USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 834 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 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 117 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 79 THR OG1 : rot 64:sc= 0.0781! USER MOD Set 2.2: A 80 HIS : no HD1:sc= -3.92! C(o=-4.1!,f=-18!) USER MOD Set 2.3: A 102 HIS : no HD1:sc= -0.269 X(o=-4.1,f=-4.1) USER MOD Set 3.1: A 47 TYR OH : rot 6:sc= -0.667 USER MOD Set 3.2: A 49 CYS SG : rot 180:sc= -0.412 USER MOD Set 4.1: A 22 THR OG1 : rot 170:sc= 0.464 USER MOD Set 4.2: A 25 ASN :FLIP amide:sc= -0.307 F(o=-4.2!,f=0.16) USER MOD Single : A 28 ASN : amide:sc= -0.0802 K(o=-0.08,f=-0.62) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0.461 K(o=0.46,f=-0.041) USER MOD Single : A 44 CYS SG : rot 33:sc= 0.865 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -114:sc= 0.864 (180deg=-1.41!) USER MOD Single : A 64 ASN : amide:sc= -0.337 K(o=-0.34,f=-2.4!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.249 K(o=-0.25,f=-3.3!) USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 75 ASN :FLIP amide:sc= -3.54! C(o=-5!,f=-3.5!) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc=-0.00126 X(o=-0.0013,f=-0.072) USER MOD Single : A 95 ASN : amide:sc= -0.261 K(o=-0.26,f=-1.2) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 170:sc= 0 USER MOD Single : A 99 HIS : no HE2:sc= -1.04 K(o=-1,f=-1.9) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 CYS SG : rot -146:sc= -5.38! USER MOD Single : A 114 SER OG : rot -160:sc= 0 USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot -104:sc= -0.579 USER MOD Single : A 126 HIS :FLIP no HD1:sc= -0.678 F(o=-2.1,f=-0.68) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 258 N PRO A 21 1.170 8.660 6.564 1.00 0.00 N ATOM 259 CA PRO A 21 1.136 7.620 5.551 1.00 0.00 C ATOM 260 C PRO A 21 0.359 6.398 6.046 1.00 0.00 C ATOM 261 O PRO A 21 0.954 5.422 6.500 1.00 0.00 O ATOM 262 CB PRO A 21 2.594 7.315 5.250 1.00 0.00 C ATOM 263 CG PRO A 21 3.385 7.857 6.429 1.00 0.00 C ATOM 264 CD PRO A 21 2.466 8.768 7.228 1.00 0.00 C ATOM 0 HA PRO A 21 0.614 7.931 4.646 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.753 6.243 5.133 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.908 7.787 4.319 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.749 7.040 7.052 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.260 8.407 6.081 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.405 8.454 8.270 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.828 9.796 7.226 1.00 0.00 H new ATOM 272 N THR A 22 -0.958 6.492 5.942 1.00 0.00 N ATOM 273 CA THR A 22 -1.822 5.406 6.373 1.00 0.00 C ATOM 274 C THR A 22 -2.784 5.012 5.251 1.00 0.00 C ATOM 275 O THR A 22 -3.035 5.798 4.339 1.00 0.00 O ATOM 276 CB THR A 22 -2.533 5.848 7.655 1.00 0.00 C ATOM 277 OG1 THR A 22 -2.948 7.183 7.379 1.00 0.00 O ATOM 278 CG2 THR A 22 -1.572 5.993 8.837 1.00 0.00 C ATOM 0 H THR A 22 -1.448 7.303 5.566 1.00 0.00 H new ATOM 0 HA THR A 22 -1.246 4.508 6.596 1.00 0.00 H new ATOM 0 HB THR A 22 -3.311 5.127 7.906 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.550 7.491 8.088 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.127 6.308 9.721 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.090 5.035 9.034 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.813 6.739 8.600 1.00 0.00 H new ATOM 286 N LEU A 23 -3.296 3.794 5.355 1.00 0.00 N ATOM 287 CA LEU A 23 -4.225 3.286 4.360 1.00 0.00 C ATOM 288 C LEU A 23 -5.351 4.301 4.153 1.00 0.00 C ATOM 289 O LEU A 23 -5.499 4.856 3.065 1.00 0.00 O ATOM 290 CB LEU A 23 -4.719 1.891 4.750 1.00 0.00 C ATOM 291 CG LEU A 23 -5.002 0.931 3.593 1.00 0.00 C ATOM 292 CD1 LEU A 23 -6.226 1.383 2.794 1.00 0.00 C ATOM 293 CD2 LEU A 23 -3.768 0.763 2.706 1.00 0.00 C ATOM 0 H LEU A 23 -3.085 3.145 6.113 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.724 3.165 3.399 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.975 1.433 5.402 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.632 2.001 5.336 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.234 -0.049 4.010 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.406 0.684 1.977 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.098 1.409 3.448 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.048 2.378 2.387 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.996 0.076 1.891 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.481 1.731 2.295 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.946 0.363 3.299 1.00 0.00 H new ATOM 305 N GLU A 24 -6.115 4.514 5.214 1.00 0.00 N ATOM 306 CA GLU A 24 -7.222 5.453 5.162 1.00 0.00 C ATOM 307 C GLU A 24 -6.787 6.750 4.476 1.00 0.00 C ATOM 308 O GLU A 24 -7.446 7.216 3.548 1.00 0.00 O ATOM 309 CB GLU A 24 -7.771 5.732 6.563 1.00 0.00 C ATOM 310 CG GLU A 24 -9.262 6.073 6.510 1.00 0.00 C ATOM 311 CD GLU A 24 -9.506 7.528 6.917 1.00 0.00 C ATOM 312 OE1 GLU A 24 -9.047 7.893 8.021 1.00 0.00 O ATOM 313 OE2 GLU A 24 -10.145 8.241 6.114 1.00 0.00 O ATOM 0 H GLU A 24 -5.989 4.052 6.115 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.024 5.006 4.575 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.616 4.860 7.198 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.221 6.558 7.015 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.642 5.905 5.502 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.815 5.408 7.174 1.00 0.00 H new ATOM 320 N ASN A 25 -5.681 7.296 4.960 1.00 0.00 N ATOM 321 CA ASN A 25 -5.151 8.529 4.405 1.00 0.00 C ATOM 322 C ASN A 25 -4.116 8.196 3.329 1.00 0.00 C ATOM 323 O ASN A 25 -2.948 8.563 3.450 1.00 0.00 O ATOM 324 CB ASN A 25 -4.459 9.365 5.483 1.00 0.00 C ATOM 325 CG ASN A 25 -5.175 9.227 6.828 1.00 0.00 C ATOM 326 OD1 ASN A 25 -4.356 9.195 7.876 1.00 0.00 O flip ATOM 327 ND2 ASN A 25 -6.390 9.155 6.909 1.00 0.00 N flip ATOM 0 H ASN A 25 -5.138 6.907 5.730 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.983 9.096 3.987 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.422 9.047 5.585 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.443 10.412 5.181 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -6.960 9.186 6.064 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -6.836 9.064 7.822 1.00 0.00 H new ATOM 334 N LEU A 26 -4.582 7.503 2.300 1.00 0.00 N ATOM 335 CA LEU A 26 -3.711 7.115 1.203 1.00 0.00 C ATOM 336 C LEU A 26 -3.861 8.120 0.059 1.00 0.00 C ATOM 337 O LEU A 26 -2.909 8.377 -0.675 1.00 0.00 O ATOM 338 CB LEU A 26 -3.982 5.668 0.789 1.00 0.00 C ATOM 339 CG LEU A 26 -3.410 5.238 -0.563 1.00 0.00 C ATOM 340 CD1 LEU A 26 -1.899 5.472 -0.618 1.00 0.00 C ATOM 341 CD2 LEU A 26 -3.777 3.786 -0.878 1.00 0.00 C ATOM 0 H LEU A 26 -5.551 7.200 2.203 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.668 7.142 1.518 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.578 5.009 1.558 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.061 5.512 0.771 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.861 5.859 -1.337 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.517 5.158 -1.590 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.689 6.531 -0.471 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.412 4.893 0.167 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.358 3.506 -1.845 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.373 3.133 -0.105 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.862 3.684 -0.910 1.00 0.00 H new ATOM 353 N GLU A 27 -5.065 8.661 -0.057 1.00 0.00 N ATOM 354 CA GLU A 27 -5.352 9.632 -1.099 1.00 0.00 C ATOM 355 C GLU A 27 -4.736 10.988 -0.746 1.00 0.00 C ATOM 356 O GLU A 27 -4.159 11.653 -1.604 1.00 0.00 O ATOM 357 CB GLU A 27 -6.860 9.759 -1.330 1.00 0.00 C ATOM 358 CG GLU A 27 -7.472 8.407 -1.705 1.00 0.00 C ATOM 359 CD GLU A 27 -8.862 8.587 -2.319 1.00 0.00 C ATOM 360 OE1 GLU A 27 -9.414 9.696 -2.158 1.00 0.00 O ATOM 361 OE2 GLU A 27 -9.340 7.610 -2.936 1.00 0.00 O ATOM 0 H GLU A 27 -5.853 8.445 0.554 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.903 9.282 -2.028 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.339 10.142 -0.429 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.051 10.481 -2.124 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.822 7.893 -2.413 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -7.541 7.776 -0.819 1.00 0.00 H new ATOM 368 N ASN A 28 -4.881 11.356 0.519 1.00 0.00 N ATOM 369 CA ASN A 28 -4.346 12.620 0.996 1.00 0.00 C ATOM 370 C ASN A 28 -2.839 12.479 1.221 1.00 0.00 C ATOM 371 O ASN A 28 -2.134 13.476 1.370 1.00 0.00 O ATOM 372 CB ASN A 28 -4.987 13.023 2.325 1.00 0.00 C ATOM 373 CG ASN A 28 -6.170 13.966 2.100 1.00 0.00 C ATOM 374 OD1 ASN A 28 -6.117 14.892 1.308 1.00 0.00 O ATOM 375 ND2 ASN A 28 -7.238 13.680 2.839 1.00 0.00 N ATOM 0 H ASN A 28 -5.361 10.801 1.228 1.00 0.00 H new ATOM 0 HA ASN A 28 -4.561 13.381 0.246 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -5.323 12.132 2.855 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -4.245 13.510 2.958 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -8.080 14.251 2.762 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -7.216 12.890 3.483 1.00 0.00 H new ATOM 382 N LEU A 29 -2.390 11.233 1.238 1.00 0.00 N ATOM 383 CA LEU A 29 -0.980 10.948 1.442 1.00 0.00 C ATOM 384 C LEU A 29 -0.160 11.652 0.359 1.00 0.00 C ATOM 385 O LEU A 29 -0.692 12.018 -0.688 1.00 0.00 O ATOM 386 CB LEU A 29 -0.742 9.438 1.510 1.00 0.00 C ATOM 387 CG LEU A 29 0.635 8.955 1.051 1.00 0.00 C ATOM 388 CD1 LEU A 29 1.679 9.152 2.152 1.00 0.00 C ATOM 389 CD2 LEU A 29 0.575 7.503 0.571 1.00 0.00 C ATOM 0 H LEU A 29 -2.978 10.409 1.114 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.647 11.343 2.402 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.895 9.112 2.539 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.500 8.943 0.903 1.00 0.00 H new ATOM 0 HG LEU A 29 0.945 9.562 0.201 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.649 8.801 1.801 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.746 10.210 2.405 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.387 8.586 3.036 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.567 7.185 0.250 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.235 6.864 1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.119 7.425 -0.266 1.00 0.00 H new ATOM 401 N ASP A 30 1.122 11.819 0.647 1.00 0.00 N ATOM 402 CA ASP A 30 2.021 12.472 -0.290 1.00 0.00 C ATOM 403 C ASP A 30 3.146 11.506 -0.668 1.00 0.00 C ATOM 404 O ASP A 30 4.187 11.473 -0.014 1.00 0.00 O ATOM 405 CB ASP A 30 2.656 13.716 0.333 1.00 0.00 C ATOM 406 CG ASP A 30 3.766 14.362 -0.500 1.00 0.00 C ATOM 407 OD1 ASP A 30 4.034 13.828 -1.598 1.00 0.00 O ATOM 408 OD2 ASP A 30 4.320 15.374 -0.019 1.00 0.00 O ATOM 0 H ASP A 30 1.560 11.514 1.516 1.00 0.00 H new ATOM 0 HA ASP A 30 1.442 12.763 -1.166 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.875 14.456 0.506 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.063 13.448 1.308 1.00 0.00 H new ATOM 413 N VAL A 31 2.898 10.744 -1.723 1.00 0.00 N ATOM 414 CA VAL A 31 3.878 9.780 -2.196 1.00 0.00 C ATOM 415 C VAL A 31 5.214 10.489 -2.427 1.00 0.00 C ATOM 416 O VAL A 31 6.267 9.853 -2.419 1.00 0.00 O ATOM 417 CB VAL A 31 3.353 9.072 -3.447 1.00 0.00 C ATOM 418 CG1 VAL A 31 2.948 10.085 -4.521 1.00 0.00 C ATOM 419 CG2 VAL A 31 4.384 8.081 -3.990 1.00 0.00 C ATOM 0 H VAL A 31 2.034 10.774 -2.264 1.00 0.00 H new ATOM 0 HA VAL A 31 4.046 9.006 -1.447 1.00 0.00 H new ATOM 0 HB VAL A 31 2.464 8.509 -3.164 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.578 9.556 -5.399 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.164 10.734 -4.132 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.813 10.687 -4.798 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.985 7.592 -4.879 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.299 8.613 -4.248 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.603 7.331 -3.230 1.00 0.00 H new ATOM 429 N SER A 32 5.128 11.796 -2.626 1.00 0.00 N ATOM 430 CA SER A 32 6.317 12.597 -2.857 1.00 0.00 C ATOM 431 C SER A 32 6.866 13.117 -1.527 1.00 0.00 C ATOM 432 O SER A 32 7.614 14.092 -1.499 1.00 0.00 O ATOM 433 CB SER A 32 6.020 13.765 -3.801 1.00 0.00 C ATOM 434 OG SER A 32 6.966 13.848 -4.863 1.00 0.00 O ATOM 0 H SER A 32 4.253 12.320 -2.632 1.00 0.00 H new ATOM 0 HA SER A 32 7.068 11.964 -3.330 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.019 13.650 -4.216 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.026 14.698 -3.237 1.00 0.00 H new ATOM 0 HG SER A 32 6.740 14.605 -5.444 1.00 0.00 H new ATOM 440 N ALA A 33 6.472 12.441 -0.457 1.00 0.00 N ATOM 441 CA ALA A 33 6.915 12.823 0.873 1.00 0.00 C ATOM 442 C ALA A 33 7.941 11.804 1.376 1.00 0.00 C ATOM 443 O ALA A 33 8.963 12.178 1.948 1.00 0.00 O ATOM 444 CB ALA A 33 5.704 12.938 1.801 1.00 0.00 C ATOM 0 H ALA A 33 5.851 11.632 -0.484 1.00 0.00 H new ATOM 0 HA ALA A 33 7.402 13.798 0.851 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.036 13.225 2.799 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.020 13.694 1.415 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.192 11.977 1.851 1.00 0.00 H new ATOM 450 N PHE A 34 7.631 10.537 1.144 1.00 0.00 N ATOM 451 CA PHE A 34 8.513 9.462 1.566 1.00 0.00 C ATOM 452 C PHE A 34 9.952 9.726 1.119 1.00 0.00 C ATOM 453 O PHE A 34 10.202 9.997 -0.054 1.00 0.00 O ATOM 454 CB PHE A 34 8.010 8.182 0.896 1.00 0.00 C ATOM 455 CG PHE A 34 6.581 7.796 1.285 1.00 0.00 C ATOM 456 CD1 PHE A 34 6.341 7.199 2.483 1.00 0.00 C ATOM 457 CD2 PHE A 34 5.552 8.049 0.433 1.00 0.00 C ATOM 458 CE1 PHE A 34 5.015 6.841 2.844 1.00 0.00 C ATOM 459 CE2 PHE A 34 4.227 7.691 0.794 1.00 0.00 C ATOM 460 CZ PHE A 34 3.986 7.094 1.992 1.00 0.00 C ATOM 0 H PHE A 34 6.782 10.231 0.669 1.00 0.00 H new ATOM 0 HA PHE A 34 8.508 9.381 2.653 1.00 0.00 H new ATOM 0 HB2 PHE A 34 8.060 8.307 -0.186 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.680 7.362 1.154 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.158 6.997 3.160 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.743 8.523 -0.519 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.824 6.368 3.796 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.410 7.893 0.117 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.978 6.821 2.266 1.00 0.00 H new ATOM 470 N GLN A 35 10.862 9.637 2.079 1.00 0.00 N ATOM 471 CA GLN A 35 12.269 9.863 1.799 1.00 0.00 C ATOM 472 C GLN A 35 12.939 8.560 1.358 1.00 0.00 C ATOM 473 O GLN A 35 14.106 8.557 0.969 1.00 0.00 O ATOM 474 CB GLN A 35 12.981 10.461 3.014 1.00 0.00 C ATOM 475 CG GLN A 35 12.167 11.608 3.616 1.00 0.00 C ATOM 476 CD GLN A 35 12.591 12.953 3.022 1.00 0.00 C ATOM 477 OE1 GLN A 35 13.720 13.394 3.160 1.00 0.00 O ATOM 478 NE2 GLN A 35 11.624 13.577 2.354 1.00 0.00 N ATOM 0 H GLN A 35 10.651 9.411 3.051 1.00 0.00 H new ATOM 0 HA GLN A 35 12.346 10.582 0.984 1.00 0.00 H new ATOM 0 HB2 GLN A 35 13.137 9.687 3.766 1.00 0.00 H new ATOM 0 HB3 GLN A 35 13.966 10.824 2.721 1.00 0.00 H new ATOM 0 HG2 GLN A 35 11.106 11.442 3.429 1.00 0.00 H new ATOM 0 HG3 GLN A 35 12.302 11.626 4.698 1.00 0.00 H new ATOM 0 HE21 GLN A 35 10.700 13.151 2.277 1.00 0.00 H new ATOM 0 HE22 GLN A 35 11.806 14.481 1.919 1.00 0.00 H new ATOM 487 N ALA A 36 12.171 7.483 1.433 1.00 0.00 N ATOM 488 CA ALA A 36 12.675 6.176 1.047 1.00 0.00 C ATOM 489 C ALA A 36 13.465 6.304 -0.257 1.00 0.00 C ATOM 490 O ALA A 36 13.372 7.318 -0.946 1.00 0.00 O ATOM 491 CB ALA A 36 11.508 5.193 0.927 1.00 0.00 C ATOM 0 H ALA A 36 11.203 7.489 1.755 1.00 0.00 H new ATOM 0 HA ALA A 36 13.353 5.786 1.807 1.00 0.00 H new ATOM 0 HB1 ALA A 36 11.886 4.213 0.637 1.00 0.00 H new ATOM 0 HB2 ALA A 36 10.997 5.116 1.887 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.808 5.550 0.171 1.00 0.00 H new ATOM 497 N PRO A 37 14.245 5.232 -0.564 1.00 0.00 N ATOM 498 CA PRO A 37 15.051 5.215 -1.773 1.00 0.00 C ATOM 499 C PRO A 37 14.180 4.980 -3.009 1.00 0.00 C ATOM 500 O PRO A 37 13.117 4.369 -2.916 1.00 0.00 O ATOM 501 CB PRO A 37 16.074 4.114 -1.548 1.00 0.00 C ATOM 502 CG PRO A 37 15.516 3.249 -0.429 1.00 0.00 C ATOM 503 CD PRO A 37 14.379 4.014 0.229 1.00 0.00 C ATOM 0 HA PRO A 37 15.546 6.167 -1.962 1.00 0.00 H new ATOM 0 HB2 PRO A 37 16.225 3.529 -2.456 1.00 0.00 H new ATOM 0 HB3 PRO A 37 17.043 4.531 -1.273 1.00 0.00 H new ATOM 0 HG2 PRO A 37 15.158 2.298 -0.824 1.00 0.00 H new ATOM 0 HG3 PRO A 37 16.293 3.019 0.300 1.00 0.00 H new ATOM 0 HD2 PRO A 37 13.456 3.434 0.223 1.00 0.00 H new ATOM 0 HD3 PRO A 37 14.606 4.242 1.270 1.00 0.00 H new ATOM 511 N GLU A 38 14.665 5.476 -4.138 1.00 0.00 N ATOM 512 CA GLU A 38 13.944 5.327 -5.391 1.00 0.00 C ATOM 513 C GLU A 38 13.954 3.864 -5.838 1.00 0.00 C ATOM 514 O GLU A 38 13.284 3.502 -6.804 1.00 0.00 O ATOM 515 CB GLU A 38 14.532 6.236 -6.472 1.00 0.00 C ATOM 516 CG GLU A 38 14.066 7.681 -6.287 1.00 0.00 C ATOM 517 CD GLU A 38 14.194 8.470 -7.592 1.00 0.00 C ATOM 518 OE1 GLU A 38 15.290 9.029 -7.812 1.00 0.00 O ATOM 519 OE2 GLU A 38 13.192 8.496 -8.339 1.00 0.00 O ATOM 0 H GLU A 38 15.548 5.981 -4.211 1.00 0.00 H new ATOM 0 HA GLU A 38 12.909 5.630 -5.232 1.00 0.00 H new ATOM 0 HB2 GLU A 38 15.621 6.194 -6.435 1.00 0.00 H new ATOM 0 HB3 GLU A 38 14.232 5.877 -7.457 1.00 0.00 H new ATOM 0 HG2 GLU A 38 13.029 7.692 -5.951 1.00 0.00 H new ATOM 0 HG3 GLU A 38 14.658 8.161 -5.508 1.00 0.00 H new ATOM 526 N ASP A 39 14.722 3.063 -5.114 1.00 0.00 N ATOM 527 CA ASP A 39 14.828 1.647 -5.425 1.00 0.00 C ATOM 528 C ASP A 39 14.304 0.829 -4.243 1.00 0.00 C ATOM 529 O ASP A 39 14.613 -0.355 -4.117 1.00 0.00 O ATOM 530 CB ASP A 39 16.284 1.245 -5.670 1.00 0.00 C ATOM 531 CG ASP A 39 17.223 2.399 -6.027 1.00 0.00 C ATOM 532 OD1 ASP A 39 16.763 3.295 -6.768 1.00 0.00 O ATOM 533 OD2 ASP A 39 18.378 2.359 -5.552 1.00 0.00 O ATOM 0 H ASP A 39 15.276 3.367 -4.314 1.00 0.00 H new ATOM 0 HA ASP A 39 14.244 1.454 -6.325 1.00 0.00 H new ATOM 0 HB2 ASP A 39 16.664 0.751 -4.776 1.00 0.00 H new ATOM 0 HB3 ASP A 39 16.312 0.511 -6.476 1.00 0.00 H new ATOM 538 N LEU A 40 13.521 1.494 -3.406 1.00 0.00 N ATOM 539 CA LEU A 40 12.951 0.843 -2.238 1.00 0.00 C ATOM 540 C LEU A 40 12.514 -0.575 -2.612 1.00 0.00 C ATOM 541 O LEU A 40 13.054 -1.551 -2.094 1.00 0.00 O ATOM 542 CB LEU A 40 11.829 1.696 -1.644 1.00 0.00 C ATOM 543 CG LEU A 40 11.167 1.147 -0.378 1.00 0.00 C ATOM 544 CD1 LEU A 40 12.213 0.817 0.688 1.00 0.00 C ATOM 545 CD2 LEU A 40 10.099 2.110 0.144 1.00 0.00 C ATOM 0 H LEU A 40 13.268 2.476 -3.513 1.00 0.00 H new ATOM 0 HA LEU A 40 13.699 0.749 -1.451 1.00 0.00 H new ATOM 0 HB2 LEU A 40 12.230 2.684 -1.421 1.00 0.00 H new ATOM 0 HB3 LEU A 40 11.059 1.829 -2.404 1.00 0.00 H new ATOM 0 HG LEU A 40 10.662 0.215 -0.633 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.716 0.429 1.577 1.00 0.00 H new ATOM 0 HD12 LEU A 40 12.903 0.067 0.301 1.00 0.00 H new ATOM 0 HD13 LEU A 40 12.766 1.720 0.947 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.644 1.696 1.044 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.558 3.070 0.378 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.332 2.251 -0.618 1.00 0.00 H new ATOM 557 N LEU A 41 11.541 -0.642 -3.509 1.00 0.00 N ATOM 558 CA LEU A 41 11.025 -1.924 -3.958 1.00 0.00 C ATOM 559 C LEU A 41 11.674 -2.290 -5.295 1.00 0.00 C ATOM 560 O LEU A 41 10.984 -2.665 -6.241 1.00 0.00 O ATOM 561 CB LEU A 41 9.496 -1.901 -4.002 1.00 0.00 C ATOM 562 CG LEU A 41 8.812 -0.923 -3.045 1.00 0.00 C ATOM 563 CD1 LEU A 41 7.435 -0.513 -3.571 1.00 0.00 C ATOM 564 CD2 LEU A 41 8.736 -1.502 -1.631 1.00 0.00 C ATOM 0 H LEU A 41 11.097 0.170 -3.937 1.00 0.00 H new ATOM 0 HA LEU A 41 11.288 -2.710 -3.250 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.185 -1.661 -5.019 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.131 -2.905 -3.786 1.00 0.00 H new ATOM 0 HG LEU A 41 9.418 -0.019 -2.991 1.00 0.00 H new ATOM 0 HD11 LEU A 41 6.971 0.182 -2.872 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.545 -0.031 -4.543 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.807 -1.398 -3.674 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.245 -0.787 -0.971 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.165 -2.431 -1.648 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.743 -1.702 -1.265 1.00 0.00 H new ATOM 576 N ASP A 42 12.993 -2.168 -5.329 1.00 0.00 N ATOM 577 CA ASP A 42 13.742 -2.481 -6.534 1.00 0.00 C ATOM 578 C ASP A 42 13.406 -3.905 -6.983 1.00 0.00 C ATOM 579 O ASP A 42 13.472 -4.842 -6.188 1.00 0.00 O ATOM 580 CB ASP A 42 15.249 -2.408 -6.280 1.00 0.00 C ATOM 581 CG ASP A 42 16.112 -3.174 -7.285 1.00 0.00 C ATOM 582 OD1 ASP A 42 16.226 -4.407 -7.111 1.00 0.00 O ATOM 583 OD2 ASP A 42 16.637 -2.510 -8.204 1.00 0.00 O ATOM 0 H ASP A 42 13.562 -1.857 -4.542 1.00 0.00 H new ATOM 0 HA ASP A 42 13.470 -1.754 -7.299 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.553 -1.361 -6.286 1.00 0.00 H new ATOM 0 HB3 ASP A 42 15.453 -2.793 -5.281 1.00 0.00 H new ATOM 588 N GLY A 43 13.054 -4.023 -8.254 1.00 0.00 N ATOM 589 CA GLY A 43 12.709 -5.317 -8.818 1.00 0.00 C ATOM 590 C GLY A 43 11.706 -6.053 -7.927 1.00 0.00 C ATOM 591 O GLY A 43 11.815 -7.262 -7.731 1.00 0.00 O ATOM 0 H GLY A 43 13.000 -3.244 -8.910 1.00 0.00 H new ATOM 0 HA2 GLY A 43 12.286 -5.183 -9.814 1.00 0.00 H new ATOM 0 HA3 GLY A 43 13.610 -5.920 -8.933 1.00 0.00 H new ATOM 595 N CYS A 44 10.751 -5.292 -7.412 1.00 0.00 N ATOM 596 CA CYS A 44 9.729 -5.857 -6.547 1.00 0.00 C ATOM 597 C CYS A 44 8.365 -5.627 -7.202 1.00 0.00 C ATOM 598 O CYS A 44 7.852 -4.509 -7.200 1.00 0.00 O ATOM 599 CB CYS A 44 9.792 -5.266 -5.137 1.00 0.00 C ATOM 600 SG CYS A 44 11.440 -5.573 -4.403 1.00 0.00 S ATOM 0 H CYS A 44 10.664 -4.289 -7.577 1.00 0.00 H new ATOM 0 HA CYS A 44 9.899 -6.927 -6.429 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.595 -4.195 -5.174 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.018 -5.711 -4.512 1.00 0.00 H new ATOM 0 HG CYS A 44 12.342 -5.557 -5.339 1.00 0.00 H new ATOM 606 N ARG A 45 7.817 -6.704 -7.746 1.00 0.00 N ATOM 607 CA ARG A 45 6.523 -6.634 -8.402 1.00 0.00 C ATOM 608 C ARG A 45 5.399 -6.826 -7.382 1.00 0.00 C ATOM 609 O ARG A 45 5.302 -7.877 -6.750 1.00 0.00 O ATOM 610 CB ARG A 45 6.400 -7.700 -9.493 1.00 0.00 C ATOM 611 CG ARG A 45 6.968 -7.195 -10.820 1.00 0.00 C ATOM 612 CD ARG A 45 7.238 -8.356 -11.779 1.00 0.00 C ATOM 613 NE ARG A 45 8.676 -8.707 -11.756 1.00 0.00 N ATOM 614 CZ ARG A 45 9.646 -7.932 -12.260 1.00 0.00 C ATOM 615 NH1 ARG A 45 9.339 -6.758 -12.827 1.00 0.00 N ATOM 616 NH2 ARG A 45 10.924 -8.332 -12.195 1.00 0.00 N ATOM 0 H ARG A 45 8.246 -7.630 -7.746 1.00 0.00 H new ATOM 0 HA ARG A 45 6.437 -5.649 -8.861 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.930 -8.602 -9.186 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.353 -7.974 -9.622 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.267 -6.497 -11.277 1.00 0.00 H new ATOM 0 HG3 ARG A 45 7.892 -6.646 -10.639 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.639 -9.221 -11.494 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.938 -8.081 -12.790 1.00 0.00 H new ATOM 0 HE ARG A 45 8.945 -9.594 -11.330 1.00 0.00 H new ATOM 0 HH11 ARG A 45 8.367 -6.454 -12.875 1.00 0.00 H new ATOM 0 HH12 ARG A 45 10.078 -6.168 -13.211 1.00 0.00 H new ATOM 0 HH21 ARG A 45 11.157 -9.226 -11.762 1.00 0.00 H new ATOM 0 HH22 ARG A 45 11.663 -7.743 -12.578 1.00 0.00 H new ATOM 630 N ILE A 46 4.578 -5.794 -7.252 1.00 0.00 N ATOM 631 CA ILE A 46 3.465 -5.836 -6.319 1.00 0.00 C ATOM 632 C ILE A 46 2.152 -5.694 -7.092 1.00 0.00 C ATOM 633 O ILE A 46 2.114 -5.068 -8.150 1.00 0.00 O ATOM 634 CB ILE A 46 3.647 -4.787 -5.220 1.00 0.00 C ATOM 635 CG1 ILE A 46 5.047 -4.871 -4.609 1.00 0.00 C ATOM 636 CG2 ILE A 46 2.551 -4.908 -4.160 1.00 0.00 C ATOM 637 CD1 ILE A 46 5.744 -3.509 -4.645 1.00 0.00 C ATOM 0 H ILE A 46 4.661 -4.924 -7.777 1.00 0.00 H new ATOM 0 HA ILE A 46 3.433 -6.798 -5.808 1.00 0.00 H new ATOM 0 HB ILE A 46 3.551 -3.799 -5.671 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.978 -5.221 -3.579 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.643 -5.603 -5.155 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.704 -4.151 -3.391 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.577 -4.761 -4.626 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.591 -5.899 -3.707 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.737 -3.597 -4.205 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.833 -3.173 -5.678 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.158 -2.785 -4.078 1.00 0.00 H new ATOM 649 N TYR A 47 1.107 -6.287 -6.534 1.00 0.00 N ATOM 650 CA TYR A 47 -0.205 -6.235 -7.157 1.00 0.00 C ATOM 651 C TYR A 47 -1.179 -5.406 -6.317 1.00 0.00 C ATOM 652 O TYR A 47 -1.264 -5.584 -5.103 1.00 0.00 O ATOM 653 CB TYR A 47 -0.702 -7.681 -7.214 1.00 0.00 C ATOM 654 CG TYR A 47 -2.145 -7.824 -7.703 1.00 0.00 C ATOM 655 CD1 TYR A 47 -2.442 -7.639 -9.038 1.00 0.00 C ATOM 656 CD2 TYR A 47 -3.148 -8.138 -6.810 1.00 0.00 C ATOM 657 CE1 TYR A 47 -3.800 -7.774 -9.499 1.00 0.00 C ATOM 658 CE2 TYR A 47 -4.506 -8.272 -7.270 1.00 0.00 C ATOM 659 CZ TYR A 47 -4.765 -8.084 -8.592 1.00 0.00 C ATOM 660 OH TYR A 47 -6.047 -8.211 -9.027 1.00 0.00 O ATOM 0 H TYR A 47 1.142 -6.806 -5.657 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.144 -5.775 -8.143 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.048 -8.254 -7.872 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.620 -8.122 -6.221 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.656 -7.393 -9.737 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.915 -8.283 -5.766 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.046 -7.632 -10.541 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.301 -8.516 -6.581 1.00 0.00 H new ATOM 0 HH TYR A 47 -6.069 -8.145 -10.005 1.00 0.00 H new ATOM 670 N LEU A 48 -1.888 -4.518 -6.997 1.00 0.00 N ATOM 671 CA LEU A 48 -2.853 -3.661 -6.329 1.00 0.00 C ATOM 672 C LEU A 48 -4.249 -4.273 -6.459 1.00 0.00 C ATOM 673 O LEU A 48 -4.784 -4.379 -7.561 1.00 0.00 O ATOM 674 CB LEU A 48 -2.757 -2.230 -6.861 1.00 0.00 C ATOM 675 CG LEU A 48 -1.431 -1.509 -6.613 1.00 0.00 C ATOM 676 CD1 LEU A 48 -1.430 -0.123 -7.261 1.00 0.00 C ATOM 677 CD2 LEU A 48 -1.115 -1.442 -5.118 1.00 0.00 C ATOM 0 H LEU A 48 -1.814 -4.373 -8.004 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.631 -3.596 -5.264 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.941 -2.250 -7.935 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.557 -1.642 -6.411 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.636 -2.086 -7.085 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.476 0.368 -7.069 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.576 -0.224 -8.336 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.237 0.476 -6.840 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.167 -0.925 -4.969 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.908 -0.901 -4.602 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.044 -2.452 -4.716 1.00 0.00 H new ATOM 689 N CYS A 49 -4.798 -4.662 -5.317 1.00 0.00 N ATOM 690 CA CYS A 49 -6.122 -5.261 -5.289 1.00 0.00 C ATOM 691 C CYS A 49 -7.017 -4.408 -4.388 1.00 0.00 C ATOM 692 O CYS A 49 -6.764 -4.289 -3.190 1.00 0.00 O ATOM 693 CB CYS A 49 -6.073 -6.719 -4.829 1.00 0.00 C ATOM 694 SG CYS A 49 -7.490 -7.643 -5.525 1.00 0.00 S ATOM 0 H CYS A 49 -4.350 -4.574 -4.405 1.00 0.00 H new ATOM 0 HA CYS A 49 -6.536 -5.280 -6.297 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -5.137 -7.178 -5.148 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -6.097 -6.766 -3.740 1.00 0.00 H new ATOM 0 HG CYS A 49 -7.437 -8.880 -5.130 1.00 0.00 H new ATOM 700 N GLY A 50 -8.044 -3.836 -4.999 1.00 0.00 N ATOM 701 CA GLY A 50 -8.977 -2.997 -4.267 1.00 0.00 C ATOM 702 C GLY A 50 -8.545 -1.530 -4.308 1.00 0.00 C ATOM 703 O GLY A 50 -8.564 -0.845 -3.287 1.00 0.00 O ATOM 0 H GLY A 50 -8.250 -3.937 -5.993 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -9.975 -3.098 -4.694 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.038 -3.333 -3.232 1.00 0.00 H new ATOM 707 N PHE A 51 -8.165 -1.091 -5.499 1.00 0.00 N ATOM 708 CA PHE A 51 -7.729 0.282 -5.687 1.00 0.00 C ATOM 709 C PHE A 51 -8.248 0.846 -7.011 1.00 0.00 C ATOM 710 O PHE A 51 -8.301 0.137 -8.014 1.00 0.00 O ATOM 711 CB PHE A 51 -6.199 0.265 -5.718 1.00 0.00 C ATOM 712 CG PHE A 51 -5.554 -0.102 -4.381 1.00 0.00 C ATOM 713 CD1 PHE A 51 -5.570 0.787 -3.351 1.00 0.00 C ATOM 714 CD2 PHE A 51 -4.963 -1.317 -4.221 1.00 0.00 C ATOM 715 CE1 PHE A 51 -4.971 0.446 -2.110 1.00 0.00 C ATOM 716 CE2 PHE A 51 -4.364 -1.657 -2.980 1.00 0.00 C ATOM 717 CZ PHE A 51 -4.380 -0.769 -1.950 1.00 0.00 C ATOM 0 H PHE A 51 -8.150 -1.662 -6.344 1.00 0.00 H new ATOM 0 HA PHE A 51 -8.113 0.908 -4.881 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.869 -0.445 -6.476 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.841 1.248 -6.025 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.038 1.752 -3.478 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -4.950 -2.023 -5.038 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -4.984 1.151 -1.292 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.895 -2.622 -2.854 1.00 0.00 H new ATOM 0 HZ PHE A 51 -3.924 -1.028 -1.006 1.00 0.00 H new ATOM 727 N SER A 52 -8.619 2.118 -6.970 1.00 0.00 N ATOM 728 CA SER A 52 -9.132 2.786 -8.154 1.00 0.00 C ATOM 729 C SER A 52 -8.804 4.279 -8.096 1.00 0.00 C ATOM 730 O SER A 52 -7.945 4.758 -8.835 1.00 0.00 O ATOM 731 CB SER A 52 -10.642 2.579 -8.292 1.00 0.00 C ATOM 732 OG SER A 52 -11.127 3.013 -9.560 1.00 0.00 O ATOM 0 H SER A 52 -8.574 2.703 -6.136 1.00 0.00 H new ATOM 0 HA SER A 52 -8.651 2.349 -9.029 1.00 0.00 H new ATOM 0 HB2 SER A 52 -10.877 1.523 -8.156 1.00 0.00 H new ATOM 0 HB3 SER A 52 -11.156 3.125 -7.501 1.00 0.00 H new ATOM 0 HG SER A 52 -12.094 2.863 -9.609 1.00 0.00 H new ATOM 738 N GLY A 53 -9.506 4.973 -7.212 1.00 0.00 N ATOM 739 CA GLY A 53 -9.300 6.402 -7.048 1.00 0.00 C ATOM 740 C GLY A 53 -7.842 6.709 -6.701 1.00 0.00 C ATOM 741 O GLY A 53 -6.961 5.878 -6.915 1.00 0.00 O ATOM 0 H GLY A 53 -10.218 4.572 -6.602 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.576 6.921 -7.966 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -9.952 6.779 -6.260 1.00 0.00 H new ATOM 745 N ARG A 54 -7.633 7.905 -6.171 1.00 0.00 N ATOM 746 CA ARG A 54 -6.297 8.333 -5.792 1.00 0.00 C ATOM 747 C ARG A 54 -5.522 7.168 -5.173 1.00 0.00 C ATOM 748 O ARG A 54 -4.322 7.025 -5.401 1.00 0.00 O ATOM 749 CB ARG A 54 -6.352 9.488 -4.791 1.00 0.00 C ATOM 750 CG ARG A 54 -6.907 10.755 -5.445 1.00 0.00 C ATOM 751 CD ARG A 54 -8.079 11.320 -4.641 1.00 0.00 C ATOM 752 NE ARG A 54 -9.231 11.575 -5.534 1.00 0.00 N ATOM 753 CZ ARG A 54 -9.238 12.497 -6.506 1.00 0.00 C ATOM 754 NH1 ARG A 54 -8.155 13.258 -6.716 1.00 0.00 N ATOM 755 NH2 ARG A 54 -10.328 12.658 -7.269 1.00 0.00 N ATOM 0 H ARG A 54 -8.367 8.591 -5.995 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.789 8.673 -6.695 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.977 9.209 -3.942 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.353 9.684 -4.401 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -6.119 11.504 -5.521 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -7.233 10.531 -6.461 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -8.365 10.618 -3.857 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -7.780 12.245 -4.147 1.00 0.00 H new ATOM 0 HE ARG A 54 -10.072 11.014 -5.401 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -7.325 13.135 -6.136 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -8.161 13.960 -7.456 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -11.152 12.079 -7.110 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -10.333 13.360 -8.009 1.00 0.00 H new ATOM 769 N LYS A 55 -6.241 6.363 -4.404 1.00 0.00 N ATOM 770 CA LYS A 55 -5.636 5.215 -3.751 1.00 0.00 C ATOM 771 C LYS A 55 -4.736 4.482 -4.748 1.00 0.00 C ATOM 772 O LYS A 55 -3.580 4.188 -4.448 1.00 0.00 O ATOM 773 CB LYS A 55 -6.712 4.326 -3.125 1.00 0.00 C ATOM 774 CG LYS A 55 -7.602 5.129 -2.174 1.00 0.00 C ATOM 775 CD LYS A 55 -8.094 4.258 -1.016 1.00 0.00 C ATOM 776 CE LYS A 55 -7.929 4.980 0.322 1.00 0.00 C ATOM 777 NZ LYS A 55 -9.073 4.686 1.214 1.00 0.00 N ATOM 0 H LYS A 55 -7.237 6.483 -4.219 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.001 5.537 -2.925 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.322 3.880 -3.910 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.241 3.506 -2.583 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.046 5.981 -1.782 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.456 5.530 -2.721 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.143 4.003 -1.168 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.537 3.321 -0.999 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.999 4.668 0.798 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.857 6.055 0.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.945 5.184 2.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.955 5.005 0.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.124 3.662 1.387 1.00 0.00 H new ATOM 791 N LEU A 56 -5.301 4.207 -5.915 1.00 0.00 N ATOM 792 CA LEU A 56 -4.565 3.514 -6.958 1.00 0.00 C ATOM 793 C LEU A 56 -3.376 4.374 -7.394 1.00 0.00 C ATOM 794 O LEU A 56 -2.226 4.034 -7.120 1.00 0.00 O ATOM 795 CB LEU A 56 -5.498 3.128 -8.107 1.00 0.00 C ATOM 796 CG LEU A 56 -4.879 2.277 -9.217 1.00 0.00 C ATOM 797 CD1 LEU A 56 -3.871 1.278 -8.645 1.00 0.00 C ATOM 798 CD2 LEU A 56 -5.963 1.585 -10.047 1.00 0.00 C ATOM 0 H LEU A 56 -6.260 4.452 -6.161 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.160 2.576 -6.579 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.348 2.586 -7.692 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.890 4.042 -8.553 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.332 2.938 -9.889 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.446 0.686 -9.455 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.074 1.818 -8.133 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.374 0.618 -7.938 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.496 0.987 -10.829 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.558 0.938 -9.402 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.608 2.337 -10.502 1.00 0.00 H new ATOM 810 N ASP A 57 -3.695 5.470 -8.067 1.00 0.00 N ATOM 811 CA ASP A 57 -2.668 6.380 -8.544 1.00 0.00 C ATOM 812 C ASP A 57 -1.564 6.495 -7.490 1.00 0.00 C ATOM 813 O ASP A 57 -0.388 6.304 -7.795 1.00 0.00 O ATOM 814 CB ASP A 57 -3.240 7.779 -8.783 1.00 0.00 C ATOM 815 CG ASP A 57 -2.199 8.898 -8.867 1.00 0.00 C ATOM 816 OD1 ASP A 57 -1.378 8.840 -9.808 1.00 0.00 O ATOM 817 OD2 ASP A 57 -2.248 9.785 -7.988 1.00 0.00 O ATOM 0 H ASP A 57 -4.650 5.748 -8.293 1.00 0.00 H new ATOM 0 HA ASP A 57 -2.277 5.985 -9.481 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.814 7.767 -9.710 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.938 8.012 -7.979 1.00 0.00 H new ATOM 822 N LYS A 58 -1.983 6.805 -6.272 1.00 0.00 N ATOM 823 CA LYS A 58 -1.045 6.947 -5.172 1.00 0.00 C ATOM 824 C LYS A 58 -0.017 5.816 -5.235 1.00 0.00 C ATOM 825 O LYS A 58 1.177 6.065 -5.391 1.00 0.00 O ATOM 826 CB LYS A 58 -1.791 7.027 -3.838 1.00 0.00 C ATOM 827 CG LYS A 58 -2.363 8.428 -3.613 1.00 0.00 C ATOM 828 CD LYS A 58 -1.266 9.407 -3.190 1.00 0.00 C ATOM 829 CE LYS A 58 -1.855 10.780 -2.860 1.00 0.00 C ATOM 830 NZ LYS A 58 -0.877 11.849 -3.162 1.00 0.00 N ATOM 0 H LYS A 58 -2.960 6.962 -6.023 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.495 7.884 -5.259 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.598 6.294 -3.824 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.114 6.771 -3.023 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.838 8.782 -4.528 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.137 8.390 -2.846 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.739 9.015 -2.320 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.532 9.505 -3.990 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.766 10.939 -3.436 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.133 10.820 -1.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.586 12.313 -2.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.044 11.436 -3.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.313 12.551 -3.794 1.00 0.00 H new ATOM 844 N LEU A 59 -0.519 4.596 -5.110 1.00 0.00 N ATOM 845 CA LEU A 59 0.341 3.425 -5.150 1.00 0.00 C ATOM 846 C LEU A 59 1.127 3.421 -6.463 1.00 0.00 C ATOM 847 O LEU A 59 2.347 3.263 -6.459 1.00 0.00 O ATOM 848 CB LEU A 59 -0.476 2.152 -4.918 1.00 0.00 C ATOM 849 CG LEU A 59 -0.859 1.856 -3.467 1.00 0.00 C ATOM 850 CD1 LEU A 59 -1.846 0.690 -3.387 1.00 0.00 C ATOM 851 CD2 LEU A 59 0.385 1.614 -2.610 1.00 0.00 C ATOM 0 H LEU A 59 -1.510 4.393 -4.981 1.00 0.00 H new ATOM 0 HA LEU A 59 1.070 3.459 -4.341 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.390 2.218 -5.508 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.091 1.305 -5.303 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.364 2.733 -3.061 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.102 0.501 -2.344 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.750 0.940 -3.943 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.391 -0.202 -3.817 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.085 1.406 -1.583 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.939 0.763 -3.005 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.019 2.501 -2.630 1.00 0.00 H new ATOM 863 N ARG A 60 0.397 3.596 -7.554 1.00 0.00 N ATOM 864 CA ARG A 60 1.011 3.614 -8.871 1.00 0.00 C ATOM 865 C ARG A 60 2.264 4.492 -8.860 1.00 0.00 C ATOM 866 O ARG A 60 3.169 4.298 -9.669 1.00 0.00 O ATOM 867 CB ARG A 60 0.036 4.141 -9.926 1.00 0.00 C ATOM 868 CG ARG A 60 -1.192 3.237 -10.038 1.00 0.00 C ATOM 869 CD ARG A 60 -2.055 3.630 -11.239 1.00 0.00 C ATOM 870 NE ARG A 60 -2.706 2.429 -11.809 1.00 0.00 N ATOM 871 CZ ARG A 60 -3.287 2.391 -13.016 1.00 0.00 C ATOM 872 NH1 ARG A 60 -3.303 3.487 -13.787 1.00 0.00 N ATOM 873 NH2 ARG A 60 -3.853 1.257 -13.452 1.00 0.00 N ATOM 0 H ARG A 60 -0.615 3.727 -7.553 1.00 0.00 H new ATOM 0 HA ARG A 60 1.283 2.589 -9.124 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.275 5.153 -9.665 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.537 4.201 -10.892 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.876 2.199 -10.137 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.782 3.304 -9.124 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.811 4.353 -10.933 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.439 4.114 -11.997 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.713 1.577 -11.248 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -2.873 4.350 -13.455 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -3.745 3.458 -14.706 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.842 0.423 -12.865 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -4.295 1.228 -14.371 1.00 0.00 H new ATOM 887 N ARG A 61 2.276 5.439 -7.934 1.00 0.00 N ATOM 888 CA ARG A 61 3.403 6.348 -7.807 1.00 0.00 C ATOM 889 C ARG A 61 4.400 5.816 -6.775 1.00 0.00 C ATOM 890 O ARG A 61 5.608 5.991 -6.925 1.00 0.00 O ATOM 891 CB ARG A 61 2.940 7.744 -7.387 1.00 0.00 C ATOM 892 CG ARG A 61 2.085 8.390 -8.479 1.00 0.00 C ATOM 893 CD ARG A 61 1.819 9.864 -8.168 1.00 0.00 C ATOM 894 NE ARG A 61 1.343 10.560 -9.384 1.00 0.00 N ATOM 895 CZ ARG A 61 2.125 10.869 -10.428 1.00 0.00 C ATOM 896 NH1 ARG A 61 3.425 10.545 -10.410 1.00 0.00 N ATOM 897 NH2 ARG A 61 1.607 11.501 -11.489 1.00 0.00 N ATOM 0 H ARG A 61 1.523 5.597 -7.264 1.00 0.00 H new ATOM 0 HA ARG A 61 3.886 6.416 -8.782 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.366 7.678 -6.463 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.807 8.372 -7.180 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.591 8.303 -9.441 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.138 7.857 -8.568 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.075 9.949 -7.376 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.730 10.337 -7.801 1.00 0.00 H new ATOM 0 HE ARG A 61 0.358 10.821 -9.431 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.819 10.063 -9.602 1.00 0.00 H new ATOM 0 HH12 ARG A 61 4.020 10.780 -11.204 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.617 11.747 -11.503 1.00 0.00 H new ATOM 0 HH22 ARG A 61 2.202 11.736 -12.283 1.00 0.00 H new ATOM 911 N LEU A 62 3.856 5.178 -5.749 1.00 0.00 N ATOM 912 CA LEU A 62 4.682 4.620 -4.692 1.00 0.00 C ATOM 913 C LEU A 62 5.452 3.414 -5.235 1.00 0.00 C ATOM 914 O LEU A 62 6.679 3.443 -5.319 1.00 0.00 O ATOM 915 CB LEU A 62 3.833 4.303 -3.459 1.00 0.00 C ATOM 916 CG LEU A 62 3.764 5.398 -2.393 1.00 0.00 C ATOM 917 CD1 LEU A 62 2.417 6.122 -2.436 1.00 0.00 C ATOM 918 CD2 LEU A 62 4.066 4.831 -1.004 1.00 0.00 C ATOM 0 H LEU A 62 2.853 5.035 -5.627 1.00 0.00 H new ATOM 0 HA LEU A 62 5.422 5.349 -4.362 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.818 4.080 -3.789 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.224 3.397 -2.996 1.00 0.00 H new ATOM 0 HG LEU A 62 4.534 6.138 -2.613 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.395 6.895 -1.668 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.281 6.580 -3.416 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.614 5.408 -2.255 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.010 5.630 -0.265 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.336 4.059 -0.760 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.067 4.399 -0.997 1.00 0.00 H new ATOM 930 N ILE A 63 4.699 2.383 -5.589 1.00 0.00 N ATOM 931 CA ILE A 63 5.296 1.170 -6.122 1.00 0.00 C ATOM 932 C ILE A 63 6.371 1.541 -7.144 1.00 0.00 C ATOM 933 O ILE A 63 7.394 0.866 -7.248 1.00 0.00 O ATOM 934 CB ILE A 63 4.214 0.241 -6.677 1.00 0.00 C ATOM 935 CG1 ILE A 63 3.387 -0.376 -5.547 1.00 0.00 C ATOM 936 CG2 ILE A 63 4.824 -0.826 -7.589 1.00 0.00 C ATOM 937 CD1 ILE A 63 1.890 -0.187 -5.798 1.00 0.00 C ATOM 0 H ILE A 63 3.682 2.362 -5.517 1.00 0.00 H new ATOM 0 HA ILE A 63 5.791 0.609 -5.329 1.00 0.00 H new ATOM 0 HB ILE A 63 3.533 0.836 -7.286 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.614 -1.439 -5.464 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.661 0.084 -4.598 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.034 -1.473 -7.970 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.333 -0.344 -8.424 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.540 -1.422 -7.023 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.325 -0.634 -4.980 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.662 0.877 -5.857 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.615 -0.669 -6.736 1.00 0.00 H new ATOM 949 N ASN A 64 6.104 2.614 -7.874 1.00 0.00 N ATOM 950 CA ASN A 64 7.036 3.084 -8.885 1.00 0.00 C ATOM 951 C ASN A 64 8.172 3.853 -8.207 1.00 0.00 C ATOM 952 O ASN A 64 9.341 3.655 -8.532 1.00 0.00 O ATOM 953 CB ASN A 64 6.348 4.030 -9.871 1.00 0.00 C ATOM 954 CG ASN A 64 6.246 3.394 -11.259 1.00 0.00 C ATOM 955 OD1 ASN A 64 6.970 2.474 -11.604 1.00 0.00 O ATOM 956 ND2 ASN A 64 5.310 3.935 -12.034 1.00 0.00 N ATOM 0 H ASN A 64 5.255 3.172 -7.785 1.00 0.00 H new ATOM 0 HA ASN A 64 7.416 2.216 -9.423 1.00 0.00 H new ATOM 0 HB2 ASN A 64 5.351 4.279 -9.507 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.907 4.964 -9.935 1.00 0.00 H new ATOM 0 HD21 ASN A 64 5.164 3.582 -12.980 1.00 0.00 H new ATOM 0 HD22 ASN A 64 4.738 4.703 -11.683 1.00 0.00 H new ATOM 963 N SER A 65 7.788 4.714 -7.276 1.00 0.00 N ATOM 964 CA SER A 65 8.759 5.513 -6.549 1.00 0.00 C ATOM 965 C SER A 65 9.825 4.606 -5.929 1.00 0.00 C ATOM 966 O SER A 65 11.020 4.864 -6.064 1.00 0.00 O ATOM 967 CB SER A 65 8.081 6.353 -5.464 1.00 0.00 C ATOM 968 OG SER A 65 8.029 7.733 -5.813 1.00 0.00 O ATOM 0 H SER A 65 6.817 4.876 -7.009 1.00 0.00 H new ATOM 0 HA SER A 65 9.236 6.195 -7.253 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.069 5.983 -5.298 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.621 6.237 -4.525 1.00 0.00 H new ATOM 0 HG SER A 65 7.588 8.235 -5.096 1.00 0.00 H new ATOM 974 N GLY A 66 9.353 3.562 -5.264 1.00 0.00 N ATOM 975 CA GLY A 66 10.250 2.615 -4.623 1.00 0.00 C ATOM 976 C GLY A 66 10.968 1.751 -5.662 1.00 0.00 C ATOM 977 O GLY A 66 11.904 1.025 -5.330 1.00 0.00 O ATOM 0 H GLY A 66 8.361 3.351 -5.155 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.984 3.153 -4.022 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.686 1.978 -3.942 1.00 0.00 H new ATOM 981 N GLY A 67 10.502 1.858 -6.898 1.00 0.00 N ATOM 982 CA GLY A 67 11.088 1.095 -7.987 1.00 0.00 C ATOM 983 C GLY A 67 10.249 -0.145 -8.301 1.00 0.00 C ATOM 984 O GLY A 67 10.345 -0.703 -9.393 1.00 0.00 O ATOM 0 H GLY A 67 9.726 2.461 -7.169 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.164 1.722 -8.876 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.102 0.795 -7.721 1.00 0.00 H new ATOM 988 N GLY A 68 9.446 -0.540 -7.323 1.00 0.00 N ATOM 989 CA GLY A 68 8.592 -1.705 -7.482 1.00 0.00 C ATOM 990 C GLY A 68 7.789 -1.623 -8.782 1.00 0.00 C ATOM 991 O GLY A 68 7.624 -0.543 -9.347 1.00 0.00 O ATOM 0 H GLY A 68 9.369 -0.074 -6.419 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.201 -2.609 -7.483 1.00 0.00 H new ATOM 0 HA3 GLY A 68 7.911 -1.780 -6.634 1.00 0.00 H new ATOM 995 N VAL A 69 7.312 -2.779 -9.219 1.00 0.00 N ATOM 996 CA VAL A 69 6.531 -2.852 -10.442 1.00 0.00 C ATOM 997 C VAL A 69 5.090 -3.238 -10.100 1.00 0.00 C ATOM 998 O VAL A 69 4.825 -4.372 -9.703 1.00 0.00 O ATOM 999 CB VAL A 69 7.191 -3.819 -11.427 1.00 0.00 C ATOM 1000 CG1 VAL A 69 6.199 -4.269 -12.501 1.00 0.00 C ATOM 1001 CG2 VAL A 69 8.436 -3.193 -12.059 1.00 0.00 C ATOM 0 H VAL A 69 7.451 -3.673 -8.748 1.00 0.00 H new ATOM 0 HA VAL A 69 6.499 -1.880 -10.933 1.00 0.00 H new ATOM 0 HB VAL A 69 7.506 -4.702 -10.870 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.693 -4.956 -13.188 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.355 -4.773 -12.029 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.840 -3.400 -13.052 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.886 -3.901 -12.755 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.155 -2.286 -12.595 1.00 0.00 H new ATOM 0 HG23 VAL A 69 9.155 -2.945 -11.278 1.00 0.00 H new ATOM 1011 N ARG A 70 4.198 -2.274 -10.267 1.00 0.00 N ATOM 1012 CA ARG A 70 2.791 -2.498 -9.981 1.00 0.00 C ATOM 1013 C ARG A 70 2.135 -3.278 -11.122 1.00 0.00 C ATOM 1014 O ARG A 70 2.111 -2.814 -12.261 1.00 0.00 O ATOM 1015 CB ARG A 70 2.050 -1.174 -9.785 1.00 0.00 C ATOM 1016 CG ARG A 70 0.547 -1.405 -9.621 1.00 0.00 C ATOM 1017 CD ARG A 70 -0.252 -0.515 -10.575 1.00 0.00 C ATOM 1018 NE ARG A 70 -0.119 -1.012 -11.963 1.00 0.00 N ATOM 1019 CZ ARG A 70 -0.294 -0.253 -13.053 1.00 0.00 C ATOM 1020 NH1 ARG A 70 -0.610 1.042 -12.924 1.00 0.00 N ATOM 1021 NH2 ARG A 70 -0.153 -0.790 -14.273 1.00 0.00 N ATOM 0 H ARG A 70 4.422 -1.335 -10.597 1.00 0.00 H new ATOM 0 HA ARG A 70 2.729 -3.075 -9.059 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.441 -0.661 -8.906 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.230 -0.523 -10.640 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.313 -2.452 -9.813 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.254 -1.197 -8.592 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -1.302 -0.505 -10.283 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.106 0.513 -10.512 1.00 0.00 H new ATOM 0 HE ARG A 70 0.121 -1.994 -12.098 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -0.717 1.451 -11.996 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -0.743 1.620 -13.754 1.00 0.00 H new ATOM 0 HH21 ARG A 70 0.087 -1.776 -14.371 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.286 -0.212 -15.103 1.00 0.00 H new ATOM 1035 N PHE A 71 1.618 -4.448 -10.777 1.00 0.00 N ATOM 1036 CA PHE A 71 0.964 -5.296 -11.759 1.00 0.00 C ATOM 1037 C PHE A 71 -0.553 -5.099 -11.729 1.00 0.00 C ATOM 1038 O PHE A 71 -1.201 -5.389 -10.724 1.00 0.00 O ATOM 1039 CB PHE A 71 1.285 -6.744 -11.384 1.00 0.00 C ATOM 1040 CG PHE A 71 2.331 -7.402 -12.287 1.00 0.00 C ATOM 1041 CD1 PHE A 71 3.488 -6.748 -12.577 1.00 0.00 C ATOM 1042 CD2 PHE A 71 2.104 -8.642 -12.799 1.00 0.00 C ATOM 1043 CE1 PHE A 71 4.458 -7.359 -13.415 1.00 0.00 C ATOM 1044 CE2 PHE A 71 3.074 -9.253 -13.636 1.00 0.00 C ATOM 1045 CZ PHE A 71 4.231 -8.598 -13.926 1.00 0.00 C ATOM 0 H PHE A 71 1.639 -4.829 -9.831 1.00 0.00 H new ATOM 0 HA PHE A 71 1.317 -5.047 -12.760 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.640 -6.772 -10.354 1.00 0.00 H new ATOM 0 HB3 PHE A 71 0.367 -7.330 -11.421 1.00 0.00 H new ATOM 0 HD1 PHE A 71 3.669 -5.764 -12.170 1.00 0.00 H new ATOM 0 HD2 PHE A 71 1.186 -9.161 -12.569 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.376 -6.839 -13.646 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.894 -10.237 -14.042 1.00 0.00 H new ATOM 0 HZ PHE A 71 4.969 -9.063 -14.563 1.00 0.00 H new ATOM 1055 N ASN A 72 -1.076 -4.607 -12.843 1.00 0.00 N ATOM 1056 CA ASN A 72 -2.505 -4.368 -12.957 1.00 0.00 C ATOM 1057 C ASN A 72 -3.255 -5.689 -12.775 1.00 0.00 C ATOM 1058 O ASN A 72 -4.406 -5.699 -12.342 1.00 0.00 O ATOM 1059 CB ASN A 72 -2.861 -3.808 -14.335 1.00 0.00 C ATOM 1060 CG ASN A 72 -3.311 -2.349 -14.234 1.00 0.00 C ATOM 1061 OD1 ASN A 72 -3.892 -1.918 -13.252 1.00 0.00 O ATOM 1062 ND2 ASN A 72 -3.012 -1.615 -15.302 1.00 0.00 N ATOM 0 H ASN A 72 -0.536 -4.367 -13.674 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.789 -3.647 -12.190 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.997 -3.881 -14.996 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -3.655 -4.407 -14.781 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -3.271 -0.629 -15.332 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -2.524 -2.038 -16.091 1.00 0.00 H new ATOM 1069 N GLN A 73 -2.572 -6.772 -13.116 1.00 0.00 N ATOM 1070 CA GLN A 73 -3.159 -8.096 -12.996 1.00 0.00 C ATOM 1071 C GLN A 73 -2.237 -9.015 -12.192 1.00 0.00 C ATOM 1072 O GLN A 73 -1.024 -9.020 -12.400 1.00 0.00 O ATOM 1073 CB GLN A 73 -3.458 -8.690 -14.374 1.00 0.00 C ATOM 1074 CG GLN A 73 -4.408 -7.787 -15.165 1.00 0.00 C ATOM 1075 CD GLN A 73 -4.557 -8.278 -16.606 1.00 0.00 C ATOM 1076 OE1 GLN A 73 -3.756 -9.047 -17.114 1.00 0.00 O ATOM 1077 NE2 GLN A 73 -5.623 -7.793 -17.235 1.00 0.00 N ATOM 0 H GLN A 73 -1.618 -6.760 -13.475 1.00 0.00 H new ATOM 0 HA GLN A 73 -4.105 -8.005 -12.462 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -2.528 -8.820 -14.928 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -3.901 -9.679 -14.259 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -5.384 -7.767 -14.681 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -4.030 -6.765 -15.162 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -6.253 -7.153 -16.751 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -5.811 -8.061 -18.201 1.00 0.00 H new ATOM 1086 N LEU A 74 -2.846 -9.769 -11.289 1.00 0.00 N ATOM 1087 CA LEU A 74 -2.096 -10.690 -10.453 1.00 0.00 C ATOM 1088 C LEU A 74 -1.679 -11.904 -11.285 1.00 0.00 C ATOM 1089 O LEU A 74 -2.425 -12.350 -12.156 1.00 0.00 O ATOM 1090 CB LEU A 74 -2.895 -11.048 -9.199 1.00 0.00 C ATOM 1091 CG LEU A 74 -2.123 -11.015 -7.878 1.00 0.00 C ATOM 1092 CD1 LEU A 74 -3.077 -10.901 -6.688 1.00 0.00 C ATOM 1093 CD2 LEU A 74 -1.196 -12.226 -7.755 1.00 0.00 C ATOM 0 H LEU A 74 -3.852 -9.761 -11.118 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.180 -10.220 -10.095 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.738 -10.361 -9.121 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.309 -12.048 -9.330 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.494 -10.125 -7.872 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.503 -10.880 -5.762 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.659 -9.984 -6.775 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.750 -11.758 -6.678 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.659 -12.178 -6.808 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.786 -13.141 -7.792 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.481 -12.222 -8.578 1.00 0.00 H new ATOM 1105 N ASN A 75 -0.489 -12.405 -10.988 1.00 0.00 N ATOM 1106 CA ASN A 75 0.035 -13.560 -11.698 1.00 0.00 C ATOM 1107 C ASN A 75 1.457 -13.848 -11.213 1.00 0.00 C ATOM 1108 O ASN A 75 1.941 -13.207 -10.281 1.00 0.00 O ATOM 1109 CB ASN A 75 0.093 -13.300 -13.204 1.00 0.00 C ATOM 1110 CG ASN A 75 1.171 -12.268 -13.542 1.00 0.00 C ATOM 1111 OD1 ASN A 75 2.375 -12.792 -13.751 1.00 0.00 O flip ATOM 1112 ND2 ASN A 75 0.925 -11.075 -13.609 1.00 0.00 N flip ATOM 0 H ASN A 75 0.127 -12.033 -10.266 1.00 0.00 H new ATOM 0 HA ASN A 75 -0.626 -14.405 -11.503 1.00 0.00 H new ATOM 0 HB2 ASN A 75 0.300 -14.232 -13.730 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -0.877 -12.945 -13.553 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -0.023 -10.739 -13.437 1.00 0.00 H new ATOM 0 HD22 ASN A 75 1.667 -10.413 -13.837 1.00 0.00 H new ATOM 1119 N GLU A 76 2.087 -14.813 -11.867 1.00 0.00 N ATOM 1120 CA GLU A 76 3.444 -15.194 -11.515 1.00 0.00 C ATOM 1121 C GLU A 76 4.411 -14.044 -11.804 1.00 0.00 C ATOM 1122 O GLU A 76 5.186 -14.105 -12.757 1.00 0.00 O ATOM 1123 CB GLU A 76 3.867 -16.465 -12.254 1.00 0.00 C ATOM 1124 CG GLU A 76 3.443 -17.716 -11.482 1.00 0.00 C ATOM 1125 CD GLU A 76 4.338 -18.906 -11.833 1.00 0.00 C ATOM 1126 OE1 GLU A 76 4.119 -19.478 -12.923 1.00 0.00 O ATOM 1127 OE2 GLU A 76 5.220 -19.218 -11.004 1.00 0.00 O ATOM 0 H GLU A 76 1.682 -15.343 -12.639 1.00 0.00 H new ATOM 0 HA GLU A 76 3.474 -15.408 -10.447 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.420 -16.478 -13.248 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.948 -16.467 -12.391 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.494 -17.521 -10.411 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.405 -17.956 -11.713 1.00 0.00 H new ATOM 1134 N ASP A 77 4.333 -13.022 -10.964 1.00 0.00 N ATOM 1135 CA ASP A 77 5.192 -11.860 -11.118 1.00 0.00 C ATOM 1136 C ASP A 77 5.140 -11.021 -9.840 1.00 0.00 C ATOM 1137 O ASP A 77 6.178 -10.638 -9.303 1.00 0.00 O ATOM 1138 CB ASP A 77 4.725 -10.981 -12.280 1.00 0.00 C ATOM 1139 CG ASP A 77 5.452 -11.221 -13.605 1.00 0.00 C ATOM 1140 OD1 ASP A 77 6.701 -11.197 -13.579 1.00 0.00 O ATOM 1141 OD2 ASP A 77 4.742 -11.422 -14.613 1.00 0.00 O ATOM 0 H ASP A 77 3.688 -12.975 -10.175 1.00 0.00 H new ATOM 0 HA ASP A 77 6.204 -12.212 -11.316 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.658 -11.144 -12.433 1.00 0.00 H new ATOM 0 HB3 ASP A 77 4.850 -9.936 -11.998 1.00 0.00 H new ATOM 1146 N VAL A 78 3.922 -10.760 -9.390 1.00 0.00 N ATOM 1147 CA VAL A 78 3.722 -9.973 -8.185 1.00 0.00 C ATOM 1148 C VAL A 78 4.281 -10.737 -6.983 1.00 0.00 C ATOM 1149 O VAL A 78 3.671 -11.698 -6.516 1.00 0.00 O ATOM 1150 CB VAL A 78 2.241 -9.618 -8.031 1.00 0.00 C ATOM 1151 CG1 VAL A 78 1.356 -10.630 -8.762 1.00 0.00 C ATOM 1152 CG2 VAL A 78 1.852 -9.514 -6.555 1.00 0.00 C ATOM 0 H VAL A 78 3.063 -11.080 -9.838 1.00 0.00 H new ATOM 0 HA VAL A 78 4.264 -9.029 -8.251 1.00 0.00 H new ATOM 0 HB VAL A 78 2.081 -8.642 -8.488 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.309 -10.355 -8.637 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.606 -10.633 -9.823 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.522 -11.624 -8.348 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.795 -9.261 -6.474 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.035 -10.469 -6.062 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.449 -8.738 -6.075 1.00 0.00 H new ATOM 1162 N THR A 79 5.434 -10.282 -6.517 1.00 0.00 N ATOM 1163 CA THR A 79 6.082 -10.910 -5.379 1.00 0.00 C ATOM 1164 C THR A 79 5.356 -10.546 -4.083 1.00 0.00 C ATOM 1165 O THR A 79 5.573 -11.172 -3.047 1.00 0.00 O ATOM 1166 CB THR A 79 7.556 -10.498 -5.386 1.00 0.00 C ATOM 1167 OG1 THR A 79 7.520 -9.081 -5.237 1.00 0.00 O ATOM 1168 CG2 THR A 79 8.217 -10.713 -6.749 1.00 0.00 C ATOM 0 H THR A 79 5.937 -9.485 -6.907 1.00 0.00 H new ATOM 0 HA THR A 79 6.033 -11.997 -5.448 1.00 0.00 H new ATOM 0 HB THR A 79 8.096 -11.065 -4.628 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.136 -8.853 -4.364 1.00 0.00 H new ATOM 0 HG21 THR A 79 9.261 -10.405 -6.700 1.00 0.00 H new ATOM 0 HG22 THR A 79 8.162 -11.768 -7.018 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.699 -10.119 -7.502 1.00 0.00 H new ATOM 1176 N HIS A 80 4.507 -9.533 -4.183 1.00 0.00 N ATOM 1177 CA HIS A 80 3.747 -9.077 -3.031 1.00 0.00 C ATOM 1178 C HIS A 80 2.365 -8.602 -3.484 1.00 0.00 C ATOM 1179 O HIS A 80 2.235 -7.967 -4.530 1.00 0.00 O ATOM 1180 CB HIS A 80 4.519 -8.005 -2.260 1.00 0.00 C ATOM 1181 CG HIS A 80 5.935 -8.398 -1.912 1.00 0.00 C ATOM 1182 ND1 HIS A 80 6.889 -8.690 -2.872 1.00 0.00 N ATOM 1183 CD2 HIS A 80 6.548 -8.544 -0.703 1.00 0.00 C ATOM 1184 CE1 HIS A 80 8.021 -8.998 -2.255 1.00 0.00 C ATOM 1185 NE2 HIS A 80 7.808 -8.907 -0.911 1.00 0.00 N ATOM 0 H HIS A 80 4.329 -9.015 -5.044 1.00 0.00 H new ATOM 0 HA HIS A 80 3.600 -9.905 -2.337 1.00 0.00 H new ATOM 0 HB2 HIS A 80 4.542 -7.091 -2.854 1.00 0.00 H new ATOM 0 HB3 HIS A 80 3.981 -7.775 -1.341 1.00 0.00 H new ATOM 0 HD2 HIS A 80 6.086 -8.390 0.261 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.950 -9.273 -2.733 1.00 0.00 H new ATOM 0 HE2 HIS A 80 8.502 -9.088 -0.186 1.00 0.00 H new ATOM 1193 N VAL A 81 1.368 -8.927 -2.674 1.00 0.00 N ATOM 1194 CA VAL A 81 0.001 -8.541 -2.978 1.00 0.00 C ATOM 1195 C VAL A 81 -0.475 -7.513 -1.951 1.00 0.00 C ATOM 1196 O VAL A 81 -0.385 -7.745 -0.746 1.00 0.00 O ATOM 1197 CB VAL A 81 -0.892 -9.783 -3.039 1.00 0.00 C ATOM 1198 CG1 VAL A 81 -2.365 -9.393 -3.174 1.00 0.00 C ATOM 1199 CG2 VAL A 81 -0.464 -10.711 -4.178 1.00 0.00 C ATOM 0 H VAL A 81 1.480 -9.453 -1.808 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.053 -8.069 -3.959 1.00 0.00 H new ATOM 0 HB VAL A 81 -0.774 -10.327 -2.102 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.978 -10.294 -3.215 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.662 -8.791 -2.315 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.506 -8.816 -4.088 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.115 -11.585 -4.199 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.539 -10.180 -5.127 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.566 -11.029 -4.020 1.00 0.00 H new ATOM 1209 N ILE A 82 -0.972 -6.397 -2.464 1.00 0.00 N ATOM 1210 CA ILE A 82 -1.462 -5.331 -1.606 1.00 0.00 C ATOM 1211 C ILE A 82 -2.990 -5.285 -1.680 1.00 0.00 C ATOM 1212 O ILE A 82 -3.553 -4.787 -2.653 1.00 0.00 O ATOM 1213 CB ILE A 82 -0.789 -4.005 -1.962 1.00 0.00 C ATOM 1214 CG1 ILE A 82 0.735 -4.141 -1.944 1.00 0.00 C ATOM 1215 CG2 ILE A 82 -1.274 -2.880 -1.045 1.00 0.00 C ATOM 1216 CD1 ILE A 82 1.285 -3.962 -0.528 1.00 0.00 C ATOM 0 H ILE A 82 -1.046 -6.208 -3.464 1.00 0.00 H new ATOM 0 HA ILE A 82 -1.198 -5.526 -0.567 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.077 -3.739 -2.979 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.021 -5.120 -2.328 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.178 -3.397 -2.607 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -0.780 -1.948 -1.320 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.353 -2.764 -1.151 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.036 -3.126 -0.010 1.00 0.00 H new ATOM 0 HD11 ILE A 82 2.370 -4.063 -0.544 1.00 0.00 H new ATOM 0 HD12 ILE A 82 1.018 -2.973 -0.156 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.859 -4.722 0.127 1.00 0.00 H new ATOM 1228 N VAL A 83 -3.617 -5.812 -0.638 1.00 0.00 N ATOM 1229 CA VAL A 83 -5.068 -5.837 -0.573 1.00 0.00 C ATOM 1230 C VAL A 83 -5.562 -4.600 0.180 1.00 0.00 C ATOM 1231 O VAL A 83 -5.225 -4.403 1.347 1.00 0.00 O ATOM 1232 CB VAL A 83 -5.541 -7.148 0.057 1.00 0.00 C ATOM 1233 CG1 VAL A 83 -7.054 -7.133 0.284 1.00 0.00 C ATOM 1234 CG2 VAL A 83 -5.126 -8.348 -0.798 1.00 0.00 C ATOM 0 H VAL A 83 -3.147 -6.225 0.167 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.496 -5.800 -1.575 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.058 -7.246 1.029 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.364 -8.077 0.733 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.314 -6.311 0.951 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.564 -7.000 -0.670 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.474 -9.268 -0.328 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.568 -8.258 -1.790 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.040 -8.374 -0.885 1.00 0.00 H new ATOM 1244 N GLY A 84 -6.352 -3.797 -0.518 1.00 0.00 N ATOM 1245 CA GLY A 84 -6.895 -2.585 0.070 1.00 0.00 C ATOM 1246 C GLY A 84 -8.295 -2.830 0.637 1.00 0.00 C ATOM 1247 O GLY A 84 -8.671 -2.241 1.649 1.00 0.00 O ATOM 0 H GLY A 84 -6.629 -3.963 -1.486 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.234 -2.233 0.862 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.936 -1.798 -0.683 1.00 0.00 H new ATOM 1251 N ASP A 85 -9.029 -3.700 -0.042 1.00 0.00 N ATOM 1252 CA ASP A 85 -10.380 -4.030 0.381 1.00 0.00 C ATOM 1253 C ASP A 85 -10.503 -5.546 0.541 1.00 0.00 C ATOM 1254 O ASP A 85 -10.868 -6.034 1.609 1.00 0.00 O ATOM 1255 CB ASP A 85 -11.408 -3.579 -0.658 1.00 0.00 C ATOM 1256 CG ASP A 85 -11.151 -2.198 -1.265 1.00 0.00 C ATOM 1257 OD1 ASP A 85 -11.341 -1.208 -0.525 1.00 0.00 O ATOM 1258 OD2 ASP A 85 -10.770 -2.163 -2.455 1.00 0.00 O ATOM 0 H ASP A 85 -8.714 -4.186 -0.882 1.00 0.00 H new ATOM 0 HA ASP A 85 -10.573 -3.519 1.324 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.435 -4.314 -1.463 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -12.394 -3.578 -0.194 1.00 0.00 H new ATOM 1263 N TYR A 86 -10.192 -6.250 -0.538 1.00 0.00 N ATOM 1264 CA TYR A 86 -10.263 -7.701 -0.531 1.00 0.00 C ATOM 1265 C TYR A 86 -9.185 -8.308 -1.432 1.00 0.00 C ATOM 1266 O TYR A 86 -8.513 -7.590 -2.170 1.00 0.00 O ATOM 1267 CB TYR A 86 -11.641 -8.059 -1.093 1.00 0.00 C ATOM 1268 CG TYR A 86 -12.755 -8.075 -0.045 1.00 0.00 C ATOM 1269 CD1 TYR A 86 -13.242 -6.888 0.464 1.00 0.00 C ATOM 1270 CD2 TYR A 86 -13.274 -9.277 0.392 1.00 0.00 C ATOM 1271 CE1 TYR A 86 -14.290 -6.904 1.451 1.00 0.00 C ATOM 1272 CE2 TYR A 86 -14.323 -9.293 1.378 1.00 0.00 C ATOM 1273 CZ TYR A 86 -14.779 -8.105 1.859 1.00 0.00 C ATOM 1274 OH TYR A 86 -15.770 -8.120 2.791 1.00 0.00 O ATOM 0 H TYR A 86 -9.890 -5.842 -1.423 1.00 0.00 H new ATOM 0 HA TYR A 86 -10.109 -8.087 0.477 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -11.901 -7.344 -1.874 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -11.586 -9.040 -1.565 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -12.837 -5.947 0.122 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -12.893 -10.206 -0.006 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -14.679 -5.982 1.858 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -14.738 -10.227 1.728 1.00 0.00 H new ATOM 0 HH TYR A 86 -16.022 -9.047 2.986 1.00 0.00 H new ATOM 1284 N ASP A 87 -9.055 -9.623 -1.341 1.00 0.00 N ATOM 1285 CA ASP A 87 -8.070 -10.334 -2.138 1.00 0.00 C ATOM 1286 C ASP A 87 -8.781 -11.358 -3.025 1.00 0.00 C ATOM 1287 O ASP A 87 -8.393 -12.525 -3.066 1.00 0.00 O ATOM 1288 CB ASP A 87 -7.080 -11.087 -1.248 1.00 0.00 C ATOM 1289 CG ASP A 87 -7.717 -12.024 -0.219 1.00 0.00 C ATOM 1290 OD1 ASP A 87 -8.607 -12.798 -0.632 1.00 0.00 O ATOM 1291 OD2 ASP A 87 -7.301 -11.943 0.957 1.00 0.00 O ATOM 0 H ASP A 87 -9.615 -10.215 -0.728 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.530 -9.601 -2.738 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.414 -11.670 -1.884 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.462 -10.360 -0.721 1.00 0.00 H new ATOM 1296 N ASP A 88 -9.810 -10.885 -3.712 1.00 0.00 N ATOM 1297 CA ASP A 88 -10.579 -11.744 -4.596 1.00 0.00 C ATOM 1298 C ASP A 88 -9.647 -12.360 -5.641 1.00 0.00 C ATOM 1299 O ASP A 88 -9.458 -13.575 -5.672 1.00 0.00 O ATOM 1300 CB ASP A 88 -11.659 -10.951 -5.334 1.00 0.00 C ATOM 1301 CG ASP A 88 -12.875 -10.569 -4.487 1.00 0.00 C ATOM 1302 OD1 ASP A 88 -12.752 -9.582 -3.731 1.00 0.00 O ATOM 1303 OD2 ASP A 88 -13.899 -11.274 -4.616 1.00 0.00 O ATOM 0 H ASP A 88 -10.129 -9.917 -3.674 1.00 0.00 H new ATOM 0 HA ASP A 88 -11.051 -12.516 -3.988 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -11.212 -10.040 -5.731 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -12.000 -11.537 -6.187 1.00 0.00 H new ATOM 1308 N GLU A 89 -9.087 -11.492 -6.472 1.00 0.00 N ATOM 1309 CA GLU A 89 -8.179 -11.935 -7.516 1.00 0.00 C ATOM 1310 C GLU A 89 -7.241 -13.019 -6.979 1.00 0.00 C ATOM 1311 O GLU A 89 -7.111 -14.085 -7.578 1.00 0.00 O ATOM 1312 CB GLU A 89 -7.386 -10.759 -8.088 1.00 0.00 C ATOM 1313 CG GLU A 89 -7.791 -10.478 -9.537 1.00 0.00 C ATOM 1314 CD GLU A 89 -8.759 -9.296 -9.616 1.00 0.00 C ATOM 1315 OE1 GLU A 89 -9.727 -9.301 -8.825 1.00 0.00 O ATOM 1316 OE2 GLU A 89 -8.509 -8.413 -10.465 1.00 0.00 O ATOM 0 H GLU A 89 -9.245 -10.485 -6.443 1.00 0.00 H new ATOM 0 HA GLU A 89 -8.769 -12.361 -8.327 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.557 -9.871 -7.480 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.319 -10.978 -8.041 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.903 -10.266 -10.132 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.258 -11.364 -9.966 1.00 0.00 H new ATOM 1323 N LEU A 90 -6.612 -12.708 -5.855 1.00 0.00 N ATOM 1324 CA LEU A 90 -5.690 -13.641 -5.230 1.00 0.00 C ATOM 1325 C LEU A 90 -6.248 -15.061 -5.353 1.00 0.00 C ATOM 1326 O LEU A 90 -5.531 -15.982 -5.742 1.00 0.00 O ATOM 1327 CB LEU A 90 -5.394 -13.219 -3.790 1.00 0.00 C ATOM 1328 CG LEU A 90 -3.970 -13.481 -3.294 1.00 0.00 C ATOM 1329 CD1 LEU A 90 -3.301 -14.589 -4.108 1.00 0.00 C ATOM 1330 CD2 LEU A 90 -3.144 -12.192 -3.293 1.00 0.00 C ATOM 0 H LEU A 90 -6.723 -11.823 -5.361 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.729 -13.629 -5.744 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.600 -12.153 -3.695 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.089 -13.738 -3.130 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.026 -13.829 -2.262 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.290 -14.755 -3.735 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.878 -15.509 -4.014 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.257 -14.294 -5.156 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.136 -12.406 -2.936 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.093 -11.792 -4.306 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.613 -11.460 -2.636 1.00 0.00 H new ATOM 1342 N LYS A 91 -7.522 -15.193 -5.013 1.00 0.00 N ATOM 1343 CA LYS A 91 -8.184 -16.485 -5.080 1.00 0.00 C ATOM 1344 C LYS A 91 -8.050 -17.049 -6.496 1.00 0.00 C ATOM 1345 O LYS A 91 -7.594 -18.177 -6.678 1.00 0.00 O ATOM 1346 CB LYS A 91 -9.631 -16.370 -4.597 1.00 0.00 C ATOM 1347 CG LYS A 91 -9.687 -16.045 -3.103 1.00 0.00 C ATOM 1348 CD LYS A 91 -11.063 -15.500 -2.712 1.00 0.00 C ATOM 1349 CE LYS A 91 -11.132 -15.215 -1.211 1.00 0.00 C ATOM 1350 NZ LYS A 91 -12.380 -15.766 -0.636 1.00 0.00 N ATOM 0 H LYS A 91 -8.113 -14.427 -4.690 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.703 -17.196 -4.408 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.146 -15.592 -5.161 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -10.158 -17.305 -4.789 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.469 -16.942 -2.524 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.918 -15.312 -2.857 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -11.268 -14.586 -3.269 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.835 -16.220 -2.985 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.269 -15.655 -0.711 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.088 -14.140 -1.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -12.411 -15.564 0.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -13.200 -15.327 -1.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -12.407 -16.795 -0.786 1.00 0.00 H new ATOM 1364 N GLN A 92 -8.456 -16.238 -7.462 1.00 0.00 N ATOM 1365 CA GLN A 92 -8.387 -16.643 -8.856 1.00 0.00 C ATOM 1366 C GLN A 92 -6.963 -17.071 -9.215 1.00 0.00 C ATOM 1367 O GLN A 92 -6.758 -18.139 -9.788 1.00 0.00 O ATOM 1368 CB GLN A 92 -8.871 -15.521 -9.777 1.00 0.00 C ATOM 1369 CG GLN A 92 -10.193 -14.934 -9.278 1.00 0.00 C ATOM 1370 CD GLN A 92 -11.303 -15.126 -10.313 1.00 0.00 C ATOM 1371 OE1 GLN A 92 -11.156 -14.814 -11.484 1.00 0.00 O ATOM 1372 NE2 GLN A 92 -12.419 -15.655 -9.819 1.00 0.00 N ATOM 0 H GLN A 92 -8.834 -15.303 -7.307 1.00 0.00 H new ATOM 0 HA GLN A 92 -9.049 -17.497 -8.999 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -8.116 -14.736 -9.827 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -8.999 -15.906 -10.789 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -10.477 -15.413 -8.341 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -10.067 -13.872 -9.067 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -12.476 -15.893 -8.829 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -13.218 -15.822 -10.430 1.00 0.00 H new ATOM 1381 N PHE A 93 -6.015 -16.214 -8.863 1.00 0.00 N ATOM 1382 CA PHE A 93 -4.616 -16.490 -9.141 1.00 0.00 C ATOM 1383 C PHE A 93 -4.190 -17.829 -8.535 1.00 0.00 C ATOM 1384 O PHE A 93 -3.399 -18.560 -9.129 1.00 0.00 O ATOM 1385 CB PHE A 93 -3.801 -15.369 -8.492 1.00 0.00 C ATOM 1386 CG PHE A 93 -2.288 -15.590 -8.541 1.00 0.00 C ATOM 1387 CD1 PHE A 93 -1.662 -15.746 -9.738 1.00 0.00 C ATOM 1388 CD2 PHE A 93 -1.570 -15.632 -7.387 1.00 0.00 C ATOM 1389 CE1 PHE A 93 -0.258 -15.952 -9.783 1.00 0.00 C ATOM 1390 CE2 PHE A 93 -0.166 -15.838 -7.432 1.00 0.00 C ATOM 1391 CZ PHE A 93 0.461 -15.993 -8.629 1.00 0.00 C ATOM 0 H PHE A 93 -6.189 -15.328 -8.388 1.00 0.00 H new ATOM 0 HA PHE A 93 -4.454 -16.541 -10.218 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -4.037 -14.428 -8.989 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -4.109 -15.266 -7.452 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -2.233 -15.713 -10.654 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -2.068 -15.509 -6.436 1.00 0.00 H new ATOM 0 HE1 PHE A 93 0.239 -16.076 -10.734 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.404 -15.872 -6.515 1.00 0.00 H new ATOM 0 HZ PHE A 93 1.529 -16.149 -8.663 1.00 0.00 H new ATOM 1401 N TRP A 94 -4.734 -18.110 -7.360 1.00 0.00 N ATOM 1402 CA TRP A 94 -4.421 -19.349 -6.668 1.00 0.00 C ATOM 1403 C TRP A 94 -5.067 -20.500 -7.442 1.00 0.00 C ATOM 1404 O TRP A 94 -4.758 -21.665 -7.200 1.00 0.00 O ATOM 1405 CB TRP A 94 -4.867 -19.287 -5.206 1.00 0.00 C ATOM 1406 CG TRP A 94 -3.839 -18.649 -4.268 1.00 0.00 C ATOM 1407 CD1 TRP A 94 -2.503 -18.740 -4.324 1.00 0.00 C ATOM 1408 CD2 TRP A 94 -4.120 -17.814 -3.125 1.00 0.00 C ATOM 1409 NE1 TRP A 94 -1.905 -18.027 -3.305 1.00 0.00 N ATOM 1410 CE2 TRP A 94 -2.919 -17.446 -2.553 1.00 0.00 C ATOM 1411 CE3 TRP A 94 -5.348 -17.383 -2.593 1.00 0.00 C ATOM 1412 CZ2 TRP A 94 -2.829 -16.631 -1.419 1.00 0.00 C ATOM 1413 CZ3 TRP A 94 -5.240 -16.569 -1.459 1.00 0.00 C ATOM 1414 CH2 TRP A 94 -4.039 -16.189 -0.871 1.00 0.00 C ATOM 0 H TRP A 94 -5.389 -17.501 -6.870 1.00 0.00 H new ATOM 0 HA TRP A 94 -3.344 -19.512 -6.637 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -5.798 -18.724 -5.145 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -5.082 -20.298 -4.859 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -1.963 -19.301 -5.072 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -0.903 -17.942 -3.135 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -6.299 -17.658 -3.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -1.877 -16.358 -0.989 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -6.154 -16.211 -1.009 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -4.039 -15.556 0.004 1.00 0.00 H new ATOM 1425 N ASN A 95 -5.953 -20.132 -8.356 1.00 0.00 N ATOM 1426 CA ASN A 95 -6.645 -21.119 -9.167 1.00 0.00 C ATOM 1427 C ASN A 95 -6.080 -21.093 -10.588 1.00 0.00 C ATOM 1428 O ASN A 95 -6.610 -21.749 -11.483 1.00 0.00 O ATOM 1429 CB ASN A 95 -8.142 -20.814 -9.247 1.00 0.00 C ATOM 1430 CG ASN A 95 -8.921 -22.022 -9.772 1.00 0.00 C ATOM 1431 OD1 ASN A 95 -8.591 -23.167 -9.511 1.00 0.00 O ATOM 1432 ND2 ASN A 95 -9.970 -21.704 -10.524 1.00 0.00 N ATOM 0 H ASN A 95 -6.207 -19.164 -8.553 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.500 -22.096 -8.706 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -8.514 -20.538 -8.260 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -8.308 -19.958 -9.901 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -10.554 -22.440 -10.921 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -10.191 -20.724 -10.703 1.00 0.00 H new ATOM 1439 N LYS A 96 -5.011 -20.328 -10.751 1.00 0.00 N ATOM 1440 CA LYS A 96 -4.368 -20.207 -12.049 1.00 0.00 C ATOM 1441 C LYS A 96 -2.945 -20.762 -11.961 1.00 0.00 C ATOM 1442 O LYS A 96 -2.665 -21.846 -12.471 1.00 0.00 O ATOM 1443 CB LYS A 96 -4.435 -18.762 -12.548 1.00 0.00 C ATOM 1444 CG LYS A 96 -5.886 -18.306 -12.714 1.00 0.00 C ATOM 1445 CD LYS A 96 -6.068 -17.520 -14.014 1.00 0.00 C ATOM 1446 CE LYS A 96 -7.480 -17.708 -14.574 1.00 0.00 C ATOM 1447 NZ LYS A 96 -8.287 -16.486 -14.363 1.00 0.00 N ATOM 0 H LYS A 96 -4.574 -19.786 -10.006 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.897 -20.801 -12.794 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -3.922 -18.106 -11.844 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -3.912 -18.678 -13.501 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -6.546 -19.174 -12.714 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -6.175 -17.685 -11.866 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -5.883 -16.461 -13.832 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -5.334 -17.851 -14.749 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -7.428 -17.938 -15.638 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -7.961 -18.557 -14.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -9.242 -16.630 -14.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -8.351 -16.284 -13.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -7.836 -15.684 -14.847 1.00 0.00 H new ATOM 1461 N SER A 97 -2.083 -19.994 -11.311 1.00 0.00 N ATOM 1462 CA SER A 97 -0.696 -20.395 -11.150 1.00 0.00 C ATOM 1463 C SER A 97 -0.438 -20.819 -9.703 1.00 0.00 C ATOM 1464 O SER A 97 -1.176 -20.432 -8.798 1.00 0.00 O ATOM 1465 CB SER A 97 0.255 -19.265 -11.549 1.00 0.00 C ATOM 1466 OG SER A 97 0.228 -19.015 -12.952 1.00 0.00 O ATOM 0 H SER A 97 -2.319 -19.096 -10.889 1.00 0.00 H new ATOM 0 HA SER A 97 -0.507 -21.242 -11.810 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.018 -18.356 -11.013 1.00 0.00 H new ATOM 0 HB3 SER A 97 1.270 -19.521 -11.246 1.00 0.00 H new ATOM 0 HG SER A 97 0.719 -18.190 -13.147 1.00 0.00 H new ATOM 1472 N ALA A 98 0.612 -21.609 -9.530 1.00 0.00 N ATOM 1473 CA ALA A 98 0.976 -22.090 -8.208 1.00 0.00 C ATOM 1474 C ALA A 98 2.039 -21.167 -7.609 1.00 0.00 C ATOM 1475 O ALA A 98 3.222 -21.295 -7.916 1.00 0.00 O ATOM 1476 CB ALA A 98 1.452 -23.541 -8.305 1.00 0.00 C ATOM 0 H ALA A 98 1.222 -21.928 -10.283 1.00 0.00 H new ATOM 0 HA ALA A 98 0.112 -22.074 -7.543 1.00 0.00 H new ATOM 0 HB1 ALA A 98 1.725 -23.901 -7.313 1.00 0.00 H new ATOM 0 HB2 ALA A 98 0.651 -24.160 -8.708 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.320 -23.596 -8.963 1.00 0.00 H new ATOM 1482 N HIS A 99 1.577 -20.256 -6.764 1.00 0.00 N ATOM 1483 CA HIS A 99 2.474 -19.311 -6.119 1.00 0.00 C ATOM 1484 C HIS A 99 1.810 -18.752 -4.860 1.00 0.00 C ATOM 1485 O HIS A 99 0.585 -18.662 -4.787 1.00 0.00 O ATOM 1486 CB HIS A 99 2.905 -18.217 -7.098 1.00 0.00 C ATOM 1487 CG HIS A 99 3.503 -17.000 -6.434 1.00 0.00 C ATOM 1488 ND1 HIS A 99 4.632 -17.060 -5.636 1.00 0.00 N ATOM 1489 CD2 HIS A 99 3.118 -15.692 -6.458 1.00 0.00 C ATOM 1490 CE1 HIS A 99 4.905 -15.837 -5.204 1.00 0.00 C ATOM 1491 NE2 HIS A 99 3.965 -14.991 -5.714 1.00 0.00 N ATOM 0 H HIS A 99 0.594 -20.152 -6.511 1.00 0.00 H new ATOM 0 HA HIS A 99 3.386 -19.821 -5.811 1.00 0.00 H new ATOM 0 HB2 HIS A 99 3.633 -18.633 -7.794 1.00 0.00 H new ATOM 0 HB3 HIS A 99 2.041 -17.909 -7.687 1.00 0.00 H new ATOM 0 HD1 HIS A 99 5.164 -17.902 -5.417 1.00 0.00 H new ATOM 0 HD2 HIS A 99 2.268 -15.294 -6.992 1.00 0.00 H new ATOM 0 HE1 HIS A 99 5.727 -15.559 -4.561 1.00 0.00 H new ATOM 1499 N ARG A 100 2.647 -18.390 -3.899 1.00 0.00 N ATOM 1500 CA ARG A 100 2.157 -17.842 -2.646 1.00 0.00 C ATOM 1501 C ARG A 100 2.797 -16.478 -2.377 1.00 0.00 C ATOM 1502 O ARG A 100 3.845 -16.395 -1.740 1.00 0.00 O ATOM 1503 CB ARG A 100 2.463 -18.780 -1.477 1.00 0.00 C ATOM 1504 CG ARG A 100 1.361 -19.829 -1.313 1.00 0.00 C ATOM 1505 CD ARG A 100 0.461 -19.497 -0.121 1.00 0.00 C ATOM 1506 NE ARG A 100 0.349 -20.672 0.772 1.00 0.00 N ATOM 1507 CZ ARG A 100 1.361 -21.159 1.504 1.00 0.00 C ATOM 1508 NH1 ARG A 100 2.565 -20.574 1.454 1.00 0.00 N ATOM 1509 NH2 ARG A 100 1.167 -22.230 2.286 1.00 0.00 N ATOM 0 H ARG A 100 3.662 -18.466 -3.963 1.00 0.00 H new ATOM 0 HA ARG A 100 1.076 -17.730 -2.734 1.00 0.00 H new ATOM 0 HB2 ARG A 100 3.420 -19.275 -1.644 1.00 0.00 H new ATOM 0 HB3 ARG A 100 2.560 -18.202 -0.558 1.00 0.00 H new ATOM 0 HG2 ARG A 100 0.762 -19.878 -2.223 1.00 0.00 H new ATOM 0 HG3 ARG A 100 1.809 -20.813 -1.172 1.00 0.00 H new ATOM 0 HD2 ARG A 100 0.870 -18.650 0.429 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -0.528 -19.202 -0.472 1.00 0.00 H new ATOM 0 HE ARG A 100 -0.555 -21.141 0.834 1.00 0.00 H new ATOM 0 HH11 ARG A 100 2.711 -19.758 0.859 1.00 0.00 H new ATOM 0 HH12 ARG A 100 3.335 -20.944 2.011 1.00 0.00 H new ATOM 0 HH21 ARG A 100 0.250 -22.674 2.324 1.00 0.00 H new ATOM 0 HH22 ARG A 100 1.937 -22.601 2.843 1.00 0.00 H new ATOM 1523 N PRO A 101 2.121 -15.415 -2.889 1.00 0.00 N ATOM 1524 CA PRO A 101 2.612 -14.059 -2.711 1.00 0.00 C ATOM 1525 C PRO A 101 2.366 -13.571 -1.282 1.00 0.00 C ATOM 1526 O PRO A 101 1.938 -14.341 -0.424 1.00 0.00 O ATOM 1527 CB PRO A 101 1.878 -13.234 -3.756 1.00 0.00 C ATOM 1528 CG PRO A 101 0.670 -14.061 -4.166 1.00 0.00 C ATOM 1529 CD PRO A 101 0.876 -15.476 -3.650 1.00 0.00 C ATOM 0 HA PRO A 101 3.691 -13.980 -2.847 1.00 0.00 H new ATOM 0 HB2 PRO A 101 1.572 -12.271 -3.349 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.520 -13.028 -4.613 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -0.243 -13.633 -3.753 1.00 0.00 H new ATOM 0 HG3 PRO A 101 0.559 -14.063 -5.250 1.00 0.00 H new ATOM 0 HD2 PRO A 101 0.043 -15.794 -3.022 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.948 -16.190 -4.470 1.00 0.00 H new ATOM 1537 N HIS A 102 2.647 -12.293 -1.071 1.00 0.00 N ATOM 1538 CA HIS A 102 2.462 -11.693 0.239 1.00 0.00 C ATOM 1539 C HIS A 102 1.208 -10.816 0.229 1.00 0.00 C ATOM 1540 O HIS A 102 1.223 -9.711 -0.312 1.00 0.00 O ATOM 1541 CB HIS A 102 3.716 -10.929 0.669 1.00 0.00 C ATOM 1542 CG HIS A 102 4.924 -11.808 0.890 1.00 0.00 C ATOM 1543 ND1 HIS A 102 4.929 -12.865 1.782 1.00 0.00 N ATOM 1544 CD2 HIS A 102 6.165 -11.775 0.325 1.00 0.00 C ATOM 1545 CE1 HIS A 102 6.125 -13.436 1.748 1.00 0.00 C ATOM 1546 NE2 HIS A 102 6.889 -12.758 0.845 1.00 0.00 N ATOM 0 H HIS A 102 3.001 -11.657 -1.785 1.00 0.00 H new ATOM 0 HA HIS A 102 2.311 -12.475 0.983 1.00 0.00 H new ATOM 0 HB2 HIS A 102 3.955 -10.185 -0.091 1.00 0.00 H new ATOM 0 HB3 HIS A 102 3.501 -10.386 1.589 1.00 0.00 H new ATOM 0 HD2 HIS A 102 6.501 -11.069 -0.419 1.00 0.00 H new ATOM 0 HE1 HIS A 102 6.439 -14.288 2.333 1.00 0.00 H new ATOM 0 HE2 HIS A 102 7.858 -12.971 0.608 1.00 0.00 H new ATOM 1554 N VAL A 103 0.153 -11.341 0.833 1.00 0.00 N ATOM 1555 CA VAL A 103 -1.107 -10.620 0.901 1.00 0.00 C ATOM 1556 C VAL A 103 -1.083 -9.671 2.100 1.00 0.00 C ATOM 1557 O VAL A 103 -1.308 -10.092 3.234 1.00 0.00 O ATOM 1558 CB VAL A 103 -2.274 -11.609 0.944 1.00 0.00 C ATOM 1559 CG1 VAL A 103 -3.616 -10.874 0.928 1.00 0.00 C ATOM 1560 CG2 VAL A 103 -2.185 -12.613 -0.206 1.00 0.00 C ATOM 0 H VAL A 103 0.144 -12.258 1.280 1.00 0.00 H new ATOM 0 HA VAL A 103 -1.247 -10.011 0.008 1.00 0.00 H new ATOM 0 HB VAL A 103 -2.207 -12.165 1.879 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.429 -11.600 0.959 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -3.682 -10.218 1.796 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -3.695 -10.280 0.017 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -3.026 -13.304 -0.152 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.213 -12.081 -1.157 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -1.252 -13.171 -0.130 1.00 0.00 H new ATOM 1570 N VAL A 104 -0.807 -8.408 1.810 1.00 0.00 N ATOM 1571 CA VAL A 104 -0.751 -7.396 2.850 1.00 0.00 C ATOM 1572 C VAL A 104 -1.560 -6.173 2.411 1.00 0.00 C ATOM 1573 O VAL A 104 -2.106 -6.149 1.310 1.00 0.00 O ATOM 1574 CB VAL A 104 0.706 -7.062 3.177 1.00 0.00 C ATOM 1575 CG1 VAL A 104 1.450 -8.298 3.688 1.00 0.00 C ATOM 1576 CG2 VAL A 104 1.416 -6.457 1.964 1.00 0.00 C ATOM 0 H VAL A 104 -0.620 -8.063 0.869 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.200 -7.770 3.770 1.00 0.00 H new ATOM 0 HB VAL A 104 0.708 -6.317 3.972 1.00 0.00 H new ATOM 0 HG11 VAL A 104 2.483 -8.034 3.913 1.00 0.00 H new ATOM 0 HG12 VAL A 104 0.965 -8.667 4.592 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.433 -9.075 2.924 1.00 0.00 H new ATOM 0 HG21 VAL A 104 2.450 -6.229 2.224 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.398 -7.169 1.139 1.00 0.00 H new ATOM 0 HG23 VAL A 104 0.907 -5.541 1.664 1.00 0.00 H new ATOM 1586 N GLY A 105 -1.611 -5.189 3.296 1.00 0.00 N ATOM 1587 CA GLY A 105 -2.345 -3.967 3.014 1.00 0.00 C ATOM 1588 C GLY A 105 -1.392 -2.832 2.631 1.00 0.00 C ATOM 1589 O GLY A 105 -0.262 -2.776 3.113 1.00 0.00 O ATOM 0 H GLY A 105 -1.156 -5.213 4.209 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -3.052 -4.142 2.203 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -2.928 -3.678 3.889 1.00 0.00 H new ATOM 1593 N ALA A 106 -1.884 -1.956 1.766 1.00 0.00 N ATOM 1594 CA ALA A 106 -1.091 -0.827 1.312 1.00 0.00 C ATOM 1595 C ALA A 106 -0.339 -0.226 2.502 1.00 0.00 C ATOM 1596 O ALA A 106 0.802 0.211 2.363 1.00 0.00 O ATOM 1597 CB ALA A 106 -2.001 0.192 0.623 1.00 0.00 C ATOM 0 H ALA A 106 -2.822 -2.006 1.368 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.349 -1.148 0.581 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -1.406 1.039 0.282 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -2.489 -0.276 -0.232 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -2.757 0.539 1.327 1.00 0.00 H new ATOM 1603 N LYS A 107 -1.010 -0.224 3.645 1.00 0.00 N ATOM 1604 CA LYS A 107 -0.419 0.316 4.858 1.00 0.00 C ATOM 1605 C LYS A 107 1.053 -0.093 4.928 1.00 0.00 C ATOM 1606 O LYS A 107 1.922 0.743 5.175 1.00 0.00 O ATOM 1607 CB LYS A 107 -1.234 -0.104 6.083 1.00 0.00 C ATOM 1608 CG LYS A 107 -1.177 0.969 7.173 1.00 0.00 C ATOM 1609 CD LYS A 107 -2.376 0.855 8.116 1.00 0.00 C ATOM 1610 CE LYS A 107 -1.989 1.244 9.544 1.00 0.00 C ATOM 1611 NZ LYS A 107 -3.032 0.809 10.501 1.00 0.00 N ATOM 0 H LYS A 107 -1.956 -0.587 3.757 1.00 0.00 H new ATOM 0 HA LYS A 107 -0.447 1.406 4.844 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -2.270 -0.278 5.793 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -0.850 -1.046 6.474 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -0.252 0.867 7.741 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -1.163 1.958 6.715 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -3.182 1.500 7.765 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -2.757 -0.166 8.104 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -1.034 0.788 9.805 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -1.855 2.324 9.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -2.753 1.081 11.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -3.936 1.264 10.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -3.141 -0.224 10.450 1.00 0.00 H new ATOM 1625 N TRP A 108 1.289 -1.378 4.707 1.00 0.00 N ATOM 1626 CA TRP A 108 2.642 -1.907 4.743 1.00 0.00 C ATOM 1627 C TRP A 108 3.492 -1.099 3.761 1.00 0.00 C ATOM 1628 O TRP A 108 4.447 -0.436 4.161 1.00 0.00 O ATOM 1629 CB TRP A 108 2.651 -3.408 4.447 1.00 0.00 C ATOM 1630 CG TRP A 108 4.036 -3.970 4.123 1.00 0.00 C ATOM 1631 CD1 TRP A 108 4.961 -4.429 4.977 1.00 0.00 C ATOM 1632 CD2 TRP A 108 4.620 -4.116 2.811 1.00 0.00 C ATOM 1633 NE1 TRP A 108 6.093 -4.857 4.315 1.00 0.00 N ATOM 1634 CE2 TRP A 108 5.879 -4.661 2.956 1.00 0.00 C ATOM 1635 CE3 TRP A 108 4.100 -3.798 1.544 1.00 0.00 C ATOM 1636 CZ2 TRP A 108 6.724 -4.936 1.874 1.00 0.00 C ATOM 1637 CZ3 TRP A 108 4.957 -4.079 0.473 1.00 0.00 C ATOM 1638 CH2 TRP A 108 6.228 -4.627 0.602 1.00 0.00 C ATOM 0 H TRP A 108 0.566 -2.068 4.502 1.00 0.00 H new ATOM 0 HA TRP A 108 3.070 -1.804 5.740 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.247 -3.940 5.308 1.00 0.00 H new ATOM 0 HB3 TRP A 108 1.984 -3.606 3.608 1.00 0.00 H new ATOM 0 HD1 TRP A 108 4.836 -4.460 6.049 1.00 0.00 H new ATOM 0 HE1 TRP A 108 6.933 -5.246 4.744 1.00 0.00 H new ATOM 0 HE3 TRP A 108 3.117 -3.371 1.408 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 7.706 -5.364 2.013 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 4.606 -3.854 -0.523 1.00 0.00 H new ATOM 0 HH2 TRP A 108 6.830 -4.813 -0.275 1.00 0.00 H new ATOM 1649 N LEU A 109 3.114 -1.182 2.493 1.00 0.00 N ATOM 1650 CA LEU A 109 3.830 -0.466 1.451 1.00 0.00 C ATOM 1651 C LEU A 109 4.223 0.920 1.967 1.00 0.00 C ATOM 1652 O LEU A 109 5.388 1.307 1.892 1.00 0.00 O ATOM 1653 CB LEU A 109 3.006 -0.432 0.162 1.00 0.00 C ATOM 1654 CG LEU A 109 3.679 -1.021 -1.080 1.00 0.00 C ATOM 1655 CD1 LEU A 109 3.001 -0.523 -2.358 1.00 0.00 C ATOM 1656 CD2 LEU A 109 5.181 -0.732 -1.078 1.00 0.00 C ATOM 0 H LEU A 109 2.322 -1.734 2.164 1.00 0.00 H new ATOM 0 HA LEU A 109 4.754 -0.985 1.198 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.074 -0.970 0.336 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.741 0.604 -0.049 1.00 0.00 H new ATOM 0 HG LEU A 109 3.560 -2.104 -1.053 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.498 -0.956 -3.226 1.00 0.00 H new ATOM 0 HD12 LEU A 109 1.953 -0.821 -2.354 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.069 0.564 -2.406 1.00 0.00 H new ATOM 0 HD21 LEU A 109 5.635 -1.161 -1.971 1.00 0.00 H new ATOM 0 HD22 LEU A 109 5.344 0.346 -1.070 1.00 0.00 H new ATOM 0 HD23 LEU A 109 5.635 -1.174 -0.191 1.00 0.00 H new ATOM 1668 N LEU A 110 3.228 1.629 2.479 1.00 0.00 N ATOM 1669 CA LEU A 110 3.455 2.964 3.007 1.00 0.00 C ATOM 1670 C LEU A 110 4.608 2.921 4.011 1.00 0.00 C ATOM 1671 O LEU A 110 5.640 3.558 3.804 1.00 0.00 O ATOM 1672 CB LEU A 110 2.159 3.539 3.583 1.00 0.00 C ATOM 1673 CG LEU A 110 0.938 3.496 2.662 1.00 0.00 C ATOM 1674 CD1 LEU A 110 -0.300 4.055 3.366 1.00 0.00 C ATOM 1675 CD2 LEU A 110 1.221 4.215 1.342 1.00 0.00 C ATOM 0 H LEU A 110 2.263 1.305 2.540 1.00 0.00 H new ATOM 0 HA LEU A 110 3.752 3.644 2.209 1.00 0.00 H new ATOM 0 HB2 LEU A 110 1.919 2.996 4.497 1.00 0.00 H new ATOM 0 HB3 LEU A 110 2.339 4.576 3.866 1.00 0.00 H new ATOM 0 HG LEU A 110 0.728 2.454 2.422 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.153 4.013 2.689 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -0.512 3.461 4.255 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -0.118 5.090 3.656 1.00 0.00 H new ATOM 0 HD21 LEU A 110 0.337 4.170 0.706 1.00 0.00 H new ATOM 0 HD22 LEU A 110 1.471 5.257 1.542 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.057 3.732 0.836 1.00 0.00 H new ATOM 1687 N GLU A 111 4.395 2.163 5.077 1.00 0.00 N ATOM 1688 CA GLU A 111 5.405 2.029 6.113 1.00 0.00 C ATOM 1689 C GLU A 111 6.772 1.741 5.489 1.00 0.00 C ATOM 1690 O GLU A 111 7.786 2.279 5.931 1.00 0.00 O ATOM 1691 CB GLU A 111 5.020 0.939 7.116 1.00 0.00 C ATOM 1692 CG GLU A 111 3.605 1.163 7.653 1.00 0.00 C ATOM 1693 CD GLU A 111 3.633 1.511 9.143 1.00 0.00 C ATOM 1694 OE1 GLU A 111 4.507 0.950 9.840 1.00 0.00 O ATOM 1695 OE2 GLU A 111 2.781 2.329 9.551 1.00 0.00 O ATOM 0 H GLU A 111 3.538 1.636 5.245 1.00 0.00 H new ATOM 0 HA GLU A 111 5.467 2.972 6.656 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.081 -0.038 6.637 1.00 0.00 H new ATOM 0 HB3 GLU A 111 5.730 0.934 7.943 1.00 0.00 H new ATOM 0 HG2 GLU A 111 3.124 1.968 7.097 1.00 0.00 H new ATOM 0 HG3 GLU A 111 3.006 0.266 7.497 1.00 0.00 H new ATOM 1702 N CYS A 112 6.755 0.894 4.470 1.00 0.00 N ATOM 1703 CA CYS A 112 7.981 0.529 3.781 1.00 0.00 C ATOM 1704 C CYS A 112 8.699 1.814 3.365 1.00 0.00 C ATOM 1705 O CYS A 112 9.893 1.971 3.616 1.00 0.00 O ATOM 1706 CB CYS A 112 7.706 -0.384 2.584 1.00 0.00 C ATOM 1707 SG CYS A 112 6.643 -1.784 3.096 1.00 0.00 S ATOM 0 H CYS A 112 5.912 0.450 4.105 1.00 0.00 H new ATOM 0 HA CYS A 112 8.622 -0.043 4.452 1.00 0.00 H new ATOM 0 HB2 CYS A 112 7.219 0.181 1.789 1.00 0.00 H new ATOM 0 HB3 CYS A 112 8.646 -0.759 2.179 1.00 0.00 H new ATOM 0 HG CYS A 112 6.968 -2.846 2.420 1.00 0.00 H new ATOM 1713 N PHE A 113 7.942 2.700 2.736 1.00 0.00 N ATOM 1714 CA PHE A 113 8.491 3.967 2.282 1.00 0.00 C ATOM 1715 C PHE A 113 8.751 4.905 3.462 1.00 0.00 C ATOM 1716 O PHE A 113 9.826 5.494 3.566 1.00 0.00 O ATOM 1717 CB PHE A 113 7.448 4.603 1.361 1.00 0.00 C ATOM 1718 CG PHE A 113 7.364 3.956 -0.024 1.00 0.00 C ATOM 1719 CD1 PHE A 113 8.318 4.222 -0.957 1.00 0.00 C ATOM 1720 CD2 PHE A 113 6.337 3.117 -0.321 1.00 0.00 C ATOM 1721 CE1 PHE A 113 8.240 3.622 -2.241 1.00 0.00 C ATOM 1722 CE2 PHE A 113 6.259 2.517 -1.606 1.00 0.00 C ATOM 1723 CZ PHE A 113 7.212 2.782 -2.539 1.00 0.00 C ATOM 0 H PHE A 113 6.952 2.566 2.530 1.00 0.00 H new ATOM 0 HA PHE A 113 9.438 3.800 1.769 1.00 0.00 H new ATOM 0 HB2 PHE A 113 6.470 4.542 1.839 1.00 0.00 H new ATOM 0 HB3 PHE A 113 7.680 5.662 1.243 1.00 0.00 H new ATOM 0 HD1 PHE A 113 9.134 4.889 -0.721 1.00 0.00 H new ATOM 0 HD2 PHE A 113 5.580 2.906 0.420 1.00 0.00 H new ATOM 0 HE1 PHE A 113 8.997 3.832 -2.982 1.00 0.00 H new ATOM 0 HE2 PHE A 113 5.443 1.850 -1.842 1.00 0.00 H new ATOM 0 HZ PHE A 113 7.153 2.326 -3.516 1.00 0.00 H new ATOM 1733 N SER A 114 7.749 5.016 4.322 1.00 0.00 N ATOM 1734 CA SER A 114 7.856 5.872 5.490 1.00 0.00 C ATOM 1735 C SER A 114 9.088 5.487 6.311 1.00 0.00 C ATOM 1736 O SER A 114 9.778 6.353 6.845 1.00 0.00 O ATOM 1737 CB SER A 114 6.595 5.787 6.353 1.00 0.00 C ATOM 1738 OG SER A 114 6.412 6.955 7.148 1.00 0.00 O ATOM 0 H SER A 114 6.859 4.527 4.232 1.00 0.00 H new ATOM 0 HA SER A 114 7.962 6.902 5.150 1.00 0.00 H new ATOM 0 HB2 SER A 114 5.725 5.646 5.711 1.00 0.00 H new ATOM 0 HB3 SER A 114 6.658 4.913 7.002 1.00 0.00 H new ATOM 0 HG SER A 114 5.810 6.752 7.894 1.00 0.00 H new ATOM 1744 N LYS A 115 9.326 4.186 6.385 1.00 0.00 N ATOM 1745 CA LYS A 115 10.463 3.674 7.132 1.00 0.00 C ATOM 1746 C LYS A 115 11.727 3.804 6.280 1.00 0.00 C ATOM 1747 O LYS A 115 12.834 3.877 6.812 1.00 0.00 O ATOM 1748 CB LYS A 115 10.190 2.249 7.615 1.00 0.00 C ATOM 1749 CG LYS A 115 8.920 2.192 8.467 1.00 0.00 C ATOM 1750 CD LYS A 115 9.250 2.344 9.953 1.00 0.00 C ATOM 1751 CE LYS A 115 8.782 1.123 10.746 1.00 0.00 C ATOM 1752 NZ LYS A 115 9.648 0.908 11.927 1.00 0.00 N ATOM 0 H LYS A 115 8.751 3.471 5.940 1.00 0.00 H new ATOM 0 HA LYS A 115 10.624 4.265 8.034 1.00 0.00 H new ATOM 0 HB2 LYS A 115 10.087 1.584 6.757 1.00 0.00 H new ATOM 0 HB3 LYS A 115 11.039 1.890 8.197 1.00 0.00 H new ATOM 0 HG2 LYS A 115 8.236 2.983 8.160 1.00 0.00 H new ATOM 0 HG3 LYS A 115 8.408 1.245 8.300 1.00 0.00 H new ATOM 0 HD2 LYS A 115 10.325 2.474 10.079 1.00 0.00 H new ATOM 0 HD3 LYS A 115 8.772 3.242 10.345 1.00 0.00 H new ATOM 0 HE2 LYS A 115 7.750 1.264 11.066 1.00 0.00 H new ATOM 0 HE3 LYS A 115 8.801 0.239 10.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 9.316 0.075 12.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 10.628 0.752 11.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 9.609 1.745 12.543 1.00 0.00 H new ATOM 1766 N GLY A 116 11.520 3.828 4.971 1.00 0.00 N ATOM 1767 CA GLY A 116 12.629 3.947 4.040 1.00 0.00 C ATOM 1768 C GLY A 116 13.123 2.569 3.596 1.00 0.00 C ATOM 1769 O GLY A 116 13.916 2.461 2.662 1.00 0.00 O ATOM 0 H GLY A 116 10.601 3.767 4.534 1.00 0.00 H new ATOM 0 HA2 GLY A 116 12.317 4.523 3.169 1.00 0.00 H new ATOM 0 HA3 GLY A 116 13.445 4.496 4.510 1.00 0.00 H new ATOM 1773 N TYR A 117 12.631 1.549 4.285 1.00 0.00 N ATOM 1774 CA TYR A 117 13.012 0.182 3.973 1.00 0.00 C ATOM 1775 C TYR A 117 11.813 -0.762 4.091 1.00 0.00 C ATOM 1776 O TYR A 117 10.822 -0.433 4.741 1.00 0.00 O ATOM 1777 CB TYR A 117 14.061 -0.212 5.014 1.00 0.00 C ATOM 1778 CG TYR A 117 13.708 0.206 6.442 1.00 0.00 C ATOM 1779 CD1 TYR A 117 12.776 -0.514 7.162 1.00 0.00 C ATOM 1780 CD2 TYR A 117 14.320 1.304 7.011 1.00 0.00 C ATOM 1781 CE1 TYR A 117 12.444 -0.121 8.507 1.00 0.00 C ATOM 1782 CE2 TYR A 117 13.988 1.698 8.356 1.00 0.00 C ATOM 1783 CZ TYR A 117 13.066 0.966 9.037 1.00 0.00 C ATOM 1784 OH TYR A 117 12.752 1.338 10.307 1.00 0.00 O ATOM 0 H TYR A 117 11.972 1.642 5.058 1.00 0.00 H new ATOM 0 HA TYR A 117 13.389 0.112 2.953 1.00 0.00 H new ATOM 0 HB2 TYR A 117 14.197 -1.293 4.986 1.00 0.00 H new ATOM 0 HB3 TYR A 117 15.016 0.237 4.741 1.00 0.00 H new ATOM 0 HD1 TYR A 117 12.296 -1.372 6.716 1.00 0.00 H new ATOM 0 HD2 TYR A 117 15.048 1.868 6.448 1.00 0.00 H new ATOM 0 HE1 TYR A 117 11.718 -0.677 9.082 1.00 0.00 H new ATOM 0 HE2 TYR A 117 14.460 2.555 8.813 1.00 0.00 H new ATOM 0 HH TYR A 117 13.274 2.130 10.554 1.00 0.00 H new ATOM 1794 N MET A 118 11.944 -1.916 3.454 1.00 0.00 N ATOM 1795 CA MET A 118 10.884 -2.909 3.480 1.00 0.00 C ATOM 1796 C MET A 118 10.729 -3.509 4.879 1.00 0.00 C ATOM 1797 O MET A 118 11.714 -3.894 5.506 1.00 0.00 O ATOM 1798 CB MET A 118 11.203 -4.022 2.480 1.00 0.00 C ATOM 1799 CG MET A 118 11.058 -3.524 1.041 1.00 0.00 C ATOM 1800 SD MET A 118 11.737 -4.725 -0.092 1.00 0.00 S ATOM 1801 CE MET A 118 10.357 -5.852 -0.213 1.00 0.00 C ATOM 0 H MET A 118 12.768 -2.186 2.917 1.00 0.00 H new ATOM 0 HA MET A 118 9.948 -2.421 3.208 1.00 0.00 H new ATOM 0 HB2 MET A 118 12.219 -4.382 2.643 1.00 0.00 H new ATOM 0 HB3 MET A 118 10.535 -4.867 2.645 1.00 0.00 H new ATOM 0 HG2 MET A 118 10.007 -3.350 0.812 1.00 0.00 H new ATOM 0 HG3 MET A 118 11.572 -2.570 0.924 1.00 0.00 H new ATOM 0 HE1 MET A 118 10.613 -6.669 -0.888 1.00 0.00 H new ATOM 0 HE2 MET A 118 10.128 -6.254 0.774 1.00 0.00 H new ATOM 0 HE3 MET A 118 9.487 -5.321 -0.599 1.00 0.00 H new ATOM 1811 N LEU A 119 9.483 -3.569 5.327 1.00 0.00 N ATOM 1812 CA LEU A 119 9.186 -4.114 6.641 1.00 0.00 C ATOM 1813 C LEU A 119 8.537 -5.491 6.482 1.00 0.00 C ATOM 1814 O LEU A 119 8.302 -5.944 5.363 1.00 0.00 O ATOM 1815 CB LEU A 119 8.345 -3.128 7.453 1.00 0.00 C ATOM 1816 CG LEU A 119 8.561 -1.646 7.141 1.00 0.00 C ATOM 1817 CD1 LEU A 119 7.418 -0.796 7.699 1.00 0.00 C ATOM 1818 CD2 LEU A 119 9.926 -1.173 7.646 1.00 0.00 C ATOM 0 H LEU A 119 8.668 -3.249 4.804 1.00 0.00 H new ATOM 0 HA LEU A 119 10.104 -4.257 7.210 1.00 0.00 H new ATOM 0 HB2 LEU A 119 7.292 -3.363 7.294 1.00 0.00 H new ATOM 0 HB3 LEU A 119 8.552 -3.290 8.511 1.00 0.00 H new ATOM 0 HG LEU A 119 8.557 -1.521 6.058 1.00 0.00 H new ATOM 0 HD11 LEU A 119 7.596 0.253 7.463 1.00 0.00 H new ATOM 0 HD12 LEU A 119 6.476 -1.114 7.251 1.00 0.00 H new ATOM 0 HD13 LEU A 119 7.366 -0.921 8.781 1.00 0.00 H new ATOM 0 HD21 LEU A 119 10.054 -0.116 7.412 1.00 0.00 H new ATOM 0 HD22 LEU A 119 9.984 -1.315 8.725 1.00 0.00 H new ATOM 0 HD23 LEU A 119 10.713 -1.750 7.161 1.00 0.00 H new ATOM 1830 N SER A 120 8.266 -6.117 7.617 1.00 0.00 N ATOM 1831 CA SER A 120 7.649 -7.432 7.618 1.00 0.00 C ATOM 1832 C SER A 120 6.212 -7.336 7.101 1.00 0.00 C ATOM 1833 O SER A 120 5.526 -6.345 7.346 1.00 0.00 O ATOM 1834 CB SER A 120 7.670 -8.050 9.017 1.00 0.00 C ATOM 1835 OG SER A 120 8.998 -8.237 9.499 1.00 0.00 O ATOM 0 H SER A 120 8.463 -5.738 8.543 1.00 0.00 H new ATOM 0 HA SER A 120 8.224 -8.080 6.956 1.00 0.00 H new ATOM 0 HB2 SER A 120 7.122 -7.407 9.705 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.153 -9.010 8.997 1.00 0.00 H new ATOM 0 HG SER A 120 8.968 -8.632 10.395 1.00 0.00 H new ATOM 1841 N GLU A 121 5.799 -8.379 6.397 1.00 0.00 N ATOM 1842 CA GLU A 121 4.456 -8.425 5.844 1.00 0.00 C ATOM 1843 C GLU A 121 3.522 -9.195 6.780 1.00 0.00 C ATOM 1844 O GLU A 121 2.309 -8.994 6.756 1.00 0.00 O ATOM 1845 CB GLU A 121 4.460 -9.042 4.444 1.00 0.00 C ATOM 1846 CG GLU A 121 4.841 -8.003 3.388 1.00 0.00 C ATOM 1847 CD GLU A 121 6.127 -8.405 2.662 1.00 0.00 C ATOM 1848 OE1 GLU A 121 6.331 -9.627 2.503 1.00 0.00 O ATOM 1849 OE2 GLU A 121 6.877 -7.479 2.283 1.00 0.00 O ATOM 0 H GLU A 121 6.371 -9.199 6.197 1.00 0.00 H new ATOM 0 HA GLU A 121 4.087 -7.403 5.754 1.00 0.00 H new ATOM 0 HB2 GLU A 121 5.164 -9.874 4.411 1.00 0.00 H new ATOM 0 HB3 GLU A 121 3.474 -9.449 4.219 1.00 0.00 H new ATOM 0 HG2 GLU A 121 4.030 -7.898 2.667 1.00 0.00 H new ATOM 0 HG3 GLU A 121 4.975 -7.030 3.861 1.00 0.00 H new ATOM 1856 N GLU A 122 4.124 -10.062 7.582 1.00 0.00 N ATOM 1857 CA GLU A 122 3.361 -10.863 8.524 1.00 0.00 C ATOM 1858 C GLU A 122 2.500 -9.962 9.412 1.00 0.00 C ATOM 1859 O GLU A 122 1.326 -10.248 9.639 1.00 0.00 O ATOM 1860 CB GLU A 122 4.285 -11.743 9.369 1.00 0.00 C ATOM 1861 CG GLU A 122 4.628 -13.041 8.634 1.00 0.00 C ATOM 1862 CD GLU A 122 5.278 -14.052 9.581 1.00 0.00 C ATOM 1863 OE1 GLU A 122 6.324 -13.693 10.163 1.00 0.00 O ATOM 1864 OE2 GLU A 122 4.713 -15.160 9.702 1.00 0.00 O ATOM 0 H GLU A 122 5.130 -10.227 7.599 1.00 0.00 H new ATOM 0 HA GLU A 122 2.701 -11.522 7.960 1.00 0.00 H new ATOM 0 HB2 GLU A 122 5.201 -11.199 9.600 1.00 0.00 H new ATOM 0 HB3 GLU A 122 3.804 -11.975 10.319 1.00 0.00 H new ATOM 0 HG2 GLU A 122 3.723 -13.470 8.204 1.00 0.00 H new ATOM 0 HG3 GLU A 122 5.303 -12.827 7.806 1.00 0.00 H new ATOM 1871 N PRO A 123 3.134 -8.864 9.903 1.00 0.00 N ATOM 1872 CA PRO A 123 2.439 -7.919 10.761 1.00 0.00 C ATOM 1873 C PRO A 123 1.480 -7.046 9.950 1.00 0.00 C ATOM 1874 O PRO A 123 0.832 -6.155 10.498 1.00 0.00 O ATOM 1875 CB PRO A 123 3.539 -7.121 11.440 1.00 0.00 C ATOM 1876 CG PRO A 123 4.786 -7.328 10.596 1.00 0.00 C ATOM 1877 CD PRO A 123 4.525 -8.493 9.656 1.00 0.00 C ATOM 0 HA PRO A 123 1.807 -8.409 11.501 1.00 0.00 H new ATOM 0 HB2 PRO A 123 3.277 -6.065 11.497 1.00 0.00 H new ATOM 0 HB3 PRO A 123 3.697 -7.465 12.462 1.00 0.00 H new ATOM 0 HG2 PRO A 123 5.018 -6.426 10.030 1.00 0.00 H new ATOM 0 HG3 PRO A 123 5.647 -7.536 11.232 1.00 0.00 H new ATOM 0 HD2 PRO A 123 4.679 -8.205 8.616 1.00 0.00 H new ATOM 0 HD3 PRO A 123 5.199 -9.325 9.860 1.00 0.00 H new ATOM 1885 N TYR A 124 1.419 -7.331 8.658 1.00 0.00 N ATOM 1886 CA TYR A 124 0.550 -6.582 7.766 1.00 0.00 C ATOM 1887 C TYR A 124 -0.192 -7.519 6.810 1.00 0.00 C ATOM 1888 O TYR A 124 -0.396 -7.187 5.643 1.00 0.00 O ATOM 1889 CB TYR A 124 1.467 -5.666 6.954 1.00 0.00 C ATOM 1890 CG TYR A 124 2.005 -4.469 7.740 1.00 0.00 C ATOM 1891 CD1 TYR A 124 1.274 -3.300 7.803 1.00 0.00 C ATOM 1892 CD2 TYR A 124 3.221 -4.558 8.386 1.00 0.00 C ATOM 1893 CE1 TYR A 124 1.780 -2.173 8.543 1.00 0.00 C ATOM 1894 CE2 TYR A 124 3.728 -3.431 9.126 1.00 0.00 C ATOM 1895 CZ TYR A 124 2.982 -2.294 9.168 1.00 0.00 C ATOM 1896 OH TYR A 124 3.460 -1.230 9.866 1.00 0.00 O ATOM 0 H TYR A 124 1.957 -8.071 8.207 1.00 0.00 H new ATOM 0 HA TYR A 124 -0.197 -6.028 8.334 1.00 0.00 H new ATOM 0 HB2 TYR A 124 2.308 -6.250 6.580 1.00 0.00 H new ATOM 0 HB3 TYR A 124 0.921 -5.301 6.084 1.00 0.00 H new ATOM 0 HD1 TYR A 124 0.322 -3.230 7.297 1.00 0.00 H new ATOM 0 HD2 TYR A 124 3.793 -5.473 8.337 1.00 0.00 H new ATOM 0 HE1 TYR A 124 1.218 -1.253 8.600 1.00 0.00 H new ATOM 0 HE2 TYR A 124 4.678 -3.487 9.636 1.00 0.00 H new ATOM 0 HH TYR A 124 4.174 -0.796 9.353 1.00 0.00 H new ATOM 1906 N ILE A 125 -0.577 -8.670 7.340 1.00 0.00 N ATOM 1907 CA ILE A 125 -1.292 -9.657 6.549 1.00 0.00 C ATOM 1908 C ILE A 125 -2.777 -9.290 6.505 1.00 0.00 C ATOM 1909 O ILE A 125 -3.295 -8.673 7.434 1.00 0.00 O ATOM 1910 CB ILE A 125 -1.023 -11.067 7.079 1.00 0.00 C ATOM 1911 CG1 ILE A 125 0.472 -11.391 7.040 1.00 0.00 C ATOM 1912 CG2 ILE A 125 -1.854 -12.105 6.323 1.00 0.00 C ATOM 1913 CD1 ILE A 125 0.950 -11.602 5.602 1.00 0.00 C ATOM 0 H ILE A 125 -0.407 -8.942 8.308 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.931 -9.654 5.520 1.00 0.00 H new ATOM 0 HB ILE A 125 -1.334 -11.105 8.123 1.00 0.00 H new ATOM 0 HG12 ILE A 125 1.036 -10.579 7.499 1.00 0.00 H new ATOM 0 HG13 ILE A 125 0.669 -12.288 7.628 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -1.644 -13.098 6.720 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -2.914 -11.882 6.446 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -1.597 -12.075 5.264 1.00 0.00 H new ATOM 0 HD11 ILE A 125 2.016 -11.831 5.603 1.00 0.00 H new ATOM 0 HD12 ILE A 125 0.401 -12.430 5.154 1.00 0.00 H new ATOM 0 HD13 ILE A 125 0.774 -10.695 5.023 1.00 0.00 H new ATOM 1925 N HIS A 126 -3.419 -9.685 5.415 1.00 0.00 N ATOM 1926 CA HIS A 126 -4.834 -9.405 5.238 1.00 0.00 C ATOM 1927 C HIS A 126 -5.627 -10.712 5.298 1.00 0.00 C ATOM 1928 O HIS A 126 -5.588 -11.509 4.362 1.00 0.00 O ATOM 1929 CB HIS A 126 -5.075 -8.624 3.944 1.00 0.00 C ATOM 1930 CG HIS A 126 -6.364 -7.837 3.933 1.00 0.00 C ATOM 1931 ND1 HIS A 126 -7.516 -8.022 3.227 1.00 0.00 N flip ATOM 1932 CD2 HIS A 126 -6.562 -6.713 4.716 1.00 0.00 C flip ATOM 1933 CE1 HIS A 126 -8.371 -7.064 3.561 1.00 0.00 C flip ATOM 1934 NE2 HIS A 126 -7.781 -6.251 4.484 1.00 0.00 N flip ATOM 0 H HIS A 126 -2.986 -10.196 4.646 1.00 0.00 H new ATOM 0 HA HIS A 126 -5.187 -8.769 6.049 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -4.242 -7.940 3.784 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -5.080 -9.321 3.106 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -5.844 -6.285 5.400 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -9.370 -6.947 3.167 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -8.204 -5.431 4.919 1.00 0.00 H new ATOM 1942 N SER A 127 -6.327 -10.891 6.408 1.00 0.00 N ATOM 1943 CA SER A 127 -7.128 -12.088 6.603 1.00 0.00 C ATOM 1944 C SER A 127 -8.613 -11.721 6.651 1.00 0.00 C ATOM 1945 O SER A 127 -8.969 -10.547 6.572 1.00 0.00 O ATOM 1946 CB SER A 127 -6.721 -12.821 7.883 1.00 0.00 C ATOM 1947 OG SER A 127 -7.094 -12.099 9.053 1.00 0.00 O ATOM 0 H SER A 127 -6.356 -10.227 7.182 1.00 0.00 H new ATOM 0 HA SER A 127 -6.952 -12.758 5.762 1.00 0.00 H new ATOM 0 HB2 SER A 127 -7.188 -13.806 7.901 1.00 0.00 H new ATOM 0 HB3 SER A 127 -5.643 -12.979 7.883 1.00 0.00 H new ATOM 0 HG SER A 127 -6.818 -12.600 9.849 1.00 0.00 H new