYR A 100 5.430 -6.854 -1.189 1.00 0.00 C ATOM 1535 CG TYR A 100 6.027 -7.288 0.151 1.00 0.00 C ATOM 1536 CD1 TYR A 100 6.705 -6.375 0.933 1.00 0.00 C ATOM 1537 CD2 TYR A 100 5.887 -8.593 0.578 1.00 0.00 C ATOM 1538 CE1 TYR A 100 7.266 -6.784 2.195 1.00 0.00 C ATOM 1539 CE2 TYR A 100 6.448 -9.002 1.840 1.00 0.00 C ATOM 1540 CZ TYR A 100 7.110 -8.077 2.586 1.00 0.00 C ATOM 1541 OH TYR A 100 7.640 -8.464 3.777 1.00 0.00 O ATOM 0 H TYR A 100 7.133 -4.626 -1.593 1.00 0.00 H new ATOM 0 HA TYR A 100 6.988 -7.384 -2.639 1.00 0.00 H new ATOM 0 HB2 TYR A 100 4.788 -5.988 -1.026 1.00 0.00 H new ATOM 0 HB3 TYR A 100 4.795 -7.654 -1.569 1.00 0.00 H new ATOM 0 HD1 TYR A 100 6.815 -5.354 0.599 1.00 0.00 H new ATOM 0 HD2 TYR A 100 5.357 -9.308 -0.034 1.00 0.00 H new ATOM 0 HE1 TYR A 100 7.799 -6.080 2.817 1.00 0.00 H new ATOM 0 HE2 TYR A 100 6.345 -10.020 2.186 1.00 0.00 H new ATOM 0 HH TYR A 100 7.450 -9.414 3.926 1.00 0.00 H new ATOM 1551 N LYS A 101 5.231 -6.636 -4.311 1.00 0.00 N ATOM 1552 CA LYS A 101 4.537 -6.122 -5.479 1.00 0.00 C ATOM 1553 C LYS A 101 3.035 -6.374 -5.327 1.00 0.00 C ATOM 1554 O LYS A 101 2.588 -6.876 -4.297 1.00 0.00 O ATOM 1555 CB LYS A 101 5.132 -6.711 -6.760 1.00 0.00 C ATOM 1556 CG LYS A 101 4.907 -8.223 -6.823 1.00 0.00 C ATOM 1557 CD LYS A 101 6.226 -8.965 -7.047 1.00 0.00 C ATOM 1558 CE LYS A 101 6.254 -9.632 -8.424 1.00 0.00 C ATOM 1559 NZ LYS A 101 7.599 -9.515 -9.030 1.00 0.00 N ATOM 0 H LYS A 101 5.254 -7.653 -4.242 1.00 0.00 H new ATOM 0 HA LYS A 101 4.674 -5.044 -5.558 1.00 0.00 H new ATOM 0 HB2 LYS A 101 4.677 -6.235 -7.629 1.00 0.00 H new ATOM 0 HB3 LYS A 101 6.200 -6.496 -6.802 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.446 -8.565 -5.896 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.212 -8.458 -7.629 1.00 0.00 H new ATOM 0 HD2 LYS A 101 7.059 -8.267 -6.960 1.00 0.00 H new ATOM 0 HD3 LYS A 101 6.359 -9.719 -6.271 1.00 0.00 H new ATOM 0 HE2 LYS A 101 5.981 -10.683 -8.331 1.00 0.00 H new ATOM 0 HE3 LYS A 101 5.514 -9.167 -9.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 7.600 -9.973 -9.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 7.845 -8.510 -9.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 8.298 -9.980 -8.416 1.00 0.00 H new ATOM 1573 N TYR A 102 2.299 -6.012 -6.367 1.00 0.00 N ATOM 1574 CA TYR A 102 0.857 -6.193 -6.361 1.00 0.00 C ATOM 1575 C TYR A 102 0.375 -6.794 -7.683 1.00 0.00 C ATOM 1576 O TYR A 102 0.429 -6.139 -8.723 1.00 0.00 O ATOM 1577 CB TYR A 102 0.257 -4.795 -6.202 1.00 0.00 C ATOM 1578 CG TYR A 102 -1.272 -4.771 -6.188 1.00 0.00 C ATOM 1579 CD1 TYR A 102 -1.975 -4.873 -7.371 1.00 0.00 C ATOM 1580 CD2 TYR A 102 -1.950 -4.649 -4.992 1.00 0.00 C ATOM 1581 CE1 TYR A 102 -3.415 -4.851 -7.358 1.00 0.00 C ATOM 1582 CE2 TYR A 102 -3.390 -4.627 -4.979 1.00 0.00 C ATOM 1583 CZ TYR A 102 -4.051 -4.729 -6.163 1.00 0.00 C ATOM 1584 OH TYR A 102 -5.411 -4.708 -6.150 1.00 0.00 O ATOM 0 H TYR A 102 2.673 -5.595 -7.219 1.00 0.00 H new ATOM 0 HA TYR A 102 0.558 -6.870 -5.560 1.00 0.00 H new ATOM 0 HB2 TYR A 102 0.625 -4.356 -5.275 1.00 0.00 H new ATOM 0 HB3 TYR A 102 0.612 -4.164 -7.016 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -1.445 -4.969 -8.307 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -1.401 -4.570 -4.066 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -3.977 -4.930 -8.277 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -3.933 -4.532 -4.050 1.00 0.00 H new ATOM 0 HH TYR A 102 -5.736 -5.106 -5.316 1.00 0.00 H new ATOM 1594 N ASN A 103 -0.087 -8.033 -7.600 1.00 0.00 N ATOM 1595 CA ASN A 103 -0.578 -8.730 -8.777 1.00 0.00 C ATOM 1596 C ASN A 103 -2.001 -8.259 -9.085 1.00 0.00 C ATOM 1597 O ASN A 103 -2.955 -8.692 -8.440 1.00 0.00 O ATOM 1598 CB ASN A 103 -0.620 -10.241 -8.545 1.00 0.00 C ATOM 1599 CG ASN A 103 0.483 -10.948 -9.337 1.00 0.00 C ATOM 1600 OD1 ASN A 103 1.571 -11.220 -8.623 1.00 0.00 O flip ATOM 1601 ND2 ASN A 103 0.353 -11.227 -10.517 1.00 0.00 N flip ATOM 0 H ASN A 103 -0.132 -8.573 -6.736 1.00 0.00 H new ATOM 0 HA ASN A 103 0.097 -8.512 -9.605 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -0.502 -10.453 -7.482 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -1.593 -10.631 -8.842 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -0.510 -10.989 -11.005 1.00 0.00 H new ATOM 0 HD22 ASN A 103 1.108 -11.698 -11.016 1.00 0.00 H new ATOM 1608 N SER A 104 -2.099 -7.380 -10.071 1.00 0.00 N ATOM 1609 CA SER A 104 -3.390 -6.846 -10.472 1.00 0.00 C ATOM 1610 C SER A 104 -4.111 -7.847 -11.377 1.00 0.00 C ATOM 1611 O SER A 104 -5.200 -7.566 -11.876 1.00 0.00 O ATOM 1612 CB SER A 104 -3.232 -5.503 -11.187 1.00 0.00 C ATOM 1613 OG SER A 104 -3.760 -4.425 -10.419 1.00 0.00 O ATOM 0 H SER A 104 -1.306 -7.024 -10.604 1.00 0.00 H new ATOM 0 HA SER A 104 -3.986 -6.681 -9.575 1.00 0.00 H new ATOM 0 HB2 SER A 104 -2.176 -5.322 -11.389 1.00 0.00 H new ATOM 0 HB3 SER A 104 -3.739 -5.544 -12.151 1.00 0.00 H new ATOM 0 HG SER A 104 -3.935 -3.660 -11.006 1.00 0.00 H new ATOM 1619 N ASP A 105 -3.475 -8.995 -11.561 1.00 0.00 N ATOM 1620 CA ASP A 105 -4.043 -10.039 -12.397 1.00 0.00 C ATOM 1621 C ASP A 105 -4.460 -11.220 -11.518 1.00 0.00 C ATOM 1622 O ASP A 105 -5.512 -11.818 -11.734 1.00 0.00 O ATOM 1623 CB ASP A 105 -3.020 -10.546 -13.416 1.00 0.00 C ATOM 1624 CG ASP A 105 -3.224 -10.037 -14.844 1.00 0.00 C ATOM 1625 OD1 ASP A 105 -3.622 -8.860 -14.976 1.00 0.00 O ATOM 1626 OD2 ASP A 105 -2.977 -10.837 -15.772 1.00 0.00 O ATOM 0 H ASP A 105 -2.572 -9.225 -11.146 1.00 0.00 H new ATOM 0 HA ASP A 105 -4.900 -9.620 -12.924 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -2.023 -10.257 -13.082 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -3.049 -11.636 -13.427 1.00 0.00 H new ATOM 1631 N ARG A 106 -3.612 -11.521 -10.545 1.00 0.00 N ATOM 1632 CA ARG A 106 -3.879 -12.619 -9.633 1.00 0.00 C ATOM 1633 C ARG A 106 -4.561 -12.102 -8.365 1.00 0.00 C ATOM 1634 O ARG A 106 -4.942 -12.886 -7.497 1.00 0.00 O ATOM 1635 CB ARG A 106 -2.587 -13.343 -9.249 1.00 0.00 C ATOM 1636 CG ARG A 106 -2.159 -14.320 -10.346 1.00 0.00 C ATOM 1637 CD ARG A 106 -2.248 -15.767 -9.857 1.00 0.00 C ATOM 1638 NE ARG A 106 -2.037 -16.697 -10.988 1.00 0.00 N ATOM 1639 CZ ARG A 106 -2.151 -18.029 -10.897 1.00 0.00 C ATOM 1640 NH1 ARG A 106 -2.475 -18.595 -9.726 1.00 0.00 N ATOM 1641 NH2 ARG A 106 -1.941 -18.796 -11.976 1.00 0.00 N ATOM 0 H ARG A 106 -2.739 -11.023 -10.369 1.00 0.00 H new ATOM 0 HA ARG A 106 -4.538 -13.321 -10.144 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -1.795 -12.614 -9.077 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -2.733 -13.883 -8.313 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -2.794 -14.189 -11.222 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -1.138 -14.099 -10.656 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -1.500 -15.945 -9.085 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -3.223 -15.947 -9.404 1.00 0.00 H new ATOM 0 HE ARG A 106 -1.789 -16.299 -11.894 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -2.635 -18.012 -8.905 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -2.562 -19.609 -9.656 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -1.694 -18.366 -12.867 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -2.028 -19.810 -11.906 1.00 0.00 H new ATOM 1655 N LYS A 107 -4.696 -10.786 -8.298 1.00 0.00 N ATOM 1656 CA LYS A 107 -5.326 -10.155 -7.151 1.00 0.00 C ATOM 1657 C LYS A 107 -4.677 -10.676 -5.867 1.00 0.00 C ATOM 1658 O LYS A 107 -5.372 -11.039 -4.919 1.00 0.00 O ATOM 1659 CB LYS A 107 -6.842 -10.352 -7.197 1.00 0.00 C ATOM 1660 CG LYS A 107 -7.439 -9.722 -8.457 1.00 0.00 C ATOM 1661 CD LYS A 107 -8.875 -10.201 -8.683 1.00 0.00 C ATOM 1662 CE LYS A 107 -9.408 -9.719 -10.034 1.00 0.00 C ATOM 1663 NZ LYS A 107 -9.760 -8.283 -9.970 1.00 0.00 N ATOM 0 H LYS A 107 -4.380 -10.139 -9.020 1.00 0.00 H new ATOM 0 HA LYS A 107 -5.167 -9.077 -7.174 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -7.075 -11.417 -7.173 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -7.297 -9.906 -6.313 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -7.424 -8.636 -8.367 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -6.826 -9.978 -9.321 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -8.910 -11.290 -8.642 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -9.516 -9.831 -7.882 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -8.657 -9.881 -10.807 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -10.285 -10.302 -10.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -10.120 -7.972 -10.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -10.493 -8.137 -9.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -8.915 -7.729 -9.724 1.00 0.00 H new ATOM 1677 N ARG A 108 -3.352 -10.698 -5.878 1.00 0.00 N ATOM 1678 CA ARG A 108 -2.602 -11.169 -4.727 1.00 0.00 C ATOM 1679 C ARG A 108 -1.331 -10.336 -4.545 1.00 0.00 C ATOM 1680 O ARG A 108 -0.990 -9.522 -5.401 1.00 0.00 O ATOM 1681 CB ARG A 108 -2.220 -12.642 -4.883 1.00 0.00 C ATOM 1682 CG ARG A 108 -1.368 -12.858 -6.135 1.00 0.00 C ATOM 1683 CD ARG A 108 0.117 -12.655 -5.830 1.00 0.00 C ATOM 1684 NE ARG A 108 0.942 -13.387 -6.817 1.00 0.00 N ATOM 1685 CZ ARG A 108 1.089 -14.719 -6.832 1.00 0.00 C ATOM 1686 NH1 ARG A 108 0.469 -15.472 -5.914 1.00 0.00 N ATOM 1687 NH2 ARG A 108 1.857 -15.297 -7.766 1.00 0.00 N ATOM 0 H ARG A 108 -2.779 -10.397 -6.666 1.00 0.00 H new ATOM 0 HA ARG A 108 -3.240 -11.062 -3.850 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -1.670 -12.974 -4.003 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -3.122 -13.251 -4.943 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -1.529 -13.865 -6.520 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -1.681 -12.165 -6.916 1.00 0.00 H new ATOM 0 HD2 ARG A 108 0.360 -11.593 -5.857 1.00 0.00 H new ATOM 0 HD3 ARG A 108 0.341 -13.008 -4.823 1.00 0.00 H new ATOM 0 HE ARG A 108 1.429 -12.844 -7.530 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -0.115 -15.032 -5.203 1.00 0.00 H new ATOM 0 HH12 ARG A 108 0.581 -16.486 -5.926 1.00 0.00 H new ATOM 0 HH21 ARG A 108 2.329 -14.723 -8.465 1.00 0.00 H new ATOM 0 HH22 ARG A 108 1.969 -16.311 -7.778 1.00 0.00 H new ATOM 1701 N PHE A 109 -0.664 -10.570 -3.424 1.00 0.00 N ATOM 1702 CA PHE A 109 0.562 -9.852 -3.119 1.00 0.00 C ATOM 1703 C PHE A 109 1.776 -10.780 -3.199 1.00 0.00 C ATOM 1704 O PHE A 109 1.719 -11.922 -2.746 1.00 0.00 O ATOM 1705 CB PHE A 109 0.429 -9.329 -1.688 1.00 0.00 C ATOM 1706 CG PHE A 109 -0.277 -7.975 -1.583 1.00 0.00 C ATOM 1707 CD1 PHE A 109 0.332 -6.852 -2.049 1.00 0.00 C ATOM 1708 CD2 PHE A 109 -1.514 -7.896 -1.023 1.00 0.00 C ATOM 1709 CE1 PHE A 109 -0.324 -5.597 -1.952 1.00 0.00 C ATOM 1710 CE2 PHE A 109 -2.170 -6.640 -0.926 1.00 0.00 C ATOM 1711 CZ PHE A 109 -1.561 -5.517 -1.392 1.00 0.00 C ATOM 0 H PHE A 109 -0.949 -11.247 -2.716 1.00 0.00 H new ATOM 0 HA PHE A 109 0.708 -9.044 -3.836 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -0.120 -10.060 -1.094 1.00 0.00 H new ATOM 0 HB3 PHE A 109 1.423 -9.244 -1.249 1.00 0.00 H new ATOM 0 HD1 PHE A 109 1.315 -6.915 -2.493 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -1.997 -8.788 -0.652 1.00 0.00 H new ATOM 0 HE1 PHE A 109 0.159 -4.705 -2.323 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -3.153 -6.577 -0.482 1.00 0.00 H new ATOM 0 HZ PHE A 109 -2.059 -4.562 -1.317 1.00 0.00 H new ATOM 1721 N THR A 110 2.845 -10.255 -3.780 1.00 0.00 N ATOM 1722 CA THR A 110 4.070 -11.023 -3.926 1.00 0.00 C ATOM 1723 C THR A 110 5.265 -10.223 -3.403 1.00 0.00 C ATOM 1724 O THR A 110 5.204 -8.998 -3.309 1.00 0.00 O ATOM 1725 CB THR A 110 4.204 -11.425 -5.396 1.00 0.00 C ATOM 1726 OG1 THR A 110 2.963 -12.056 -5.698 1.00 0.00 O ATOM 1727 CG2 THR A 110 5.244 -12.526 -5.609 1.00 0.00 C ATOM 0 H THR A 110 2.888 -9.307 -4.155 1.00 0.00 H new ATOM 0 HA THR A 110 4.040 -11.933 -3.327 1.00 0.00 H new ATOM 0 HB THR A 110 4.475 -10.551 -5.988 1.00 0.00 H new ATOM 0 HG1 THR A 110 2.912 -12.917 -5.233 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.300 -12.774 -6.669 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.218 -12.177 -5.266 1.00 0.00 H new ATOM 0 HG23 THR A 110 4.956 -13.412 -5.044 1.00 0.00 H new ATOM 1735 N GLN A 111 6.324 -10.949 -3.076 1.00 0.00 N ATOM 1736 CA GLN A 111 7.532 -10.323 -2.565 1.00 0.00 C ATOM 1737 C GLN A 111 8.517 -10.061 -3.706 1.00 0.00 C ATOM 1738 O GLN A 111 8.430 -10.686 -4.762 1.00 0.00 O ATOM 1739 CB GLN A 111 8.173 -11.180 -1.472 1.00 0.00 C ATOM 1740 CG GLN A 111 8.744 -10.306 -0.354 1.00 0.00 C ATOM 1741 CD GLN A 111 9.574 -11.140 0.625 1.00 0.00 C ATOM 1742 OE1 GLN A 111 9.246 -12.269 0.951 1.00 0.00 O ATOM 1743 NE2 GLN A 111 10.663 -10.522 1.074 1.00 0.00 N ATOM 0 H GLN A 111 6.371 -11.965 -3.155 1.00 0.00 H new ATOM 0 HA GLN A 111 7.262 -9.366 -2.118 1.00 0.00 H new ATOM 0 HB2 GLN A 111 7.432 -11.865 -1.060 1.00 0.00 H new ATOM 0 HB3 GLN A 111 8.967 -11.791 -1.902 1.00 0.00 H new ATOM 0 HG2 GLN A 111 9.364 -9.519 -0.783 1.00 0.00 H new ATOM 0 HG3 GLN A 111 7.930 -9.815 0.180 1.00 0.00 H new ATOM 0 HE21 GLN A 111 10.879 -9.576 0.760 1.00 0.00 H new ATOM 0 HE22 GLN A 111 11.283 -10.994 1.732 1.00 0.00 H new ATOM 1752 N ILE A 112 9.431 -9.136 -3.454 1.00 0.00 N ATOM 1753 CA ILE A 112 10.432 -8.783 -4.446 1.00 0.00 C ATOM 1754 C ILE A 112 11.755 -9.469 -4.097 1.00 0.00 C ATOM 1755 O ILE A 112 12.113 -9.574 -2.925 1.00 0.00 O ATOM 1756 CB ILE A 112 10.544 -7.263 -4.578 1.00 0.00 C ATOM 1757 CG1 ILE A 112 9.215 -6.584 -4.239 1.00 0.00 C ATOM 1758 CG2 ILE A 112 11.051 -6.868 -5.967 1.00 0.00 C ATOM 1759 CD1 ILE A 112 8.154 -6.898 -5.296 1.00 0.00 C ATOM 0 H ILE A 112 9.499 -8.620 -2.577 1.00 0.00 H new ATOM 0 HA ILE A 112 10.135 -9.144 -5.431 1.00 0.00 H new ATOM 0 HB ILE A 112 11.280 -6.911 -3.855 1.00 0.00 H new ATOM 0 HG12 ILE A 112 8.870 -6.920 -3.261 1.00 0.00 H new ATOM 0 HG13 ILE A 112 9.360 -5.506 -4.173 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.121 -5.782 -6.034 1.00 0.00 H new ATOM 0 HG22 ILE A 112 12.035 -7.306 -6.133 1.00 0.00 H new ATOM 0 HG23 ILE A 112 10.358 -7.234 -6.725 1.00 0.00 H new ATOM 0 HD11 ILE A 112 7.219 -6.404 -5.031 1.00 0.00 H new ATOM 0 HD12 ILE A 112 8.492 -6.539 -6.268 1.00 0.00 H new ATOM 0 HD13 ILE A 112 7.994 -7.975 -5.342 1.00 0.00 H new ATOM 1771 N PRO A 113 12.462 -9.929 -5.163 1.00 0.00 N ATOM 1772 CA PRO A 113 13.737 -10.602 -4.981 1.00 0.00 C ATOM 1773 C PRO A 113 14.841 -9.600 -4.636 1.00 0.00 C ATOM 1774 O PRO A 113 15.971 -9.991 -4.346 1.00 0.00 O ATOM 1775 CB PRO A 113 13.987 -11.334 -6.289 1.00 0.00 C ATOM 1776 CG PRO A 113 13.080 -10.674 -7.315 1.00 0.00 C ATOM 1777 CD PRO A 113 12.069 -9.822 -6.565 1.00 0.00 C ATOM 0 HA PRO A 113 13.728 -11.301 -4.145 1.00 0.00 H new ATOM 0 HB2 PRO A 113 15.033 -11.258 -6.586 1.00 0.00 H new ATOM 0 HB3 PRO A 113 13.760 -12.396 -6.192 1.00 0.00 H new ATOM 0 HG2 PRO A 113 13.663 -10.059 -8.000 1.00 0.00 H new ATOM 0 HG3 PRO A 113 12.572 -11.428 -7.916 1.00 0.00 H new ATOM 0 HD2 PRO A 113 12.094 -8.787 -6.905 1.00 0.00 H new ATOM 0 HD3 PRO A 113 11.053 -10.185 -6.720 1.00 0.00 H new ATOM 1785 N ALA A 114 14.476 -8.327 -4.681 1.00 0.00 N ATOM 1786 CA ALA A 114 15.422 -7.267 -4.377 1.00 0.00 C ATOM 1787 C ALA A 114 15.036 -6.610 -3.050 1.00 0.00 C ATOM 1788 O ALA A 114 13.873 -6.646 -2.651 1.00 0.00 O ATOM 1789 CB ALA A 114 15.456 -6.266 -5.534 1.00 0.00 C ATOM 0 H ALA A 114 13.539 -8.006 -4.923 1.00 0.00 H new ATOM 0 HA ALA A 114 16.428 -7.671 -4.265 1.00 0.00 H new ATOM 0 HB1 ALA A 114 16.166 -5.471 -5.306 1.00 0.00 H new ATOM 0 HB2 ALA A 114 15.763 -6.776 -6.447 1.00 0.00 H new ATOM 0 HB3 ALA A 114 14.463 -5.838 -5.674 1.00 0.00 H new ATOM 1795 N LYS A 115 16.034 -6.025 -2.404 1.00 0.00 N ATOM 1796 CA LYS A 115 15.813 -5.361 -1.130 1.00 0.00 C ATOM 1797 C LYS A 115 15.809 -3.846 -1.343 1.00 0.00 C ATOM 1798 O LYS A 115 15.748 -3.081 -0.383 1.00 0.00 O ATOM 1799 CB LYS A 115 16.837 -5.834 -0.095 1.00 0.00 C ATOM 1800 CG LYS A 115 16.148 -6.540 1.074 1.00 0.00 C ATOM 1801 CD LYS A 115 16.242 -8.060 0.929 1.00 0.00 C ATOM 1802 CE LYS A 115 17.450 -8.610 1.690 1.00 0.00 C ATOM 1803 NZ LYS A 115 17.016 -9.287 2.932 1.00 0.00 N ATOM 0 H LYS A 115 16.997 -5.997 -2.739 1.00 0.00 H new ATOM 0 HA LYS A 115 14.837 -5.629 -0.725 1.00 0.00 H new ATOM 0 HB2 LYS A 115 17.549 -6.512 -0.566 1.00 0.00 H new ATOM 0 HB3 LYS A 115 17.406 -4.981 0.275 1.00 0.00 H new ATOM 0 HG2 LYS A 115 16.609 -6.231 2.012 1.00 0.00 H new ATOM 0 HG3 LYS A 115 15.101 -6.239 1.119 1.00 0.00 H new ATOM 0 HD2 LYS A 115 15.329 -8.522 1.306 1.00 0.00 H new ATOM 0 HD3 LYS A 115 16.321 -8.324 -0.126 1.00 0.00 H new ATOM 0 HE2 LYS A 115 17.997 -9.311 1.059 1.00 0.00 H new ATOM 0 HE3 LYS A 115 18.135 -7.798 1.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 17.848 -9.654 3.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 16.514 -8.609 3.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 16.380 -10.075 2.694 1.00 0.00 H new ATOM 1817 N THR A 116 15.875 -3.459 -2.609 1.00 0.00 N ATOM 1818 CA THR A 116 15.880 -2.049 -2.960 1.00 0.00 C ATOM 1819 C THR A 116 14.567 -1.666 -3.646 1.00 0.00 C ATOM 1820 O THR A 116 13.765 -2.534 -3.988 1.00 0.00 O ATOM 1821 CB THR A 116 17.116 -1.781 -3.822 1.00 0.00 C ATOM 1822 OG1 THR A 116 18.208 -1.945 -2.922 1.00 0.00 O ATOM 1823 CG2 THR A 116 17.214 -0.320 -4.265 1.00 0.00 C ATOM 0 H THR A 116 15.925 -4.097 -3.403 1.00 0.00 H new ATOM 0 HA THR A 116 15.942 -1.420 -2.072 1.00 0.00 H new ATOM 0 HB THR A 116 17.094 -2.426 -4.700 1.00 0.00 H new ATOM 0 HG1 THR A 116 19.050 -1.791 -3.398 1.00 0.00 H new ATOM 0 HG21 THR A 116 18.108 -0.183 -4.874 1.00 0.00 H new ATOM 0 HG22 THR A 116 16.333 -0.057 -4.851 1.00 0.00 H new ATOM 0 HG23 THR A 116 17.271 0.323 -3.387 1.00 0.00 H new ATOM 1831 N MET A 117 14.387 -0.366 -3.826 1.00 0.00 N ATOM 1832 CA MET A 117 13.185 0.142 -4.464 1.00 0.00 C ATOM 1833 C MET A 117 13.095 -0.329 -5.917 1.00 0.00 C ATOM 1834 O MET A 117 14.049 -0.891 -6.452 1.00 0.00 O ATOM 1835 CB MET A 117 13.193 1.672 -4.423 1.00 0.00 C ATOM 1836 CG MET A 117 12.643 2.187 -3.092 1.00 0.00 C ATOM 1837 SD MET A 117 10.943 1.681 -2.896 1.00 0.00 S ATOM 1838 CE MET A 117 11.074 0.731 -1.391 1.00 0.00 C ATOM 0 H MET A 117 15.054 0.351 -3.541 1.00 0.00 H new ATOM 0 HA MET A 117 12.319 -0.241 -3.923 1.00 0.00 H new ATOM 0 HB2 MET A 117 14.210 2.038 -4.567 1.00 0.00 H new ATOM 0 HB3 MET A 117 12.594 2.065 -5.245 1.00 0.00 H new ATOM 0 HG2 MET A 117 13.243 1.801 -2.268 1.00 0.00 H new ATOM 0 HG3 MET A 117 12.714 3.274 -3.056 1.00 0.00 H new ATOM 0 HE1 MET A 117 10.101 0.308 -1.142 1.00 0.00 H new ATOM 0 HE2 MET A 117 11.794 -0.075 -1.531 1.00 0.00 H new ATOM 0 HE3 MET A 117 11.407 1.378 -0.580 1.00 0.00 H new ATOM 1848 N SER A 118 11.938 -0.083 -6.514 1.00 0.00 N ATOM 1849 CA SER A 118 11.710 -0.475 -7.895 1.00 0.00 C ATOM 1850 C SER A 118 10.230 -0.313 -8.248 1.00 0.00 C ATOM 1851 O SER A 118 9.365 -0.433 -7.381 1.00 0.00 O ATOM 1852 CB SER A 118 12.159 -1.917 -8.139 1.00 0.00 C ATOM 1853 OG SER A 118 11.597 -2.457 -9.332 1.00 0.00 O ATOM 0 H SER A 118 11.148 0.383 -6.067 1.00 0.00 H new ATOM 0 HA SER A 118 12.303 0.176 -8.538 1.00 0.00 H new ATOM 0 HB2 SER A 118 13.247 -1.952 -8.203 1.00 0.00 H new ATOM 0 HB3 SER A 118 11.869 -2.536 -7.290 1.00 0.00 H new ATOM 0 HG SER A 118 11.909 -3.378 -9.453 1.00 0.00 H new ATOM 1859 N MET A 119 9.985 -0.042 -9.521 1.00 0.00 N ATOM 1860 CA MET A 119 8.625 0.138 -9.999 1.00 0.00 C ATOM 1861 C MET A 119 7.810 -1.146 -9.833 1.00 0.00 C ATOM 1862 O MET A 119 6.590 -1.136 -9.986 1.00 0.00 O ATOM 1863 CB MET A 119 8.651 0.539 -11.475 1.00 0.00 C ATOM 1864 CG MET A 119 7.351 1.239 -11.877 1.00 0.00 C ATOM 1865 SD MET A 119 7.615 3.001 -11.986 1.00 0.00 S ATOM 1866 CE MET A 119 7.593 3.426 -10.252 1.00 0.00 C ATOM 0 H MET A 119 10.705 0.057 -10.236 1.00 0.00 H new ATOM 0 HA MET A 119 8.154 0.924 -9.408 1.00 0.00 H new ATOM 0 HB2 MET A 119 9.497 1.201 -11.661 1.00 0.00 H new ATOM 0 HB3 MET A 119 8.797 -0.347 -12.093 1.00 0.00 H new ATOM 0 HG2 MET A 119 7.003 0.855 -12.836 1.00 0.00 H new ATOM 0 HG3 MET A 119 6.572 1.024 -11.146 1.00 0.00 H new ATOM 0 HE1 MET A 119 7.267 4.459 -10.135 1.00 0.00 H new ATOM 0 HE2 MET A 119 6.904 2.766 -9.724 1.00 0.00 H new ATOM 0 HE3 MET A 119 8.594 3.312 -9.837 1.00 0.00 H new ATOM 1876 N SER A 120 8.519 -2.222 -9.522 1.00 0.00 N ATOM 1877 CA SER A 120 7.877 -3.512 -9.333 1.00 0.00 C ATOM 1878 C SER A 120 7.545 -3.720 -7.854 1.00 0.00 C ATOM 1879 O SER A 120 7.534 -4.850 -7.370 1.00 0.00 O ATOM 1880 CB SER A 120 8.766 -4.649 -9.843 1.00 0.00 C ATOM 1881 OG SER A 120 8.482 -4.981 -11.199 1.00 0.00 O ATOM 0 H SER A 120 9.531 -2.227 -9.396 1.00 0.00 H new ATOM 0 HA SER A 120 6.953 -3.522 -9.911 1.00 0.00 H new ATOM 0 HB2 SER A 120 9.813 -4.359 -9.752 1.00 0.00 H new ATOM 0 HB3 SER A 120 8.623 -5.530 -9.217 1.00 0.00 H new ATOM 0 HG SER A 120 9.071 -5.709 -11.488 1.00 0.00 H new ATOM 1887 N VAL A 121 7.282 -2.611 -7.178 1.00 0.00 N ATOM 1888 CA VAL A 121 6.950 -2.658 -5.764 1.00 0.00 C ATOM 1889 C VAL A 121 5.623 -1.932 -5.532 1.00 0.00 C ATOM 1890 O VAL A 121 5.393 -0.859 -6.088 1.00 0.00 O ATOM 1891 CB VAL A 121 8.101 -2.081 -4.938 1.00 0.00 C ATOM 1892 CG1 VAL A 121 7.728 -2.007 -3.455 1.00 0.00 C ATOM 1893 CG2 VAL A 121 9.382 -2.891 -5.141 1.00 0.00 C ATOM 0 H VAL A 121 7.292 -1.675 -7.583 1.00 0.00 H new ATOM 0 HA VAL A 121 6.817 -3.689 -5.436 1.00 0.00 H new ATOM 0 HB VAL A 121 8.288 -1.066 -5.288 1.00 0.00 H new ATOM 0 HG11 VAL A 121 8.563 -1.593 -2.890 1.00 0.00 H new ATOM 0 HG12 VAL A 121 6.854 -1.368 -3.331 1.00 0.00 H new ATOM 0 HG13 VAL A 121 7.501 -3.007 -3.087 1.00 0.00 H new ATOM 0 HG21 VAL A 121 10.184 -2.459 -4.542 1.00 0.00 H new ATOM 0 HG22 VAL A 121 9.213 -3.922 -4.832 1.00 0.00 H new ATOM 0 HG23 VAL A 121 9.663 -2.869 -6.194 1.00 0.00 H new ATOM 1903 N ASP A 122 4.786 -2.545 -4.709 1.00 0.00 N ATOM 1904 CA ASP A 122 3.488 -1.971 -4.396 1.00 0.00 C ATOM 1905 C ASP A 122 3.220 -2.114 -2.897 1.00 0.00 C ATOM 1906 O ASP A 122 2.078 -2.003 -2.454 1.00 0.00 O ATOM 1907 CB ASP A 122 2.369 -2.694 -5.148 1.00 0.00 C ATOM 1908 CG ASP A 122 1.986 -2.073 -6.492 1.00 0.00 C ATOM 1909 OD1 ASP A 122 2.863 -2.060 -7.383 1.00 0.00 O ATOM 1910 OD2 ASP A 122 0.824 -1.623 -6.599 1.00 0.00 O ATOM 0 H ASP A 122 4.981 -3.434 -4.249 1.00 0.00 H new ATOM 0 HA ASP A 122 3.503 -0.923 -4.694 1.00 0.00 H new ATOM 0 HB2 ASP A 122 2.673 -3.727 -5.316 1.00 0.00 H new ATOM 0 HB3 ASP A 122 1.484 -2.722 -4.512 1.00 0.00 H new ATOM 1915 N ALA A 123 4.292 -2.358 -2.157 1.00 0.00 N ATOM 1916 CA ALA A 123 4.186 -2.517 -0.717 1.00 0.00 C ATOM 1917 C ALA A 123 5.587 -2.669 -0.121 1.00 0.00 C ATOM 1918 O ALA A 123 6.448 -3.324 -0.708 1.00 0.00 O ATOM 1919 CB ALA A 123 3.286 -3.713 -0.400 1.00 0.00 C ATOM 0 H ALA A 123 5.238 -2.449 -2.528 1.00 0.00 H new ATOM 0 HA ALA A 123 3.729 -1.636 -0.266 1.00 0.00 H new ATOM 0 HB1 ALA A 123 3.207 -3.832 0.681 1.00 0.00 H new ATOM 0 HB2 ALA A 123 2.295 -3.544 -0.820 1.00 0.00 H new ATOM 0 HB3 ALA A 123 3.715 -4.616 -0.834 1.00 0.00 H new ATOM 1925 N PHE A 124 5.773 -2.052 1.037 1.00 0.00 N ATOM 1926 CA PHE A 124 7.055 -2.111 1.719 1.00 0.00 C ATOM 1927 C PHE A 124 6.879 -1.960 3.231 1.00 0.00 C ATOM 1928 O PHE A 124 5.897 -1.379 3.690 1.00 0.00 O ATOM 1929 CB PHE A 124 7.893 -0.942 1.196 1.00 0.00 C ATOM 1930 CG PHE A 124 7.456 0.424 1.727 1.00 0.00 C ATOM 1931 CD1 PHE A 124 6.216 0.901 1.439 1.00 0.00 C ATOM 1932 CD2 PHE A 124 8.309 1.162 2.488 1.00 0.00 C ATOM 1933 CE1 PHE A 124 5.810 2.169 1.932 1.00 0.00 C ATOM 1934 CE2 PHE A 124 7.903 2.430 2.982 1.00 0.00 C ATOM 1935 CZ PHE A 124 6.663 2.907 2.693 1.00 0.00 C ATOM 0 H PHE A 124 5.057 -1.509 1.520 1.00 0.00 H new ATOM 0 HA PHE A 124 7.533 -3.072 1.530 1.00 0.00 H new ATOM 0 HB2 PHE A 124 8.936 -1.108 1.464 1.00 0.00 H new ATOM 0 HB3 PHE A 124 7.842 -0.930 0.107 1.00 0.00 H new ATOM 0 HD1 PHE A 124 5.539 0.315 0.835 1.00 0.00 H new ATOM 0 HD2 PHE A 124 9.294 0.784 2.716 1.00 0.00 H new ATOM 0 HE1 PHE A 124 4.825 2.548 1.703 1.00 0.00 H new ATOM 0 HE2 PHE A 124 8.579 3.015 3.587 1.00 0.00 H new ATOM 0 HZ PHE A 124 6.355 3.872 3.068 1.00 0.00 H new ATOM 1945 N THR A 125 7.846 -2.493 3.963 1.00 0.00 N ATOM 1946 CA THR A 125 7.810 -2.425 5.414 1.00 0.00 C ATOM 1947 C THR A 125 9.161 -1.955 5.959 1.00 0.00 C ATOM 1948 O THR A 125 10.154 -2.675 5.870 1.00 0.00 O ATOM 1949 CB THR A 125 7.386 -3.797 5.942 1.00 0.00 C ATOM 1950 OG1 THR A 125 8.323 -4.698 5.358 1.00 0.00 O ATOM 1951 CG2 THR A 125 6.036 -4.248 5.381 1.00 0.00 C ATOM 0 H THR A 125 8.659 -2.974 3.579 1.00 0.00 H new ATOM 0 HA THR A 125 7.082 -1.690 5.758 1.00 0.00 H new ATOM 0 HB THR A 125 7.335 -3.768 7.030 1.00 0.00 H new ATOM 0 HG1 THR A 125 9.213 -4.288 5.355 1.00 0.00 H new ATOM 0 HG21 THR A 125 5.782 -5.227 5.787 1.00 0.00 H new ATOM 0 HG22 THR A 125 5.267 -3.528 5.661 1.00 0.00 H new ATOM 0 HG23 THR A 125 6.096 -4.310 4.294 1.00 0.00 H new ATOM 1959 N ILE A 126 9.153 -0.751 6.511 1.00 0.00 N ATOM 1960 CA ILE A 126 10.365 -0.177 7.071 1.00 0.00 C ATOM 1961 C ILE A 126 10.873 -1.072 8.203 1.00 0.00 C ATOM 1962 O ILE A 126 10.194 -2.015 8.606 1.00 0.00 O ATOM 1963 CB ILE A 126 10.125 1.274 7.495 1.00 0.00 C ATOM 1964 CG1 ILE A 126 9.160 1.346 8.680 1.00 0.00 C ATOM 1965 CG2 ILE A 126 9.645 2.118 6.313 1.00 0.00 C ATOM 1966 CD1 ILE A 126 8.902 2.797 9.089 1.00 0.00 C ATOM 0 H ILE A 126 8.327 -0.157 6.583 1.00 0.00 H new ATOM 0 HA ILE A 126 11.151 -0.139 6.317 1.00 0.00 H new ATOM 0 HB ILE A 126 11.074 1.695 7.827 1.00 0.00 H new ATOM 0 HG12 ILE A 126 8.218 0.866 8.416 1.00 0.00 H new ATOM 0 HG13 ILE A 126 9.573 0.794 9.524 1.00 0.00 H new ATOM 0 HG21 ILE A 126 9.482 3.145 6.641 1.00 0.00 H new ATOM 0 HG22 ILE A 126 10.399 2.104 5.526 1.00 0.00 H new ATOM 0 HG23 ILE A 126 8.711 1.708 5.928 1.00 0.00 H new ATOM 0 HD11 ILE A 126 8.213 2.820 9.933 1.00 0.00 H new ATOM 0 HD12 ILE A 126 9.843 3.267 9.376 1.00 0.00 H new ATOM 0 HD13 ILE A 126 8.466 3.339 8.250 1.00 0.00 H new ATOM 1978 N GLN A 127 12.064 -0.746 8.684 1.00 0.00 N ATOM 1979 CA GLN A 127 12.670 -1.508 9.761 1.00 0.00 C ATOM 1980 C GLN A 127 11.707 -1.613 10.945 1.00 0.00 C ATOM 1981 O GLN A 127 10.591 -1.099 10.890 1.00 0.00 O ATOM 1982 CB GLN A 127 14.001 -0.888 10.191 1.00 0.00 C ATOM 1983 CG GLN A 127 15.102 -1.191 9.172 1.00 0.00 C ATOM 1984 CD GLN A 127 16.380 -0.416 9.499 1.00 0.00 C ATOM 1985 OE1 GLN A 127 16.230 0.905 9.484 1.00 0.00 O flip ATOM 1986 NE2 GLN A 127 17.433 -0.980 9.748 1.00 0.00 N flip ATOM 0 H GLN A 127 12.625 0.036 8.347 1.00 0.00 H new ATOM 0 HA GLN A 127 12.877 -2.514 9.395 1.00 0.00 H new ATOM 0 HB2 GLN A 127 13.886 0.191 10.298 1.00 0.00 H new ATOM 0 HB3 GLN A 127 14.288 -1.276 11.168 1.00 0.00 H new ATOM 0 HG2 GLN A 127 15.312 -2.260 9.166 1.00 0.00 H new ATOM 0 HG3 GLN A 127 14.759 -0.928 8.171 1.00 0.00 H new ATOM 0 HE21 GLN A 127 17.479 -1.999 9.743 1.00 0.00 H new ATOM 0 HE22 GLN A 127 18.267 -0.433 9.962 1.00 0.00 H new ATOM 1995 N GLY A 128 12.173 -2.284 11.989 1.00 0.00 N ATOM 1996 CA GLY A 128 11.367 -2.463 13.184 1.00 0.00 C ATOM 1997 C GLY A 128 11.771 -1.466 14.272 1.00 0.00 C ATOM 1998 O GLY A 128 10.932 -1.022 15.055 1.00 0.00 O ATOM 0 H GLY A 128 13.099 -2.710 12.031 1.00 0.00 H new ATOM 0 HA2 GLY A 128 10.313 -2.332 12.939 1.00 0.00 H new ATOM 0 HA3 GLY A 128 11.484 -3.481 13.557 1.00 0.00 H new ATOM 2002 N HIS A 129 13.056 -1.144 14.287 1.00 0.00 N ATOM 2003 CA HIS A 129 13.581 -0.208 15.267 1.00 0.00 C ATOM 2004 C HIS A 129 12.992 1.182 15.016 1.00 0.00 C ATOM 2005 O HIS A 129 13.043 2.048 15.888 1.00 0.00 O ATOM 2006 CB HIS A 129 15.111 -0.213 15.258 1.00 0.00 C ATOM 2007 CG HIS A 129 15.721 0.512 14.082 1.00 0.00 C ATOM 2008 ND1 HIS A 129 15.649 1.822 13.708 1.00 0.00 N flip ATOM 2009 CD2 HIS A 129 16.510 -0.121 13.138 1.00 0.00 C flip ATOM 2010 CE1 HIS A 129 16.357 1.980 12.597 1.00 0.00 C flip ATOM 2011 NE2 HIS A 129 16.890 0.776 12.241 1.00 0.00 N flip ATOM 0 H HIS A 129 13.749 -1.514 13.637 1.00 0.00 H new ATOM 0 HA HIS A 129 13.280 -0.517 16.268 1.00 0.00 H new ATOM 0 HB2 HIS A 129 15.471 0.244 16.180 1.00 0.00 H new ATOM 0 HB3 HIS A 129 15.461 -1.245 15.256 1.00 0.00 H new ATOM 0 HD1 HIS A 129 15.138 2.555 14.199 1.00 0.00 H new ATOM 0 HD2 HIS A 129 16.772 -1.169 13.133 1.00 0.00 H new ATOM 0 HE1 HIS A 129 16.489 2.909 12.063 1.00 0.00 H new ATOM 2019 N LEU A 130 12.446 1.351 13.821 1.00 0.00 N ATOM 2020 CA LEU A 130 11.848 2.621 13.444 1.00 0.00 C ATOM 2021 C LEU A 130 10.666 2.917 14.369 1.00 0.00 C ATOM 2022 O LEU A 130 10.619 3.970 15.004 1.00 0.00 O ATOM 2023 CB LEU A 130 11.482 2.621 11.959 1.00 0.00 C ATOM 2024 CG LEU A 130 12.557 3.140 11.002 1.00 0.00 C ATOM 2025 CD1 LEU A 130 13.955 2.949 11.594 1.00 0.00 C ATOM 2026 CD2 LEU A 130 12.424 2.491 9.623 1.00 0.00 C ATOM 0 H LEU A 130 12.405 0.630 13.101 1.00 0.00 H new ATOM 0 HA LEU A 130 12.564 3.433 13.572 1.00 0.00 H new ATOM 0 HB2 LEU A 130 11.227 1.602 11.668 1.00 0.00 H new ATOM 0 HB3 LEU A 130 10.584 3.225 11.827 1.00 0.00 H new ATOM 0 HG LEU A 130 12.407 4.211 10.868 1.00 0.00 H new ATOM 0 HD11 LEU A 130 14.701 3.326 10.894 1.00 0.00 H new ATOM 0 HD12 LEU A 130 14.030 3.496 12.534 1.00 0.00 H new ATOM 0 HD13 LEU A 130 14.131 1.889 11.776 1.00 0.00 H new ATOM 0 HD21 LEU A 130 13.200 2.878 8.963 1.00 0.00 H new ATOM 0 HD22 LEU A 130 12.533 1.411 9.717 1.00 0.00 H new ATOM 0 HD23 LEU A 130 11.444 2.722 9.205 1.00 0.00 H new ATOM 2038 N TRP A 131 9.741 1.970 14.416 1.00 0.00 N ATOM 2039 CA TRP A 131 8.562 2.116 15.253 1.00 0.00 C ATOM 2040 C TRP A 131 9.027 2.250 16.705 1.00 0.00 C ATOM 2041 O TRP A 131 8.529 3.099 17.444 1.00 0.00 O ATOM 2042 CB TRP A 131 7.591 0.953 15.041 1.00 0.00 C ATOM 2043 CG TRP A 131 7.233 0.700 13.575 1.00 0.00 C ATOM 2044 CD1 TRP A 131 7.656 -0.294 12.782 1.00 0.00 C ATOM 2045 CD2 TRP A 131 6.356 1.500 12.755 1.00 0.00 C ATOM 2046 NE1 TRP A 131 7.117 -0.193 11.515 1.00 0.00 N ATOM 2047 CE2 TRP A 131 6.302 0.932 11.498 1.00 0.00 C ATOM 2048 CE3 TRP A 131 5.632 2.665 13.064 1.00 0.00 C ATOM 2049 CZ2 TRP A 131 5.537 1.459 10.451 1.00 0.00 C ATOM 2050 CZ3 TRP A 131 4.872 3.180 12.006 1.00 0.00 C ATOM 2051 CH2 TRP A 131 4.807 2.620 10.736 1.00 0.00 C ATOM 0 H TRP A 131 9.784 1.098 13.888 1.00 0.00 H new ATOM 0 HA TRP A 131 8.005 3.013 14.981 1.00 0.00 H new ATOM 0 HB2 TRP A 131 8.029 0.047 15.459 1.00 0.00 H new ATOM 0 HB3 TRP A 131 6.676 1.151 15.599 1.00 0.00 H new ATOM 0 HD1 TRP A 131 8.333 -1.075 13.095 1.00 0.00 H new ATOM 0 HE1 TRP A 131 7.286 -0.828 10.735 1.00 0.00 H new ATOM 0 HE3 TRP A 131 5.660 3.126 14.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 131 5.511 0.995 9.476 1.00 0.00 H new ATOM 0 HZ3 TRP A 131 4.296 4.075 12.190 1.00 0.00 H new ATOM 0 HH2 TRP A 131 4.196 3.078 9.972 1.00 0.00 H new