USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 560 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 51 SER OG : rot -89:sc= 0.59 USER MOD Set 1.2: A 52 GLN : amide:sc= 0.153 X(o=0.74,f=0.28) USER MOD Single : A 22 THR OG1 : rot -87:sc= 1.29 USER MOD Single : A 23 MET CE :methyl -129:sc= 0 (180deg=-0.288) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -56:sc= 1.98 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot -160:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -135:sc= -0.221 (180deg=-1.52) USER MOD Single : A 42 ASN : amide:sc= 1.03 K(o=1,f=0) USER MOD Single : A 44 LYS NZ :NH3+ -165:sc= 1.4 (180deg=1.01) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0.092 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl -179:sc=-0.00347 (180deg=-0.00588) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -138:sc= -0.154 (180deg=-1.31) USER MOD Single : A 62 ASN : amide:sc= -0.0977 K(o=-0.098,f=-1) USER MOD Single : A 63 MET CE :methyl 157:sc= -0.0203 (180deg=-0.723) USER MOD Single : A 66 CYS SG : rot 4:sc= 0.305 USER MOD Single : A 71 THR OG1 : rot 82:sc= 0.14 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0903 USER MOD Single : A 74 SER OG : rot 150:sc= -0.122 USER MOD Single : A 78 GLN : amide:sc= 0.485 X(o=0.48,f=0) USER MOD Single : A 82 HIS : no HE2:sc= 0.0643 X(o=0.064,f=-0.31) USER MOD Single : A 84 SER OG : rot -79:sc= 0.859 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 254 N PHE A 20 8.216 -10.496 5.563 1.00 0.00 N ATOM 255 CA PHE A 20 7.091 -9.674 5.143 1.00 0.00 C ATOM 256 C PHE A 20 7.608 -8.438 4.399 1.00 0.00 C ATOM 257 O PHE A 20 8.801 -8.131 4.437 1.00 0.00 O ATOM 258 CB PHE A 20 6.288 -9.259 6.383 1.00 0.00 C ATOM 259 CG PHE A 20 5.083 -10.104 6.734 1.00 0.00 C ATOM 260 CD1 PHE A 20 5.224 -11.396 7.271 1.00 0.00 C ATOM 261 CD2 PHE A 20 3.797 -9.553 6.584 1.00 0.00 C ATOM 262 CE1 PHE A 20 4.083 -12.130 7.640 1.00 0.00 C ATOM 263 CE2 PHE A 20 2.659 -10.300 6.920 1.00 0.00 C ATOM 264 CZ PHE A 20 2.798 -11.591 7.452 1.00 0.00 C ATOM 0 HA PHE A 20 6.445 -10.238 4.470 1.00 0.00 H new ATOM 0 HB2 PHE A 20 6.963 -9.258 7.239 1.00 0.00 H new ATOM 0 HB3 PHE A 20 5.952 -8.232 6.241 1.00 0.00 H new ATOM 0 HD1 PHE A 20 6.207 -11.824 7.400 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.686 -8.547 6.207 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.194 -13.114 8.071 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.675 -9.881 6.769 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.923 -12.167 7.715 1.00 0.00 H new ATOM 274 N VAL A 21 6.714 -7.710 3.741 1.00 0.00 N ATOM 275 CA VAL A 21 6.987 -6.503 2.976 1.00 0.00 C ATOM 276 C VAL A 21 5.982 -5.421 3.401 1.00 0.00 C ATOM 277 O VAL A 21 4.933 -5.715 3.989 1.00 0.00 O ATOM 278 CB VAL A 21 7.031 -6.853 1.470 1.00 0.00 C ATOM 279 CG1 VAL A 21 5.814 -7.640 0.970 1.00 0.00 C ATOM 280 CG2 VAL A 21 7.186 -5.623 0.573 1.00 0.00 C ATOM 0 H VAL A 21 5.725 -7.961 3.727 1.00 0.00 H new ATOM 0 HA VAL A 21 7.969 -6.078 3.183 1.00 0.00 H new ATOM 0 HB VAL A 21 7.915 -7.486 1.395 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.925 -7.844 -0.095 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.741 -8.582 1.514 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.909 -7.055 1.135 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.210 -5.935 -0.471 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.344 -4.949 0.731 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.114 -5.108 0.819 1.00 0.00 H new ATOM 290 N THR A 22 6.337 -4.151 3.238 1.00 0.00 N ATOM 291 CA THR A 22 5.491 -3.018 3.584 1.00 0.00 C ATOM 292 C THR A 22 5.085 -2.364 2.257 1.00 0.00 C ATOM 293 O THR A 22 5.939 -2.113 1.404 1.00 0.00 O ATOM 294 CB THR A 22 6.252 -2.098 4.549 1.00 0.00 C ATOM 295 OG1 THR A 22 6.786 -2.836 5.635 1.00 0.00 O ATOM 296 CG2 THR A 22 5.362 -1.008 5.138 1.00 0.00 C ATOM 0 H THR A 22 7.241 -3.876 2.853 1.00 0.00 H new ATOM 0 HA THR A 22 4.581 -3.295 4.115 1.00 0.00 H new ATOM 0 HB THR A 22 7.045 -1.640 3.958 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.114 -2.907 6.344 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.948 -0.385 5.813 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.960 -0.392 4.333 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.541 -1.467 5.689 1.00 0.00 H new ATOM 304 N MET A 23 3.784 -2.158 2.057 1.00 0.00 N ATOM 305 CA MET A 23 3.175 -1.566 0.869 1.00 0.00 C ATOM 306 C MET A 23 2.748 -0.126 1.144 1.00 0.00 C ATOM 307 O MET A 23 2.545 0.262 2.303 1.00 0.00 O ATOM 308 CB MET A 23 1.934 -2.397 0.504 1.00 0.00 C ATOM 309 CG MET A 23 2.257 -3.593 -0.392 1.00 0.00 C ATOM 310 SD MET A 23 2.383 -3.158 -2.139 1.00 0.00 S ATOM 311 CE MET A 23 2.472 -4.807 -2.872 1.00 0.00 C ATOM 0 H MET A 23 3.089 -2.414 2.759 1.00 0.00 H new ATOM 0 HA MET A 23 3.898 -1.563 0.053 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.460 -2.753 1.419 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.211 -1.757 -0.001 1.00 0.00 H new ATOM 0 HG2 MET A 23 3.197 -4.039 -0.067 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.484 -4.351 -0.268 1.00 0.00 H new ATOM 0 HE1 MET A 23 3.326 -4.859 -3.547 1.00 0.00 H new ATOM 0 HE2 MET A 23 2.587 -5.550 -2.083 1.00 0.00 H new ATOM 0 HE3 MET A 23 1.557 -5.008 -3.429 1.00 0.00 H new ATOM 321 N THR A 24 2.575 0.654 0.078 1.00 0.00 N ATOM 322 CA THR A 24 2.157 2.050 0.122 1.00 0.00 C ATOM 323 C THR A 24 1.081 2.254 -0.957 1.00 0.00 C ATOM 324 O THR A 24 1.047 1.535 -1.962 1.00 0.00 O ATOM 325 CB THR A 24 3.367 2.986 -0.093 1.00 0.00 C ATOM 326 OG1 THR A 24 4.585 2.439 0.378 1.00 0.00 O ATOM 327 CG2 THR A 24 3.178 4.329 0.606 1.00 0.00 C ATOM 0 H THR A 24 2.728 0.317 -0.873 1.00 0.00 H new ATOM 0 HA THR A 24 1.742 2.296 1.099 1.00 0.00 H new ATOM 0 HB THR A 24 3.421 3.116 -1.174 1.00 0.00 H new ATOM 0 HG1 THR A 24 5.314 3.073 0.214 1.00 0.00 H new ATOM 0 HG21 THR A 24 4.051 4.957 0.430 1.00 0.00 H new ATOM 0 HG22 THR A 24 2.290 4.823 0.211 1.00 0.00 H new ATOM 0 HG23 THR A 24 3.057 4.168 1.677 1.00 0.00 H new ATOM 335 N LEU A 25 0.176 3.210 -0.742 1.00 0.00 N ATOM 336 CA LEU A 25 -0.909 3.571 -1.645 1.00 0.00 C ATOM 337 C LEU A 25 -0.994 5.097 -1.585 1.00 0.00 C ATOM 338 O LEU A 25 -0.996 5.635 -0.475 1.00 0.00 O ATOM 339 CB LEU A 25 -2.202 2.883 -1.187 1.00 0.00 C ATOM 340 CG LEU A 25 -3.252 2.786 -2.301 1.00 0.00 C ATOM 341 CD1 LEU A 25 -2.934 1.711 -3.344 1.00 0.00 C ATOM 342 CD2 LEU A 25 -4.608 2.416 -1.705 1.00 0.00 C ATOM 0 H LEU A 25 0.183 3.777 0.106 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.744 3.247 -2.673 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.967 1.881 -0.828 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.622 3.433 -0.345 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.256 3.763 -2.784 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.717 1.697 -4.102 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.977 1.933 -3.815 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.882 0.737 -2.858 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.349 2.349 -2.501 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.532 1.454 -1.198 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.912 3.180 -0.990 1.00 0.00 H new ATOM 354 N GLU A 26 -1.089 5.781 -2.725 1.00 0.00 N ATOM 355 CA GLU A 26 -1.125 7.246 -2.812 1.00 0.00 C ATOM 356 C GLU A 26 -2.435 7.762 -3.437 1.00 0.00 C ATOM 357 O GLU A 26 -2.697 7.514 -4.619 1.00 0.00 O ATOM 358 CB GLU A 26 0.153 7.690 -3.564 1.00 0.00 C ATOM 359 CG GLU A 26 1.373 7.636 -2.615 1.00 0.00 C ATOM 360 CD GLU A 26 2.674 8.170 -3.224 1.00 0.00 C ATOM 361 OE1 GLU A 26 3.078 7.708 -4.316 1.00 0.00 O ATOM 362 OE2 GLU A 26 3.382 8.977 -2.571 1.00 0.00 O ATOM 0 H GLU A 26 -1.144 5.325 -3.635 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.125 7.695 -1.819 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.322 7.042 -4.424 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.025 8.702 -3.948 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.145 8.210 -1.717 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.529 6.603 -2.303 1.00 0.00 H new ATOM 369 N SER A 27 -3.265 8.438 -2.628 1.00 0.00 N ATOM 370 CA SER A 27 -4.566 9.025 -2.963 1.00 0.00 C ATOM 371 C SER A 27 -4.455 10.333 -3.768 1.00 0.00 C ATOM 372 O SER A 27 -3.412 10.991 -3.769 1.00 0.00 O ATOM 373 CB SER A 27 -5.316 9.341 -1.657 1.00 0.00 C ATOM 374 OG SER A 27 -5.303 8.254 -0.749 1.00 0.00 O ATOM 0 H SER A 27 -3.024 8.599 -1.650 1.00 0.00 H new ATOM 0 HA SER A 27 -5.092 8.296 -3.580 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.863 10.212 -1.183 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.348 9.605 -1.889 1.00 0.00 H new ATOM 0 HG SER A 27 -5.674 7.459 -1.185 1.00 0.00 H new ATOM 380 N LEU A 28 -5.554 10.748 -4.406 1.00 0.00 N ATOM 381 CA LEU A 28 -5.663 11.959 -5.224 1.00 0.00 C ATOM 382 C LEU A 28 -5.912 13.225 -4.395 1.00 0.00 C ATOM 383 O LEU A 28 -5.708 14.335 -4.897 1.00 0.00 O ATOM 384 CB LEU A 28 -6.833 11.803 -6.220 1.00 0.00 C ATOM 385 CG LEU A 28 -6.493 10.993 -7.485 1.00 0.00 C ATOM 386 CD1 LEU A 28 -6.207 9.513 -7.223 1.00 0.00 C ATOM 387 CD2 LEU A 28 -7.654 11.090 -8.484 1.00 0.00 C ATOM 0 H LEU A 28 -6.429 10.226 -4.364 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.708 12.074 -5.737 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.666 11.321 -5.709 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.173 12.794 -6.519 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.577 11.431 -7.881 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.977 9.015 -8.165 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.357 9.421 -6.546 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.083 9.048 -6.771 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.413 10.517 -9.379 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.560 10.689 -8.029 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.815 12.134 -8.754 1.00 0.00 H new ATOM 399 N GLU A 29 -6.391 13.102 -3.156 1.00 0.00 N ATOM 400 CA GLU A 29 -6.686 14.212 -2.253 1.00 0.00 C ATOM 401 C GLU A 29 -6.810 13.668 -0.825 1.00 0.00 C ATOM 402 O GLU A 29 -6.416 12.533 -0.560 1.00 0.00 O ATOM 403 CB GLU A 29 -7.966 14.946 -2.704 1.00 0.00 C ATOM 404 CG GLU A 29 -9.242 14.119 -2.501 1.00 0.00 C ATOM 405 CD GLU A 29 -10.114 14.063 -3.747 1.00 0.00 C ATOM 406 OE1 GLU A 29 -9.824 13.248 -4.650 1.00 0.00 O ATOM 407 OE2 GLU A 29 -11.188 14.715 -3.757 1.00 0.00 O ATOM 0 H GLU A 29 -6.591 12.192 -2.740 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.877 14.942 -2.277 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.055 15.881 -2.150 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.874 15.208 -3.758 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.969 13.105 -2.208 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.818 14.544 -1.679 1.00 0.00 H new ATOM 414 N GLU A 30 -7.254 14.509 0.108 1.00 0.00 N ATOM 415 CA GLU A 30 -7.454 14.129 1.501 1.00 0.00 C ATOM 416 C GLU A 30 -8.704 13.247 1.589 1.00 0.00 C ATOM 417 O GLU A 30 -9.643 13.412 0.807 1.00 0.00 O ATOM 418 CB GLU A 30 -7.627 15.400 2.346 1.00 0.00 C ATOM 419 CG GLU A 30 -6.288 16.109 2.605 1.00 0.00 C ATOM 420 CD GLU A 30 -6.345 17.626 2.376 1.00 0.00 C ATOM 421 OE1 GLU A 30 -7.135 18.336 3.040 1.00 0.00 O ATOM 422 OE2 GLU A 30 -5.526 18.134 1.568 1.00 0.00 O ATOM 0 H GLU A 30 -7.487 15.483 -0.087 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.596 13.573 1.879 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.306 16.084 1.837 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.090 15.141 3.298 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.976 15.916 3.631 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.526 15.679 1.954 1.00 0.00 H new ATOM 429 N ILE A 31 -8.739 12.348 2.570 1.00 0.00 N ATOM 430 CA ILE A 31 -9.841 11.416 2.806 1.00 0.00 C ATOM 431 C ILE A 31 -10.357 11.556 4.242 1.00 0.00 C ATOM 432 O ILE A 31 -9.758 12.265 5.054 1.00 0.00 O ATOM 433 CB ILE A 31 -9.399 9.975 2.467 1.00 0.00 C ATOM 434 CG1 ILE A 31 -8.193 9.533 3.323 1.00 0.00 C ATOM 435 CG2 ILE A 31 -9.086 9.852 0.963 1.00 0.00 C ATOM 436 CD1 ILE A 31 -7.973 8.019 3.298 1.00 0.00 C ATOM 0 H ILE A 31 -7.979 12.244 3.243 1.00 0.00 H new ATOM 0 HA ILE A 31 -10.674 11.658 2.146 1.00 0.00 H new ATOM 0 HB ILE A 31 -10.225 9.305 2.706 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -7.294 10.032 2.962 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -8.346 9.857 4.353 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -8.776 8.832 0.738 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -9.977 10.096 0.385 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -8.283 10.541 0.701 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -7.112 7.766 3.917 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -8.859 7.516 3.686 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -7.791 7.695 2.273 1.00 0.00 H new ATOM 448 N GLN A 32 -11.471 10.886 4.553 1.00 0.00 N ATOM 449 CA GLN A 32 -12.087 10.904 5.874 1.00 0.00 C ATOM 450 C GLN A 32 -11.195 10.149 6.865 1.00 0.00 C ATOM 451 O GLN A 32 -10.620 10.736 7.779 1.00 0.00 O ATOM 452 CB GLN A 32 -13.489 10.260 5.811 1.00 0.00 C ATOM 453 CG GLN A 32 -14.569 11.128 5.152 1.00 0.00 C ATOM 454 CD GLN A 32 -15.049 12.234 6.085 1.00 0.00 C ATOM 455 OE1 GLN A 32 -15.837 11.988 6.999 1.00 0.00 O ATOM 456 NE2 GLN A 32 -14.591 13.454 5.890 1.00 0.00 N ATOM 0 H GLN A 32 -11.974 10.308 3.880 1.00 0.00 H new ATOM 0 HA GLN A 32 -12.195 11.935 6.210 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -13.417 9.319 5.265 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -13.807 10.017 6.825 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -14.173 11.569 4.237 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -15.414 10.502 4.864 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -13.939 13.638 5.128 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -14.889 14.214 6.501 1.00 0.00 H new ATOM 465 N ASP A 33 -11.094 8.832 6.700 1.00 0.00 N ATOM 466 CA ASP A 33 -10.323 7.925 7.542 1.00 0.00 C ATOM 467 C ASP A 33 -9.990 6.676 6.731 1.00 0.00 C ATOM 468 O ASP A 33 -10.484 6.509 5.609 1.00 0.00 O ATOM 469 CB ASP A 33 -11.166 7.513 8.763 1.00 0.00 C ATOM 470 CG ASP A 33 -10.975 8.430 9.958 1.00 0.00 C ATOM 471 OD1 ASP A 33 -9.842 8.487 10.478 1.00 0.00 O ATOM 472 OD2 ASP A 33 -11.988 9.003 10.422 1.00 0.00 O ATOM 0 H ASP A 33 -11.570 8.347 5.940 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.411 8.418 7.878 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -12.220 7.506 8.483 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.905 6.494 9.050 1.00 0.00 H new ATOM 477 N VAL A 34 -9.221 5.760 7.329 1.00 0.00 N ATOM 478 CA VAL A 34 -8.777 4.500 6.736 1.00 0.00 C ATOM 479 C VAL A 34 -9.905 3.668 6.122 1.00 0.00 C ATOM 480 O VAL A 34 -9.642 2.899 5.200 1.00 0.00 O ATOM 481 CB VAL A 34 -7.952 3.677 7.747 1.00 0.00 C ATOM 482 CG1 VAL A 34 -6.758 4.483 8.261 1.00 0.00 C ATOM 483 CG2 VAL A 34 -8.735 3.179 8.966 1.00 0.00 C ATOM 0 H VAL A 34 -8.878 5.885 8.281 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.135 4.773 5.899 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.636 2.801 7.180 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -6.192 3.881 8.972 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.115 4.755 7.424 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.115 5.387 8.754 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -8.071 2.612 9.618 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -9.139 4.032 9.512 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -9.553 2.539 8.636 1.00 0.00 H new ATOM 493 N SER A 35 -11.158 3.823 6.566 1.00 0.00 N ATOM 494 CA SER A 35 -12.269 3.069 6.000 1.00 0.00 C ATOM 495 C SER A 35 -12.426 3.348 4.501 1.00 0.00 C ATOM 496 O SER A 35 -12.987 2.510 3.802 1.00 0.00 O ATOM 497 CB SER A 35 -13.555 3.334 6.774 1.00 0.00 C ATOM 498 OG SER A 35 -13.339 2.961 8.115 1.00 0.00 O ATOM 0 H SER A 35 -11.422 4.464 7.314 1.00 0.00 H new ATOM 0 HA SER A 35 -12.046 2.007 6.099 1.00 0.00 H new ATOM 0 HB2 SER A 35 -13.828 4.387 6.710 1.00 0.00 H new ATOM 0 HB3 SER A 35 -14.381 2.764 6.348 1.00 0.00 H new ATOM 0 HG SER A 35 -14.153 3.124 8.635 1.00 0.00 H new ATOM 504 N CYS A 36 -11.958 4.495 3.992 1.00 0.00 N ATOM 505 CA CYS A 36 -12.032 4.815 2.569 1.00 0.00 C ATOM 506 C CYS A 36 -11.186 3.761 1.847 1.00 0.00 C ATOM 507 O CYS A 36 -11.682 3.036 0.983 1.00 0.00 O ATOM 508 CB CYS A 36 -11.488 6.231 2.318 1.00 0.00 C ATOM 509 SG CYS A 36 -12.620 7.456 3.027 1.00 0.00 S ATOM 0 H CYS A 36 -11.519 5.222 4.557 1.00 0.00 H new ATOM 0 HA CYS A 36 -13.059 4.800 2.204 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -10.499 6.335 2.764 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -11.375 6.403 1.248 1.00 0.00 H new ATOM 0 HG CYS A 36 -12.408 8.614 2.474 1.00 0.00 H new ATOM 515 N ALA A 37 -9.916 3.649 2.253 1.00 0.00 N ATOM 516 CA ALA A 37 -8.975 2.694 1.696 1.00 0.00 C ATOM 517 C ALA A 37 -9.484 1.271 1.931 1.00 0.00 C ATOM 518 O ALA A 37 -9.508 0.480 0.998 1.00 0.00 O ATOM 519 CB ALA A 37 -7.586 2.901 2.303 1.00 0.00 C ATOM 0 H ALA A 37 -9.516 4.231 2.989 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.891 2.852 0.621 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.891 2.178 1.876 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.240 3.911 2.083 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.636 2.762 3.383 1.00 0.00 H new ATOM 525 N TRP A 38 -9.945 0.915 3.141 1.00 0.00 N ATOM 526 CA TRP A 38 -10.453 -0.438 3.390 1.00 0.00 C ATOM 527 C TRP A 38 -11.585 -0.783 2.430 1.00 0.00 C ATOM 528 O TRP A 38 -11.612 -1.892 1.895 1.00 0.00 O ATOM 529 CB TRP A 38 -10.946 -0.641 4.826 1.00 0.00 C ATOM 530 CG TRP A 38 -9.918 -1.019 5.840 1.00 0.00 C ATOM 531 CD1 TRP A 38 -9.752 -0.418 7.038 1.00 0.00 C ATOM 532 CD2 TRP A 38 -8.986 -2.150 5.826 1.00 0.00 C ATOM 533 NE1 TRP A 38 -8.788 -1.090 7.757 1.00 0.00 N ATOM 534 CE2 TRP A 38 -8.271 -2.155 7.059 1.00 0.00 C ATOM 535 CE3 TRP A 38 -8.681 -3.188 4.914 1.00 0.00 C ATOM 536 CZ2 TRP A 38 -7.306 -3.124 7.366 1.00 0.00 C ATOM 537 CZ3 TRP A 38 -7.709 -4.165 5.215 1.00 0.00 C ATOM 538 CH2 TRP A 38 -7.025 -4.137 6.439 1.00 0.00 C ATOM 0 H TRP A 38 -9.975 1.537 3.949 1.00 0.00 H new ATOM 0 HA TRP A 38 -9.605 -1.103 3.227 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -11.425 0.281 5.155 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -11.715 -1.414 4.816 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -10.291 0.454 7.379 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -8.493 -0.828 8.697 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -9.202 -3.233 3.969 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -6.783 -3.090 8.310 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -7.490 -4.941 4.497 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -6.286 -4.891 6.666 1.00 0.00 H new ATOM 549 N LYS A 39 -12.528 0.136 2.202 1.00 0.00 N ATOM 550 CA LYS A 39 -13.630 -0.134 1.295 1.00 0.00 C ATOM 551 C LYS A 39 -13.117 -0.279 -0.132 1.00 0.00 C ATOM 552 O LYS A 39 -13.620 -1.158 -0.827 1.00 0.00 O ATOM 553 CB LYS A 39 -14.706 0.946 1.376 1.00 0.00 C ATOM 554 CG LYS A 39 -15.529 0.939 2.667 1.00 0.00 C ATOM 555 CD LYS A 39 -16.370 2.214 2.825 1.00 0.00 C ATOM 556 CE LYS A 39 -17.393 2.448 1.699 1.00 0.00 C ATOM 557 NZ LYS A 39 -16.813 3.051 0.476 1.00 0.00 N ATOM 0 H LYS A 39 -12.545 1.061 2.631 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.090 -1.074 1.600 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.230 1.921 1.271 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -15.383 0.828 0.530 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -16.186 0.069 2.672 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.860 0.839 3.522 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -16.900 2.169 3.776 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.700 3.072 2.874 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -17.856 1.496 1.438 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -18.186 3.097 2.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.432 3.816 0.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.872 3.437 0.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -16.727 2.324 -0.263 1.00 0.00 H new ATOM 571 N GLU A 40 -12.186 0.556 -0.606 1.00 0.00 N ATOM 572 CA GLU A 40 -11.668 0.419 -1.969 1.00 0.00 C ATOM 573 C GLU A 40 -10.917 -0.918 -2.073 1.00 0.00 C ATOM 574 O GLU A 40 -11.136 -1.678 -3.015 1.00 0.00 O ATOM 575 CB GLU A 40 -10.801 1.613 -2.384 1.00 0.00 C ATOM 576 CG GLU A 40 -10.522 1.525 -3.901 1.00 0.00 C ATOM 577 CD GLU A 40 -9.442 2.466 -4.397 1.00 0.00 C ATOM 578 OE1 GLU A 40 -8.392 2.552 -3.737 1.00 0.00 O ATOM 579 OE2 GLU A 40 -9.669 3.054 -5.493 1.00 0.00 O ATOM 0 H GLU A 40 -11.780 1.325 -0.072 1.00 0.00 H new ATOM 0 HA GLU A 40 -12.500 0.416 -2.673 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.309 2.548 -2.148 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.864 1.610 -1.827 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.236 0.502 -4.146 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.446 1.736 -4.440 1.00 0.00 H new ATOM 586 N LEU A 41 -10.104 -1.276 -1.073 1.00 0.00 N ATOM 587 CA LEU A 41 -9.359 -2.531 -1.046 1.00 0.00 C ATOM 588 C LEU A 41 -10.371 -3.674 -1.164 1.00 0.00 C ATOM 589 O LEU A 41 -10.203 -4.563 -1.990 1.00 0.00 O ATOM 590 CB LEU A 41 -8.537 -2.641 0.252 1.00 0.00 C ATOM 591 CG LEU A 41 -7.280 -1.749 0.299 1.00 0.00 C ATOM 592 CD1 LEU A 41 -6.818 -1.576 1.756 1.00 0.00 C ATOM 593 CD2 LEU A 41 -6.132 -2.344 -0.519 1.00 0.00 C ATOM 0 H LEU A 41 -9.946 -0.692 -0.252 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.652 -2.577 -1.874 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.179 -2.385 1.095 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.234 -3.679 0.387 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.546 -0.784 -0.132 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.930 -0.945 1.784 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.613 -1.109 2.337 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.583 -2.552 2.182 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.265 -1.686 -0.461 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.871 -3.324 -0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.441 -2.446 -1.559 1.00 0.00 H new ATOM 605 N ASN A 42 -11.457 -3.639 -0.381 1.00 0.00 N ATOM 606 CA ASN A 42 -12.509 -4.665 -0.411 1.00 0.00 C ATOM 607 C ASN A 42 -13.288 -4.635 -1.741 1.00 0.00 C ATOM 608 O ASN A 42 -14.001 -5.582 -2.049 1.00 0.00 O ATOM 609 CB ASN A 42 -13.460 -4.523 0.793 1.00 0.00 C ATOM 610 CG ASN A 42 -12.917 -5.175 2.063 1.00 0.00 C ATOM 611 OD1 ASN A 42 -13.331 -6.266 2.445 1.00 0.00 O ATOM 612 ND2 ASN A 42 -11.984 -4.553 2.762 1.00 0.00 N ATOM 0 H ASN A 42 -11.632 -2.895 0.294 1.00 0.00 H new ATOM 0 HA ASN A 42 -12.021 -5.637 -0.338 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -13.641 -3.465 0.983 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -14.422 -4.971 0.544 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.614 -4.980 3.611 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -11.634 -3.646 2.452 1.00 0.00 H new ATOM 619 N ARG A 43 -13.201 -3.558 -2.531 1.00 0.00 N ATOM 620 CA ARG A 43 -13.855 -3.406 -3.835 1.00 0.00 C ATOM 621 C ARG A 43 -12.965 -3.959 -4.945 1.00 0.00 C ATOM 622 O ARG A 43 -13.437 -4.033 -6.079 1.00 0.00 O ATOM 623 CB ARG A 43 -14.128 -1.912 -4.133 1.00 0.00 C ATOM 624 CG ARG A 43 -15.565 -1.493 -3.846 1.00 0.00 C ATOM 625 CD ARG A 43 -16.473 -1.680 -5.064 1.00 0.00 C ATOM 626 NE ARG A 43 -17.876 -1.473 -4.682 1.00 0.00 N ATOM 627 CZ ARG A 43 -18.870 -0.975 -5.423 1.00 0.00 C ATOM 628 NH1 ARG A 43 -18.671 -0.495 -6.645 1.00 0.00 N ATOM 629 NH2 ARG A 43 -20.092 -0.954 -4.911 1.00 0.00 N ATOM 0 H ARG A 43 -12.653 -2.739 -2.269 1.00 0.00 H new ATOM 0 HA ARG A 43 -14.795 -3.957 -3.801 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -13.452 -1.300 -3.536 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -13.900 -1.710 -5.180 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -15.953 -2.078 -3.012 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -15.583 -0.448 -3.538 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -16.193 -0.976 -5.848 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -16.343 -2.682 -5.474 1.00 0.00 H new ATOM 0 HE ARG A 43 -18.123 -1.744 -3.730 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -17.734 -0.499 -7.048 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -19.455 -0.123 -7.181 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -20.257 -1.313 -3.971 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -20.867 -0.579 -5.457 1.00 0.00 H new ATOM 643 N LYS A 44 -11.723 -4.360 -4.657 1.00 0.00 N ATOM 644 CA LYS A 44 -10.776 -4.883 -5.635 1.00 0.00 C ATOM 645 C LYS A 44 -10.082 -6.166 -5.199 1.00 0.00 C ATOM 646 O LYS A 44 -9.379 -6.761 -6.021 1.00 0.00 O ATOM 647 CB LYS A 44 -9.720 -3.788 -5.871 1.00 0.00 C ATOM 648 CG LYS A 44 -10.291 -2.504 -6.489 1.00 0.00 C ATOM 649 CD LYS A 44 -10.769 -2.776 -7.917 1.00 0.00 C ATOM 650 CE LYS A 44 -11.316 -1.517 -8.574 1.00 0.00 C ATOM 651 NZ LYS A 44 -11.569 -1.775 -9.999 1.00 0.00 N ATOM 0 H LYS A 44 -11.343 -4.327 -3.711 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.330 -5.138 -6.539 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.244 -3.543 -4.921 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.942 -4.181 -6.525 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.120 -2.137 -5.883 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.530 -1.724 -6.494 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.942 -3.167 -8.510 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.542 -3.545 -7.902 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.238 -1.208 -8.081 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -10.605 -0.698 -8.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -11.696 -0.871 -10.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.761 -2.286 -10.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.430 -2.350 -10.100 1.00 0.00 H new ATOM 665 N LEU A 45 -10.260 -6.601 -3.955 1.00 0.00 N ATOM 666 CA LEU A 45 -9.641 -7.791 -3.397 1.00 0.00 C ATOM 667 C LEU A 45 -10.716 -8.649 -2.745 1.00 0.00 C ATOM 668 O LEU A 45 -11.809 -8.169 -2.439 1.00 0.00 O ATOM 669 CB LEU A 45 -8.575 -7.377 -2.364 1.00 0.00 C ATOM 670 CG LEU A 45 -7.491 -6.417 -2.902 1.00 0.00 C ATOM 671 CD1 LEU A 45 -6.656 -5.887 -1.732 1.00 0.00 C ATOM 672 CD2 LEU A 45 -6.590 -7.100 -3.933 1.00 0.00 C ATOM 0 H LEU A 45 -10.860 -6.116 -3.288 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.156 -8.368 -4.184 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.073 -6.903 -1.519 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -8.089 -8.276 -1.984 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.988 -5.588 -3.405 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.890 -5.209 -2.109 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.303 -5.353 -1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.180 -6.722 -1.217 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.841 -6.392 -4.287 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.093 -7.954 -3.473 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.193 -7.441 -4.774 1.00 0.00 H new ATOM 684 N SER A 46 -10.392 -9.919 -2.535 1.00 0.00 N ATOM 685 CA SER A 46 -11.271 -10.903 -1.924 1.00 0.00 C ATOM 686 C SER A 46 -11.082 -10.823 -0.413 1.00 0.00 C ATOM 687 O SER A 46 -10.037 -10.370 0.066 1.00 0.00 O ATOM 688 CB SER A 46 -10.885 -12.292 -2.456 1.00 0.00 C ATOM 689 OG SER A 46 -11.922 -13.254 -2.337 1.00 0.00 O ATOM 0 H SER A 46 -9.483 -10.302 -2.794 1.00 0.00 H new ATOM 0 HA SER A 46 -12.318 -10.716 -2.164 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.601 -12.204 -3.505 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.007 -12.648 -1.916 1.00 0.00 H new ATOM 0 HG SER A 46 -11.614 -14.113 -2.694 1.00 0.00 H new ATOM 695 N SER A 47 -12.043 -11.325 0.358 1.00 0.00 N ATOM 696 CA SER A 47 -11.965 -11.316 1.813 1.00 0.00 C ATOM 697 C SER A 47 -10.731 -12.059 2.341 1.00 0.00 C ATOM 698 O SER A 47 -10.160 -11.619 3.340 1.00 0.00 O ATOM 699 CB SER A 47 -13.271 -11.825 2.439 1.00 0.00 C ATOM 700 OG SER A 47 -14.054 -12.593 1.542 1.00 0.00 O ATOM 0 H SER A 47 -12.895 -11.748 -0.009 1.00 0.00 H new ATOM 0 HA SER A 47 -11.839 -10.279 2.124 1.00 0.00 H new ATOM 0 HB2 SER A 47 -13.036 -12.429 3.315 1.00 0.00 H new ATOM 0 HB3 SER A 47 -13.857 -10.974 2.786 1.00 0.00 H new ATOM 0 HG SER A 47 -14.871 -12.891 1.994 1.00 0.00 H new ATOM 706 N ASN A 48 -10.295 -13.126 1.662 1.00 0.00 N ATOM 707 CA ASN A 48 -9.132 -13.936 2.030 1.00 0.00 C ATOM 708 C ASN A 48 -7.807 -13.210 1.777 1.00 0.00 C ATOM 709 O ASN A 48 -6.833 -13.444 2.494 1.00 0.00 O ATOM 710 CB ASN A 48 -9.097 -15.229 1.194 1.00 0.00 C ATOM 711 CG ASN A 48 -10.106 -16.306 1.575 1.00 0.00 C ATOM 712 OD1 ASN A 48 -10.849 -16.205 2.551 1.00 0.00 O ATOM 713 ND2 ASN A 48 -10.152 -17.364 0.784 1.00 0.00 N ATOM 0 H ASN A 48 -10.757 -13.458 0.816 1.00 0.00 H new ATOM 0 HA ASN A 48 -9.236 -14.144 3.095 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.256 -14.965 0.149 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.097 -15.656 1.266 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.812 -18.117 0.977 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.527 -17.427 -0.020 1.00 0.00 H new ATOM 720 N ALA A 49 -7.735 -12.386 0.729 1.00 0.00 N ATOM 721 CA ALA A 49 -6.521 -11.655 0.385 1.00 0.00 C ATOM 722 C ALA A 49 -6.442 -10.336 1.142 1.00 0.00 C ATOM 723 O ALA A 49 -5.378 -9.964 1.631 1.00 0.00 O ATOM 724 CB ALA A 49 -6.503 -11.353 -1.109 1.00 0.00 C ATOM 0 H ALA A 49 -8.517 -12.209 0.098 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.670 -12.278 0.659 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.593 -10.807 -1.359 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.531 -12.287 -1.669 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.372 -10.748 -1.368 1.00 0.00 H new ATOM 730 N VAL A 50 -7.566 -9.625 1.263 1.00 0.00 N ATOM 731 CA VAL A 50 -7.575 -8.348 1.954 1.00 0.00 C ATOM 732 C VAL A 50 -7.159 -8.528 3.425 1.00 0.00 C ATOM 733 O VAL A 50 -6.579 -7.614 4.005 1.00 0.00 O ATOM 734 CB VAL A 50 -8.929 -7.633 1.755 1.00 0.00 C ATOM 735 CG1 VAL A 50 -9.984 -8.047 2.784 1.00 0.00 C ATOM 736 CG2 VAL A 50 -8.775 -6.111 1.777 1.00 0.00 C ATOM 0 H VAL A 50 -8.471 -9.915 0.892 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.828 -7.685 1.518 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.277 -7.948 0.771 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.912 -7.510 2.590 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.163 -9.120 2.710 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.629 -7.807 3.786 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.750 -5.645 1.634 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.362 -5.801 2.737 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.104 -5.802 0.976 1.00 0.00 H new ATOM 746 N SER A 51 -7.431 -9.693 4.034 1.00 0.00 N ATOM 747 CA SER A 51 -7.076 -9.969 5.420 1.00 0.00 C ATOM 748 C SER A 51 -5.565 -10.070 5.640 1.00 0.00 C ATOM 749 O SER A 51 -5.124 -10.095 6.793 1.00 0.00 O ATOM 750 CB SER A 51 -7.806 -11.224 5.916 1.00 0.00 C ATOM 751 OG SER A 51 -7.776 -12.260 4.959 1.00 0.00 O ATOM 0 H SER A 51 -7.905 -10.468 3.570 1.00 0.00 H new ATOM 0 HA SER A 51 -7.405 -9.116 6.014 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.346 -11.570 6.841 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.841 -10.974 6.149 1.00 0.00 H new ATOM 0 HG SER A 51 -8.552 -12.180 4.366 1.00 0.00 H new ATOM 757 N GLN A 52 -4.755 -10.149 4.576 1.00 0.00 N ATOM 758 CA GLN A 52 -3.310 -10.215 4.719 1.00 0.00 C ATOM 759 C GLN A 52 -2.746 -8.838 5.098 1.00 0.00 C ATOM 760 O GLN A 52 -1.591 -8.749 5.512 1.00 0.00 O ATOM 761 CB GLN A 52 -2.654 -10.721 3.425 1.00 0.00 C ATOM 762 CG GLN A 52 -3.169 -12.077 2.918 1.00 0.00 C ATOM 763 CD GLN A 52 -3.225 -13.138 4.003 1.00 0.00 C ATOM 764 OE1 GLN A 52 -2.193 -13.562 4.533 1.00 0.00 O ATOM 765 NE2 GLN A 52 -4.421 -13.557 4.378 1.00 0.00 N ATOM 0 H GLN A 52 -5.084 -10.168 3.611 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.080 -10.920 5.518 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.807 -9.977 2.644 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.579 -10.796 3.587 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.165 -11.945 2.496 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.524 -12.425 2.111 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.256 -13.189 3.922 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.509 -14.248 5.123 1.00 0.00 H new ATOM 774 N ILE A 53 -3.537 -7.773 4.953 1.00 0.00 N ATOM 775 CA ILE A 53 -3.168 -6.402 5.259 1.00 0.00 C ATOM 776 C ILE A 53 -3.263 -6.202 6.775 1.00 0.00 C ATOM 777 O ILE A 53 -4.313 -6.430 7.378 1.00 0.00 O ATOM 778 CB ILE A 53 -4.098 -5.449 4.467 1.00 0.00 C ATOM 779 CG1 ILE A 53 -3.899 -5.654 2.943 1.00 0.00 C ATOM 780 CG2 ILE A 53 -3.845 -3.987 4.862 1.00 0.00 C ATOM 781 CD1 ILE A 53 -4.905 -4.908 2.066 1.00 0.00 C ATOM 0 H ILE A 53 -4.492 -7.853 4.604 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.144 -6.180 4.960 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.132 -5.686 4.715 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -2.893 -5.332 2.674 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.963 -6.719 2.721 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.509 -3.336 4.293 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.037 -3.860 5.927 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.809 -3.726 4.646 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.691 -5.108 1.016 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.914 -5.246 2.302 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.828 -3.837 2.254 1.00 0.00 H new ATOM 793 N THR A 54 -2.174 -5.751 7.397 1.00 0.00 N ATOM 794 CA THR A 54 -2.113 -5.489 8.828 1.00 0.00 C ATOM 795 C THR A 54 -1.326 -4.194 9.076 1.00 0.00 C ATOM 796 O THR A 54 -0.707 -3.656 8.156 1.00 0.00 O ATOM 797 CB THR A 54 -1.557 -6.736 9.542 1.00 0.00 C ATOM 798 OG1 THR A 54 -1.818 -6.674 10.930 1.00 0.00 O ATOM 799 CG2 THR A 54 -0.054 -6.948 9.328 1.00 0.00 C ATOM 0 H THR A 54 -1.299 -5.556 6.911 1.00 0.00 H new ATOM 0 HA THR A 54 -3.101 -5.316 9.253 1.00 0.00 H new ATOM 0 HB THR A 54 -2.073 -7.584 9.092 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.459 -7.475 11.366 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.266 -7.844 9.860 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.149 -7.066 8.264 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.493 -6.085 9.708 1.00 0.00 H new ATOM 807 N ARG A 55 -1.339 -3.709 10.326 1.00 0.00 N ATOM 808 CA ARG A 55 -0.667 -2.493 10.794 1.00 0.00 C ATOM 809 C ARG A 55 -0.842 -1.353 9.788 1.00 0.00 C ATOM 810 O ARG A 55 0.128 -0.857 9.218 1.00 0.00 O ATOM 811 CB ARG A 55 0.803 -2.826 11.145 1.00 0.00 C ATOM 812 CG ARG A 55 0.914 -3.359 12.580 1.00 0.00 C ATOM 813 CD ARG A 55 2.282 -3.970 12.893 1.00 0.00 C ATOM 814 NE ARG A 55 2.412 -5.318 12.313 1.00 0.00 N ATOM 815 CZ ARG A 55 3.414 -5.774 11.551 1.00 0.00 C ATOM 816 NH1 ARG A 55 4.436 -4.989 11.223 1.00 0.00 N ATOM 817 NH2 ARG A 55 3.381 -7.025 11.109 1.00 0.00 N ATOM 0 H ARG A 55 -1.846 -4.181 11.075 1.00 0.00 H new ATOM 0 HA ARG A 55 -1.128 -2.126 11.711 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.189 -3.568 10.446 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.419 -1.933 11.035 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.718 -2.546 13.279 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.142 -4.111 12.742 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.069 -3.326 12.501 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.421 -4.022 13.973 1.00 0.00 H new ATOM 0 HE ARG A 55 1.658 -5.974 12.514 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.464 -4.024 11.553 1.00 0.00 H new ATOM 0 HH12 ARG A 55 5.192 -5.352 10.642 1.00 0.00 H new ATOM 0 HH21 ARG A 55 2.597 -7.631 11.350 1.00 0.00 H new ATOM 0 HH22 ARG A 55 4.140 -7.381 10.528 1.00 0.00 H new ATOM 831 N MET A 56 -2.084 -0.943 9.537 1.00 0.00 N ATOM 832 CA MET A 56 -2.367 0.127 8.593 1.00 0.00 C ATOM 833 C MET A 56 -2.338 1.481 9.303 1.00 0.00 C ATOM 834 O MET A 56 -2.950 1.631 10.361 1.00 0.00 O ATOM 835 CB MET A 56 -3.726 -0.131 7.908 1.00 0.00 C ATOM 836 CG MET A 56 -3.993 0.856 6.768 1.00 0.00 C ATOM 837 SD MET A 56 -5.718 1.011 6.230 1.00 0.00 S ATOM 838 CE MET A 56 -5.887 -0.431 5.137 1.00 0.00 C ATOM 0 H MET A 56 -2.912 -1.341 9.979 1.00 0.00 H new ATOM 0 HA MET A 56 -1.598 0.147 7.821 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.748 -1.149 7.518 1.00 0.00 H new ATOM 0 HB3 MET A 56 -4.524 -0.055 8.647 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.641 1.840 7.077 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.392 0.558 5.909 1.00 0.00 H new ATOM 0 HE1 MET A 56 -6.893 -0.455 4.719 1.00 0.00 H new ATOM 0 HE2 MET A 56 -5.159 -0.362 4.328 1.00 0.00 H new ATOM 0 HE3 MET A 56 -5.710 -1.343 5.708 1.00 0.00 H new ATOM 848 N CYS A 57 -1.601 2.446 8.755 1.00 0.00 N ATOM 849 CA CYS A 57 -1.504 3.818 9.252 1.00 0.00 C ATOM 850 C CYS A 57 -1.774 4.791 8.102 1.00 0.00 C ATOM 851 O CYS A 57 -1.647 4.431 6.925 1.00 0.00 O ATOM 852 CB CYS A 57 -0.148 4.115 9.897 1.00 0.00 C ATOM 853 SG CYS A 57 -0.073 3.371 11.547 1.00 0.00 S ATOM 0 H CYS A 57 -1.034 2.288 7.922 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.254 3.944 10.033 1.00 0.00 H new ATOM 0 HB2 CYS A 57 0.655 3.721 9.274 1.00 0.00 H new ATOM 0 HB3 CYS A 57 0.003 5.192 9.967 1.00 0.00 H new ATOM 0 HG CYS A 57 1.082 3.626 12.086 1.00 0.00 H new ATOM 859 N LEU A 58 -2.200 6.007 8.444 1.00 0.00 N ATOM 860 CA LEU A 58 -2.484 7.091 7.506 1.00 0.00 C ATOM 861 C LEU A 58 -1.145 7.772 7.245 1.00 0.00 C ATOM 862 O LEU A 58 -0.386 8.005 8.199 1.00 0.00 O ATOM 863 CB LEU A 58 -3.461 8.113 8.127 1.00 0.00 C ATOM 864 CG LEU A 58 -4.923 7.635 8.158 1.00 0.00 C ATOM 865 CD1 LEU A 58 -5.727 8.391 9.223 1.00 0.00 C ATOM 866 CD2 LEU A 58 -5.598 7.818 6.793 1.00 0.00 C ATOM 0 H LEU A 58 -2.362 6.273 9.415 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.943 6.708 6.595 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.140 8.337 9.144 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.405 9.044 7.563 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.907 6.574 8.406 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.757 8.034 9.223 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.283 8.220 10.204 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.713 9.458 9.000 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.630 7.471 6.848 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.584 8.873 6.519 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.060 7.240 6.041 1.00 0.00 H new ATOM 878 N LEU A 59 -0.823 8.041 5.981 1.00 0.00 N ATOM 879 CA LEU A 59 0.422 8.705 5.612 1.00 0.00 C ATOM 880 C LEU A 59 0.309 10.182 5.979 1.00 0.00 C ATOM 881 O LEU A 59 -0.784 10.758 6.002 1.00 0.00 O ATOM 882 CB LEU A 59 0.711 8.543 4.105 1.00 0.00 C ATOM 883 CG LEU A 59 1.162 7.116 3.732 1.00 0.00 C ATOM 884 CD1 LEU A 59 1.088 6.851 2.224 1.00 0.00 C ATOM 885 CD2 LEU A 59 2.608 6.874 4.183 1.00 0.00 C ATOM 0 H LEU A 59 -1.418 7.805 5.187 1.00 0.00 H new ATOM 0 HA LEU A 59 1.251 8.249 6.153 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.186 8.795 3.539 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.484 9.252 3.810 1.00 0.00 H new ATOM 0 HG LEU A 59 0.477 6.439 4.242 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.416 5.832 2.017 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.061 6.978 1.882 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.734 7.554 1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.909 5.862 3.912 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.267 7.592 3.694 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.677 6.995 5.264 1.00 0.00 H new ATOM 897 N LYS A 60 1.456 10.814 6.242 1.00 0.00 N ATOM 898 CA LYS A 60 1.525 12.228 6.606 1.00 0.00 C ATOM 899 C LYS A 60 0.807 13.067 5.561 1.00 0.00 C ATOM 900 O LYS A 60 1.187 13.025 4.391 1.00 0.00 O ATOM 901 CB LYS A 60 2.984 12.685 6.708 1.00 0.00 C ATOM 902 CG LYS A 60 3.582 12.428 8.093 1.00 0.00 C ATOM 903 CD LYS A 60 5.110 12.562 8.120 1.00 0.00 C ATOM 904 CE LYS A 60 5.645 13.951 7.746 1.00 0.00 C ATOM 905 NZ LYS A 60 5.699 14.192 6.285 1.00 0.00 N ATOM 0 H LYS A 60 2.366 10.355 6.208 1.00 0.00 H new ATOM 0 HA LYS A 60 1.043 12.359 7.575 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.578 12.164 5.957 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.045 13.749 6.481 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.149 13.130 8.806 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.305 11.427 8.422 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.464 12.309 9.119 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.536 11.828 7.436 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.014 14.711 8.208 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.645 14.070 8.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.588 14.676 6.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.654 13.283 5.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.894 14.786 6.001 1.00 0.00 H new ATOM 919 N GLY A 61 -0.176 13.851 6.000 1.00 0.00 N ATOM 920 CA GLY A 61 -0.962 14.723 5.146 1.00 0.00 C ATOM 921 C GLY A 61 -2.303 14.125 4.751 1.00 0.00 C ATOM 922 O GLY A 61 -3.012 14.780 3.984 1.00 0.00 O ATOM 0 H GLY A 61 -0.450 13.895 6.982 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.131 15.669 5.661 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.392 14.948 4.244 1.00 0.00 H new ATOM 926 N ASN A 62 -2.676 12.947 5.271 1.00 0.00 N ATOM 927 CA ASN A 62 -3.933 12.250 4.970 1.00 0.00 C ATOM 928 C ASN A 62 -4.092 12.016 3.463 1.00 0.00 C ATOM 929 O ASN A 62 -5.209 11.932 2.957 1.00 0.00 O ATOM 930 CB ASN A 62 -5.145 12.961 5.618 1.00 0.00 C ATOM 931 CG ASN A 62 -5.228 12.663 7.108 1.00 0.00 C ATOM 932 OD1 ASN A 62 -5.159 11.508 7.504 1.00 0.00 O ATOM 933 ND2 ASN A 62 -5.336 13.667 7.962 1.00 0.00 N ATOM 0 H ASN A 62 -2.092 12.437 5.934 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.894 11.260 5.425 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.063 14.037 5.464 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -6.064 12.638 5.128 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.363 13.483 8.965 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.393 14.625 7.618 1.00 0.00 H new ATOM 940 N MET A 63 -2.963 11.860 2.765 1.00 0.00 N ATOM 941 CA MET A 63 -2.855 11.650 1.327 1.00 0.00 C ATOM 942 C MET A 63 -2.681 10.187 0.899 1.00 0.00 C ATOM 943 O MET A 63 -2.425 9.948 -0.281 1.00 0.00 O ATOM 944 CB MET A 63 -1.672 12.498 0.836 1.00 0.00 C ATOM 945 CG MET A 63 -2.012 13.992 0.808 1.00 0.00 C ATOM 946 SD MET A 63 -2.075 14.759 -0.836 1.00 0.00 S ATOM 947 CE MET A 63 -3.190 13.637 -1.728 1.00 0.00 C ATOM 0 H MET A 63 -2.050 11.879 3.219 1.00 0.00 H new ATOM 0 HA MET A 63 -3.800 11.950 0.874 1.00 0.00 H new ATOM 0 HB2 MET A 63 -0.813 12.333 1.486 1.00 0.00 H new ATOM 0 HB3 MET A 63 -1.382 12.173 -0.163 1.00 0.00 H new ATOM 0 HG2 MET A 63 -2.979 14.134 1.291 1.00 0.00 H new ATOM 0 HG3 MET A 63 -1.274 14.524 1.408 1.00 0.00 H new ATOM 0 HE1 MET A 63 -3.640 14.164 -2.569 1.00 0.00 H new ATOM 0 HE2 MET A 63 -2.626 12.780 -2.096 1.00 0.00 H new ATOM 0 HE3 MET A 63 -3.975 13.292 -1.054 1.00 0.00 H new ATOM 957 N GLY A 64 -2.741 9.205 1.797 1.00 0.00 N ATOM 958 CA GLY A 64 -2.587 7.814 1.403 1.00 0.00 C ATOM 959 C GLY A 64 -2.450 6.890 2.600 1.00 0.00 C ATOM 960 O GLY A 64 -2.499 7.342 3.750 1.00 0.00 O ATOM 0 H GLY A 64 -2.894 9.350 2.795 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.448 7.509 0.808 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.708 7.714 0.766 1.00 0.00 H new ATOM 964 N VAL A 65 -2.262 5.594 2.342 1.00 0.00 N ATOM 965 CA VAL A 65 -2.145 4.597 3.398 1.00 0.00 C ATOM 966 C VAL A 65 -0.912 3.717 3.224 1.00 0.00 C ATOM 967 O VAL A 65 -0.508 3.372 2.111 1.00 0.00 O ATOM 968 CB VAL A 65 -3.442 3.754 3.489 1.00 0.00 C ATOM 969 CG1 VAL A 65 -4.694 4.623 3.677 1.00 0.00 C ATOM 970 CG2 VAL A 65 -3.721 2.836 2.288 1.00 0.00 C ATOM 0 H VAL A 65 -2.187 5.212 1.399 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.013 5.126 4.342 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.248 3.130 4.362 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.575 3.984 3.735 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.602 5.199 4.598 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.795 5.304 2.832 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.651 2.292 2.454 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.809 3.437 1.383 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.901 2.127 2.174 1.00 0.00 H new ATOM 980 N CYS A 66 -0.346 3.289 4.345 1.00 0.00 N ATOM 981 CA CYS A 66 0.814 2.420 4.432 1.00 0.00 C ATOM 982 C CYS A 66 0.390 1.245 5.309 1.00 0.00 C ATOM 983 O CYS A 66 -0.368 1.440 6.266 1.00 0.00 O ATOM 984 CB CYS A 66 2.026 3.185 4.980 1.00 0.00 C ATOM 985 SG CYS A 66 1.606 4.284 6.366 1.00 0.00 S ATOM 0 H CYS A 66 -0.704 3.554 5.263 1.00 0.00 H new ATOM 0 HA CYS A 66 1.135 2.054 3.457 1.00 0.00 H new ATOM 0 HB2 CYS A 66 2.782 2.471 5.306 1.00 0.00 H new ATOM 0 HB3 CYS A 66 2.470 3.775 4.178 1.00 0.00 H new ATOM 0 HG CYS A 66 0.350 4.139 6.670 1.00 0.00 H new ATOM 991 N PHE A 67 0.799 0.028 4.949 1.00 0.00 N ATOM 992 CA PHE A 67 0.462 -1.179 5.692 1.00 0.00 C ATOM 993 C PHE A 67 1.477 -2.282 5.401 1.00 0.00 C ATOM 994 O PHE A 67 2.313 -2.146 4.507 1.00 0.00 O ATOM 995 CB PHE A 67 -0.979 -1.614 5.376 1.00 0.00 C ATOM 996 CG PHE A 67 -1.350 -1.756 3.910 1.00 0.00 C ATOM 997 CD1 PHE A 67 -0.824 -2.817 3.148 1.00 0.00 C ATOM 998 CD2 PHE A 67 -2.313 -0.900 3.337 1.00 0.00 C ATOM 999 CE1 PHE A 67 -1.263 -3.026 1.831 1.00 0.00 C ATOM 1000 CE2 PHE A 67 -2.753 -1.110 2.019 1.00 0.00 C ATOM 1001 CZ PHE A 67 -2.224 -2.174 1.269 1.00 0.00 C ATOM 0 H PHE A 67 1.378 -0.145 4.127 1.00 0.00 H new ATOM 0 HA PHE A 67 0.510 -0.971 6.761 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.159 -2.571 5.865 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.658 -0.892 5.829 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -0.081 -3.472 3.578 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.714 -0.080 3.914 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -0.860 -3.843 1.251 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.495 -0.456 1.584 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.559 -2.336 0.255 1.00 0.00 H new ATOM 1011 N ASP A 68 1.386 -3.388 6.134 1.00 0.00 N ATOM 1012 CA ASP A 68 2.267 -4.545 6.024 1.00 0.00 C ATOM 1013 C ASP A 68 1.490 -5.731 5.446 1.00 0.00 C ATOM 1014 O ASP A 68 0.328 -5.929 5.807 1.00 0.00 O ATOM 1015 CB ASP A 68 2.826 -4.864 7.423 1.00 0.00 C ATOM 1016 CG ASP A 68 3.856 -3.829 7.890 1.00 0.00 C ATOM 1017 OD1 ASP A 68 4.909 -3.690 7.231 1.00 0.00 O ATOM 1018 OD2 ASP A 68 3.667 -3.165 8.933 1.00 0.00 O ATOM 0 H ASP A 68 0.668 -3.507 6.849 1.00 0.00 H new ATOM 0 HA ASP A 68 3.098 -4.336 5.351 1.00 0.00 H new ATOM 0 HB2 ASP A 68 2.005 -4.904 8.139 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.287 -5.852 7.411 1.00 0.00 H new ATOM 1023 N VAL A 69 2.119 -6.502 4.549 1.00 0.00 N ATOM 1024 CA VAL A 69 1.577 -7.690 3.871 1.00 0.00 C ATOM 1025 C VAL A 69 2.707 -8.721 3.673 1.00 0.00 C ATOM 1026 O VAL A 69 3.880 -8.337 3.623 1.00 0.00 O ATOM 1027 CB VAL A 69 0.934 -7.335 2.507 1.00 0.00 C ATOM 1028 CG1 VAL A 69 -0.431 -6.664 2.657 1.00 0.00 C ATOM 1029 CG2 VAL A 69 1.814 -6.443 1.622 1.00 0.00 C ATOM 0 H VAL A 69 3.076 -6.302 4.259 1.00 0.00 H new ATOM 0 HA VAL A 69 0.792 -8.112 4.498 1.00 0.00 H new ATOM 0 HB VAL A 69 0.817 -8.301 2.016 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.835 -6.437 1.670 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.111 -7.335 3.182 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.322 -5.740 3.225 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.297 -6.237 0.685 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.016 -5.505 2.138 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.755 -6.952 1.413 1.00 0.00 H new ATOM 1039 N PRO A 70 2.408 -10.025 3.572 1.00 0.00 N ATOM 1040 CA PRO A 70 3.440 -11.032 3.375 1.00 0.00 C ATOM 1041 C PRO A 70 3.944 -10.972 1.931 1.00 0.00 C ATOM 1042 O PRO A 70 3.210 -10.574 1.018 1.00 0.00 O ATOM 1043 CB PRO A 70 2.762 -12.359 3.699 1.00 0.00 C ATOM 1044 CG PRO A 70 1.310 -12.119 3.291 1.00 0.00 C ATOM 1045 CD PRO A 70 1.094 -10.642 3.620 1.00 0.00 C ATOM 0 HA PRO A 70 4.315 -10.884 4.007 1.00 0.00 H new ATOM 0 HB2 PRO A 70 3.206 -13.184 3.142 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.847 -12.607 4.757 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.150 -12.323 2.232 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.625 -12.760 3.846 1.00 0.00 H new ATOM 0 HD2 PRO A 70 0.418 -10.177 2.902 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.643 -10.524 4.605 1.00 0.00 H new ATOM 1053 N THR A 71 5.176 -11.427 1.709 1.00 0.00 N ATOM 1054 CA THR A 71 5.826 -11.438 0.400 1.00 0.00 C ATOM 1055 C THR A 71 5.149 -12.395 -0.605 1.00 0.00 C ATOM 1056 O THR A 71 5.492 -12.406 -1.787 1.00 0.00 O ATOM 1057 CB THR A 71 7.342 -11.709 0.567 1.00 0.00 C ATOM 1058 OG1 THR A 71 7.746 -11.682 1.931 1.00 0.00 O ATOM 1059 CG2 THR A 71 8.148 -10.610 -0.129 1.00 0.00 C ATOM 0 H THR A 71 5.763 -11.807 2.451 1.00 0.00 H new ATOM 0 HA THR A 71 5.706 -10.449 -0.043 1.00 0.00 H new ATOM 0 HB THR A 71 7.524 -12.695 0.139 1.00 0.00 H new ATOM 0 HG1 THR A 71 7.549 -12.547 2.348 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.213 -10.807 -0.007 1.00 0.00 H new ATOM 0 HG22 THR A 71 7.901 -10.594 -1.190 1.00 0.00 H new ATOM 0 HG23 THR A 71 7.905 -9.644 0.314 1.00 0.00 H new ATOM 1067 N THR A 72 4.210 -13.226 -0.152 1.00 0.00 N ATOM 1068 CA THR A 72 3.463 -14.163 -0.974 1.00 0.00 C ATOM 1069 C THR A 72 2.333 -13.395 -1.670 1.00 0.00 C ATOM 1070 O THR A 72 2.259 -13.338 -2.900 1.00 0.00 O ATOM 1071 CB THR A 72 2.875 -15.268 -0.067 1.00 0.00 C ATOM 1072 OG1 THR A 72 2.430 -14.697 1.154 1.00 0.00 O ATOM 1073 CG2 THR A 72 3.900 -16.349 0.262 1.00 0.00 C ATOM 0 H THR A 72 3.944 -13.262 0.832 1.00 0.00 H new ATOM 0 HA THR A 72 4.109 -14.624 -1.722 1.00 0.00 H new ATOM 0 HB THR A 72 2.050 -15.724 -0.613 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.056 -15.399 1.726 1.00 0.00 H new ATOM 0 HG21 THR A 72 3.441 -17.103 0.901 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.245 -16.816 -0.660 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.748 -15.901 0.781 1.00 0.00 H new ATOM 1081 N GLU A 73 1.454 -12.780 -0.878 1.00 0.00 N ATOM 1082 CA GLU A 73 0.309 -12.032 -1.366 1.00 0.00 C ATOM 1083 C GLU A 73 0.726 -10.754 -2.096 1.00 0.00 C ATOM 1084 O GLU A 73 0.005 -10.320 -2.993 1.00 0.00 O ATOM 1085 CB GLU A 73 -0.655 -11.737 -0.199 1.00 0.00 C ATOM 1086 CG GLU A 73 -2.128 -11.739 -0.643 1.00 0.00 C ATOM 1087 CD GLU A 73 -2.680 -13.165 -0.804 1.00 0.00 C ATOM 1088 OE1 GLU A 73 -2.340 -13.853 -1.795 1.00 0.00 O ATOM 1089 OE2 GLU A 73 -3.480 -13.636 0.034 1.00 0.00 O ATOM 0 H GLU A 73 1.525 -12.792 0.139 1.00 0.00 H new ATOM 0 HA GLU A 73 -0.212 -12.644 -2.102 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.513 -12.482 0.584 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.410 -10.768 0.235 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.728 -11.199 0.089 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -2.222 -11.205 -1.589 1.00 0.00 H new ATOM 1096 N SER A 74 1.886 -10.162 -1.787 1.00 0.00 N ATOM 1097 CA SER A 74 2.318 -8.937 -2.452 1.00 0.00 C ATOM 1098 C SER A 74 2.448 -9.124 -3.971 1.00 0.00 C ATOM 1099 O SER A 74 2.145 -8.204 -4.731 1.00 0.00 O ATOM 1100 CB SER A 74 3.612 -8.427 -1.816 1.00 0.00 C ATOM 1101 OG SER A 74 4.668 -9.347 -1.974 1.00 0.00 O ATOM 0 H SER A 74 2.536 -10.513 -1.084 1.00 0.00 H new ATOM 0 HA SER A 74 1.550 -8.177 -2.310 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.889 -7.474 -2.268 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.447 -8.241 -0.755 1.00 0.00 H new ATOM 0 HG SER A 74 5.519 -8.864 -2.017 1.00 0.00 H new ATOM 1107 N GLU A 75 2.870 -10.304 -4.438 1.00 0.00 N ATOM 1108 CA GLU A 75 3.021 -10.604 -5.865 1.00 0.00 C ATOM 1109 C GLU A 75 1.653 -10.773 -6.543 1.00 0.00 C ATOM 1110 O GLU A 75 1.543 -10.635 -7.767 1.00 0.00 O ATOM 1111 CB GLU A 75 3.886 -11.860 -6.057 1.00 0.00 C ATOM 1112 CG GLU A 75 5.333 -11.615 -5.595 1.00 0.00 C ATOM 1113 CD GLU A 75 6.293 -12.776 -5.882 1.00 0.00 C ATOM 1114 OE1 GLU A 75 5.977 -13.669 -6.695 1.00 0.00 O ATOM 1115 OE2 GLU A 75 7.420 -12.751 -5.332 1.00 0.00 O ATOM 0 H GLU A 75 3.118 -11.084 -3.830 1.00 0.00 H new ATOM 0 HA GLU A 75 3.523 -9.761 -6.340 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.457 -12.689 -5.494 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.881 -12.151 -7.107 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.711 -10.717 -6.084 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.331 -11.417 -4.523 1.00 0.00 H new ATOM 1122 N ARG A 76 0.611 -11.093 -5.768 1.00 0.00 N ATOM 1123 CA ARG A 76 -0.758 -11.272 -6.248 1.00 0.00 C ATOM 1124 C ARG A 76 -1.409 -9.896 -6.344 1.00 0.00 C ATOM 1125 O ARG A 76 -2.022 -9.567 -7.359 1.00 0.00 O ATOM 1126 CB ARG A 76 -1.568 -12.168 -5.289 1.00 0.00 C ATOM 1127 CG ARG A 76 -0.997 -13.580 -5.064 1.00 0.00 C ATOM 1128 CD ARG A 76 -1.679 -14.672 -5.893 1.00 0.00 C ATOM 1129 NE ARG A 76 -1.256 -14.652 -7.303 1.00 0.00 N ATOM 1130 CZ ARG A 76 -2.007 -14.983 -8.359 1.00 0.00 C ATOM 1131 NH1 ARG A 76 -3.276 -15.345 -8.196 1.00 0.00 N ATOM 1132 NH2 ARG A 76 -1.484 -14.968 -9.581 1.00 0.00 N ATOM 0 H ARG A 76 0.702 -11.238 -4.762 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.741 -11.759 -7.223 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.641 -11.666 -4.324 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.582 -12.262 -5.677 1.00 0.00 H new ATOM 0 HG2 ARG A 76 0.067 -13.571 -5.300 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.087 -13.832 -4.007 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.452 -15.647 -5.462 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.760 -14.544 -5.839 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.298 -14.357 -7.493 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.683 -15.372 -7.261 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.843 -15.596 -9.006 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.508 -14.704 -9.715 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.059 -15.221 -10.385 1.00 0.00 H new ATOM 1146 N LEU A 77 -1.247 -9.097 -5.288 1.00 0.00 N ATOM 1147 CA LEU A 77 -1.759 -7.748 -5.081 1.00 0.00 C ATOM 1148 C LEU A 77 -1.313 -6.838 -6.208 1.00 0.00 C ATOM 1149 O LEU A 77 -2.138 -6.127 -6.773 1.00 0.00 O ATOM 1150 CB LEU A 77 -1.281 -7.222 -3.709 1.00 0.00 C ATOM 1151 CG LEU A 77 -2.139 -7.772 -2.552 1.00 0.00 C ATOM 1152 CD1 LEU A 77 -1.426 -7.757 -1.199 1.00 0.00 C ATOM 1153 CD2 LEU A 77 -3.417 -6.948 -2.414 1.00 0.00 C ATOM 0 H LEU A 77 -0.703 -9.410 -4.484 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.849 -7.766 -5.084 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.240 -7.504 -3.555 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.320 -6.133 -3.704 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.352 -8.810 -2.809 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.090 -8.158 -0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.526 -8.369 -1.255 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.153 -6.733 -0.943 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.018 -7.343 -1.595 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.160 -5.909 -2.208 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.987 -7.003 -3.341 1.00 0.00 H new ATOM 1165 N GLN A 78 -0.030 -6.908 -6.571 1.00 0.00 N ATOM 1166 CA GLN A 78 0.556 -6.114 -7.646 1.00 0.00 C ATOM 1167 C GLN A 78 -0.198 -6.267 -8.968 1.00 0.00 C ATOM 1168 O GLN A 78 -0.140 -5.351 -9.790 1.00 0.00 O ATOM 1169 CB GLN A 78 2.019 -6.544 -7.827 1.00 0.00 C ATOM 1170 CG GLN A 78 2.910 -5.773 -6.857 1.00 0.00 C ATOM 1171 CD GLN A 78 4.326 -6.331 -6.803 1.00 0.00 C ATOM 1172 OE1 GLN A 78 5.170 -6.037 -7.646 1.00 0.00 O ATOM 1173 NE2 GLN A 78 4.630 -7.168 -5.830 1.00 0.00 N ATOM 0 H GLN A 78 0.639 -7.529 -6.117 1.00 0.00 H new ATOM 0 HA GLN A 78 0.490 -5.062 -7.367 1.00 0.00 H new ATOM 0 HB2 GLN A 78 2.117 -7.615 -7.651 1.00 0.00 H new ATOM 0 HB3 GLN A 78 2.337 -6.359 -8.853 1.00 0.00 H new ATOM 0 HG2 GLN A 78 2.946 -4.725 -7.155 1.00 0.00 H new ATOM 0 HG3 GLN A 78 2.471 -5.806 -5.860 1.00 0.00 H new ATOM 0 HE21 GLN A 78 3.930 -7.412 -5.130 1.00 0.00 H new ATOM 0 HE22 GLN A 78 5.566 -7.571 -5.778 1.00 0.00 H new ATOM 1182 N ALA A 79 -0.851 -7.417 -9.187 1.00 0.00 N ATOM 1183 CA ALA A 79 -1.608 -7.680 -10.403 1.00 0.00 C ATOM 1184 C ALA A 79 -3.106 -7.431 -10.210 1.00 0.00 C ATOM 1185 O ALA A 79 -3.753 -6.915 -11.118 1.00 0.00 O ATOM 1186 CB ALA A 79 -1.353 -9.115 -10.859 1.00 0.00 C ATOM 0 H ALA A 79 -0.865 -8.188 -8.520 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.269 -6.987 -11.173 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.919 -9.314 -11.769 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.290 -9.251 -11.056 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.668 -9.807 -10.078 1.00 0.00 H new ATOM 1192 N GLU A 80 -3.665 -7.784 -9.049 1.00 0.00 N ATOM 1193 CA GLU A 80 -5.088 -7.606 -8.753 1.00 0.00 C ATOM 1194 C GLU A 80 -5.475 -6.122 -8.685 1.00 0.00 C ATOM 1195 O GLU A 80 -6.661 -5.793 -8.772 1.00 0.00 O ATOM 1196 CB GLU A 80 -5.453 -8.345 -7.452 1.00 0.00 C ATOM 1197 CG GLU A 80 -5.440 -9.877 -7.638 1.00 0.00 C ATOM 1198 CD GLU A 80 -5.825 -10.670 -6.379 1.00 0.00 C ATOM 1199 OE1 GLU A 80 -5.864 -10.104 -5.266 1.00 0.00 O ATOM 1200 OE2 GLU A 80 -6.079 -11.895 -6.486 1.00 0.00 O ATOM 0 H GLU A 80 -3.138 -8.204 -8.283 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.663 -8.041 -9.571 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.749 -8.068 -6.667 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.441 -8.028 -7.119 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.127 -10.139 -8.443 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.444 -10.184 -7.956 1.00 0.00 H new ATOM 1207 N TRP A 81 -4.505 -5.218 -8.534 1.00 0.00 N ATOM 1208 CA TRP A 81 -4.752 -3.791 -8.470 1.00 0.00 C ATOM 1209 C TRP A 81 -5.007 -3.253 -9.883 1.00 0.00 C ATOM 1210 O TRP A 81 -4.072 -2.980 -10.645 1.00 0.00 O ATOM 1211 CB TRP A 81 -3.610 -3.085 -7.730 1.00 0.00 C ATOM 1212 CG TRP A 81 -4.080 -1.840 -7.049 1.00 0.00 C ATOM 1213 CD1 TRP A 81 -3.712 -0.576 -7.341 1.00 0.00 C ATOM 1214 CD2 TRP A 81 -5.070 -1.735 -5.987 1.00 0.00 C ATOM 1215 NE1 TRP A 81 -4.441 0.306 -6.568 1.00 0.00 N ATOM 1216 CE2 TRP A 81 -5.309 -0.356 -5.720 1.00 0.00 C ATOM 1217 CE3 TRP A 81 -5.807 -2.678 -5.241 1.00 0.00 C ATOM 1218 CZ2 TRP A 81 -6.260 0.059 -4.773 1.00 0.00 C ATOM 1219 CZ3 TRP A 81 -6.754 -2.272 -4.286 1.00 0.00 C ATOM 1220 CH2 TRP A 81 -6.986 -0.906 -4.054 1.00 0.00 C ATOM 0 H TRP A 81 -3.519 -5.467 -8.453 1.00 0.00 H new ATOM 0 HA TRP A 81 -5.651 -3.583 -7.890 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -3.180 -3.763 -6.993 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -2.817 -2.837 -8.436 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -2.963 -0.297 -8.067 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -4.350 1.321 -6.617 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -5.640 -3.732 -5.407 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -6.432 1.111 -4.599 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -7.306 -3.013 -3.728 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -7.721 -0.598 -3.325 1.00 0.00 H new ATOM 1231 N HIS A 82 -6.282 -3.113 -10.245 1.00 0.00 N ATOM 1232 CA HIS A 82 -6.720 -2.630 -11.543 1.00 0.00 C ATOM 1233 C HIS A 82 -8.020 -1.842 -11.419 1.00 0.00 C ATOM 1234 O HIS A 82 -8.756 -1.971 -10.438 1.00 0.00 O ATOM 1235 CB HIS A 82 -6.937 -3.837 -12.479 1.00 0.00 C ATOM 1236 CG HIS A 82 -6.018 -3.837 -13.666 1.00 0.00 C ATOM 1237 ND1 HIS A 82 -4.645 -3.774 -13.619 1.00 0.00 N ATOM 1238 CD2 HIS A 82 -6.400 -3.891 -14.978 1.00 0.00 C ATOM 1239 CE1 HIS A 82 -4.203 -3.793 -14.889 1.00 0.00 C ATOM 1240 NE2 HIS A 82 -5.234 -3.877 -15.755 1.00 0.00 N ATOM 0 H HIS A 82 -7.056 -3.341 -9.621 1.00 0.00 H new ATOM 0 HA HIS A 82 -5.955 -1.968 -11.950 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -6.791 -4.758 -11.914 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -7.970 -3.838 -12.827 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -4.070 -3.723 -12.778 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -7.414 -3.936 -15.347 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -3.163 -3.747 -15.177 1.00 0.00 H new ATOM 1248 N ASP A 83 -8.313 -1.058 -12.455 1.00 0.00 N ATOM 1249 CA ASP A 83 -9.495 -0.215 -12.625 1.00 0.00 C ATOM 1250 C ASP A 83 -9.833 0.637 -11.382 1.00 0.00 C ATOM 1251 O ASP A 83 -11.009 0.754 -11.027 1.00 0.00 O ATOM 1252 CB ASP A 83 -10.681 -1.072 -13.140 1.00 0.00 C ATOM 1253 CG ASP A 83 -10.593 -1.529 -14.598 1.00 0.00 C ATOM 1254 OD1 ASP A 83 -9.484 -1.799 -15.117 1.00 0.00 O ATOM 1255 OD2 ASP A 83 -11.647 -1.635 -15.256 1.00 0.00 O ATOM 0 H ASP A 83 -7.685 -0.991 -13.256 1.00 0.00 H new ATOM 0 HA ASP A 83 -9.269 0.531 -13.386 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -10.767 -1.955 -12.507 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.600 -0.499 -13.014 1.00 0.00 H new ATOM 1260 N SER A 84 -8.840 1.170 -10.659 1.00 0.00 N ATOM 1261 CA SER A 84 -9.010 2.020 -9.492 1.00 0.00 C ATOM 1262 C SER A 84 -8.154 3.260 -9.768 1.00 0.00 C ATOM 1263 O SER A 84 -7.308 3.255 -10.666 1.00 0.00 O ATOM 1264 CB SER A 84 -8.638 1.268 -8.202 1.00 0.00 C ATOM 1265 OG SER A 84 -9.757 1.218 -7.333 1.00 0.00 O ATOM 0 H SER A 84 -7.859 1.009 -10.887 1.00 0.00 H new ATOM 0 HA SER A 84 -10.046 2.318 -9.329 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.308 0.257 -8.442 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.804 1.767 -7.707 1.00 0.00 H new ATOM 0 HG SER A 84 -9.846 2.074 -6.865 1.00 0.00 H new ATOM 1271 N ASP A 85 -8.330 4.320 -8.988 1.00 0.00 N ATOM 1272 CA ASP A 85 -7.583 5.562 -9.208 1.00 0.00 C ATOM 1273 C ASP A 85 -6.341 5.699 -8.338 1.00 0.00 C ATOM 1274 O ASP A 85 -5.540 6.601 -8.577 1.00 0.00 O ATOM 1275 CB ASP A 85 -8.479 6.777 -8.897 1.00 0.00 C ATOM 1276 CG ASP A 85 -9.819 6.798 -9.622 1.00 0.00 C ATOM 1277 OD1 ASP A 85 -9.903 6.369 -10.798 1.00 0.00 O ATOM 1278 OD2 ASP A 85 -10.821 7.195 -8.990 1.00 0.00 O ATOM 0 H ASP A 85 -8.978 4.349 -8.201 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.272 5.527 -10.252 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -8.665 6.806 -7.823 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.933 7.685 -9.151 1.00 0.00 H new ATOM 1283 N TRP A 86 -6.177 4.841 -7.333 1.00 0.00 N ATOM 1284 CA TRP A 86 -5.060 4.929 -6.395 1.00 0.00 C ATOM 1285 C TRP A 86 -3.833 4.155 -6.882 1.00 0.00 C ATOM 1286 O TRP A 86 -3.955 2.995 -7.281 1.00 0.00 O ATOM 1287 CB TRP A 86 -5.530 4.459 -5.013 1.00 0.00 C ATOM 1288 CG TRP A 86 -6.687 5.176 -4.348 1.00 0.00 C ATOM 1289 CD1 TRP A 86 -7.909 5.427 -4.880 1.00 0.00 C ATOM 1290 CD2 TRP A 86 -6.837 5.493 -2.931 1.00 0.00 C ATOM 1291 NE1 TRP A 86 -8.773 5.897 -3.914 1.00 0.00 N ATOM 1292 CE2 TRP A 86 -8.189 5.871 -2.672 1.00 0.00 C ATOM 1293 CE3 TRP A 86 -5.982 5.413 -1.815 1.00 0.00 C ATOM 1294 CZ2 TRP A 86 -8.675 6.117 -1.379 1.00 0.00 C ATOM 1295 CZ3 TRP A 86 -6.470 5.582 -0.509 1.00 0.00 C ATOM 1296 CH2 TRP A 86 -7.810 5.943 -0.289 1.00 0.00 C ATOM 0 H TRP A 86 -6.814 4.066 -7.146 1.00 0.00 H new ATOM 0 HA TRP A 86 -4.739 5.968 -6.325 1.00 0.00 H new ATOM 0 HB2 TRP A 86 -5.800 3.406 -5.098 1.00 0.00 H new ATOM 0 HB3 TRP A 86 -4.676 4.516 -4.338 1.00 0.00 H new ATOM 0 HD1 TRP A 86 -8.169 5.279 -5.918 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -9.722 6.222 -4.098 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -4.931 5.218 -1.966 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -9.696 6.434 -1.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -5.810 5.433 0.333 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -8.173 6.086 0.718 1.00 0.00 H new ATOM 1307 N ILE A 87 -2.654 4.785 -6.845 1.00 0.00 N ATOM 1308 CA ILE A 87 -1.389 4.196 -7.279 1.00 0.00 C ATOM 1309 C ILE A 87 -0.852 3.301 -6.160 1.00 0.00 C ATOM 1310 O ILE A 87 -0.799 3.721 -5.002 1.00 0.00 O ATOM 1311 CB ILE A 87 -0.348 5.290 -7.639 1.00 0.00 C ATOM 1312 CG1 ILE A 87 -0.866 6.374 -8.617 1.00 0.00 C ATOM 1313 CG2 ILE A 87 0.898 4.634 -8.272 1.00 0.00 C ATOM 1314 CD1 ILE A 87 -1.620 7.517 -7.924 1.00 0.00 C ATOM 0 H ILE A 87 -2.554 5.741 -6.504 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.565 3.606 -8.178 1.00 0.00 H new ATOM 0 HB ILE A 87 -0.118 5.790 -6.698 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.021 6.788 -9.167 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.525 5.906 -9.349 1.00 0.00 H new ATOM 0 HG21 ILE A 87 1.627 5.405 -8.524 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.340 3.934 -7.563 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.608 4.100 -9.177 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.953 8.238 -8.670 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.485 7.115 -7.396 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.958 8.011 -7.212 1.00 0.00 H new ATOM 1326 N LEU A 88 -0.401 2.092 -6.511 1.00 0.00 N ATOM 1327 CA LEU A 88 0.156 1.092 -5.602 1.00 0.00 C ATOM 1328 C LEU A 88 1.678 1.118 -5.717 1.00 0.00 C ATOM 1329 O LEU A 88 2.204 1.181 -6.829 1.00 0.00 O ATOM 1330 CB LEU A 88 -0.403 -0.283 -6.014 1.00 0.00 C ATOM 1331 CG LEU A 88 0.131 -1.484 -5.216 1.00 0.00 C ATOM 1332 CD1 LEU A 88 -0.159 -1.311 -3.730 1.00 0.00 C ATOM 1333 CD2 LEU A 88 -0.511 -2.784 -5.707 1.00 0.00 C ATOM 0 H LEU A 88 -0.416 1.773 -7.480 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.116 1.297 -4.567 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.488 -0.258 -5.916 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.182 -0.444 -7.069 1.00 0.00 H new ATOM 0 HG LEU A 88 1.209 -1.535 -5.369 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.226 -2.171 -3.182 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.324 -0.403 -3.368 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.235 -1.235 -3.576 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.121 -3.623 -5.131 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.592 -2.727 -5.579 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.278 -2.929 -6.762 1.00 0.00 H new ATOM 1345 N SER A 89 2.395 1.083 -4.588 1.00 0.00 N ATOM 1346 CA SER A 89 3.858 1.096 -4.547 1.00 0.00 C ATOM 1347 C SER A 89 4.388 0.119 -3.494 1.00 0.00 C ATOM 1348 O SER A 89 3.697 -0.158 -2.514 1.00 0.00 O ATOM 1349 CB SER A 89 4.347 2.507 -4.218 1.00 0.00 C ATOM 1350 OG SER A 89 3.829 3.472 -5.119 1.00 0.00 O ATOM 0 H SER A 89 1.966 1.044 -3.663 1.00 0.00 H new ATOM 0 HA SER A 89 4.231 0.788 -5.524 1.00 0.00 H new ATOM 0 HB2 SER A 89 4.052 2.765 -3.201 1.00 0.00 H new ATOM 0 HB3 SER A 89 5.436 2.530 -4.249 1.00 0.00 H new ATOM 0 HG SER A 89 4.163 4.360 -4.875 1.00 0.00 H new ATOM 1356 N VAL A 90 5.613 -0.382 -3.686 1.00 0.00 N ATOM 1357 CA VAL A 90 6.277 -1.306 -2.772 1.00 0.00 C ATOM 1358 C VAL A 90 7.764 -0.919 -2.591 1.00 0.00 C ATOM 1359 O VAL A 90 8.636 -1.425 -3.308 1.00 0.00 O ATOM 1360 CB VAL A 90 6.007 -2.774 -3.187 1.00 0.00 C ATOM 1361 CG1 VAL A 90 6.513 -3.220 -4.568 1.00 0.00 C ATOM 1362 CG2 VAL A 90 6.507 -3.746 -2.115 1.00 0.00 C ATOM 0 H VAL A 90 6.180 -0.148 -4.501 1.00 0.00 H new ATOM 0 HA VAL A 90 5.850 -1.223 -1.772 1.00 0.00 H new ATOM 0 HB VAL A 90 4.921 -2.803 -3.278 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.257 -4.267 -4.729 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.046 -2.610 -5.341 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.595 -3.100 -4.615 1.00 0.00 H new ATOM 0 HG21 VAL A 90 6.306 -4.770 -2.430 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.580 -3.613 -1.976 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.992 -3.548 -1.175 1.00 0.00 H new ATOM 1372 N PRO A 91 8.081 0.005 -1.667 1.00 0.00 N ATOM 1373 CA PRO A 91 9.447 0.422 -1.372 1.00 0.00 C ATOM 1374 C PRO A 91 10.108 -0.646 -0.463 1.00 0.00 C ATOM 1375 O PRO A 91 9.673 -1.800 -0.438 1.00 0.00 O ATOM 1376 CB PRO A 91 9.278 1.809 -0.741 1.00 0.00 C ATOM 1377 CG PRO A 91 7.967 1.698 0.027 1.00 0.00 C ATOM 1378 CD PRO A 91 7.146 0.691 -0.787 1.00 0.00 C ATOM 0 HA PRO A 91 10.116 0.498 -2.229 1.00 0.00 H new ATOM 0 HB2 PRO A 91 10.110 2.053 -0.080 1.00 0.00 H new ATOM 0 HB3 PRO A 91 9.233 2.591 -1.499 1.00 0.00 H new ATOM 0 HG2 PRO A 91 8.130 1.349 1.047 1.00 0.00 H new ATOM 0 HG3 PRO A 91 7.462 2.661 0.097 1.00 0.00 H new ATOM 0 HD2 PRO A 91 6.641 -0.018 -0.130 1.00 0.00 H new ATOM 0 HD3 PRO A 91 6.372 1.198 -1.364 1.00 0.00 H new