USER MOD reduce.3.24.130724 H: found=0, std=0, add=1000, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1001 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 113 ASN : amide:sc= -0.0488 K(o=-1.4,f=-2.2) USER MOD Set 1.2: A 116 CYS SG : rot 170:sc= -1.35 USER MOD Set 2.1: A 84 GLN : amide:sc= -0.0181 X(o=-0.038,f=-0.00041) USER MOD Set 2.2: A 87 GLN : amide:sc= -0.0199 X(o=-0.038,f=0) USER MOD Set 3.1: A 38 GLN : amide:sc= -0.399 X(o=-7.5,f=-7.6) USER MOD Set 3.2: A 43 ASN : amide:sc= -7.12! C(o=-7.5!,f=-12!) USER MOD Single : A 20 GLN :FLIP amide:sc= -0.258 F(o=-1.3!,f=-0.26) USER MOD Single : A 24 GLN :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD Single : A 27 THR OG1 : rot -102:sc= 1.2 USER MOD Single : A 28 THR OG1 : rot 87:sc= 0.845 USER MOD Single : A 29 GLN : amide:sc= -1.02 K(o=-1,f=-2!) USER MOD Single : A 30 CYS SG : rot 27:sc= 0.62 USER MOD Single : A 32 LYS NZ :NH3+ -179:sc= -0.404 (180deg=-0.416) USER MOD Single : A 45 GLN :FLIP amide:sc= -2.58! C(o=-3.2!,f=-2.6!) USER MOD Single : A 46 ASN : amide:sc= -0.187 X(o=-0.19,f=-0.33) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.00415 USER MOD Single : A 55 CYS SG : rot 180:sc= -3.49! USER MOD Single : A 59 ASN : amide:sc= -7.22! C(o=-7.2!,f=-9.2!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -3.11! C(o=-3.1!,f=-3.6!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.0472 X(o=-0.047,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 156:sc= -0.0772 (180deg=-0.393) USER MOD Single : A 80 LYS NZ :NH3+ 164:sc= 0.214 (180deg=0.125) USER MOD Single : A 81 GLN : amide:sc= -3.13! C(o=-3.1!,f=-5.3!) USER MOD Single : A 82 MET CE :methyl -132:sc= -3.07 (180deg=-7.48!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.0127 X(o=-0.013,f=-0.27) USER MOD Single : A 95 TYR OH : rot -90:sc= -0.544 USER MOD Single : A 98 ASN : amide:sc= -4.46! C(o=-4.5!,f=-14!) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 MET CE :methyl -131:sc= -1.39 (180deg=-2.77!) USER MOD Single : A 118 GLN :FLIP amide:sc= -2.62! C(o=-3.9!,f=-2.6!) USER MOD Single : A 120 THR OG1 : rot -22:sc= 0.214 USER MOD Single : A 122 MET CE :methyl -129:sc= -1.08 (180deg=-4.99!) USER MOD Single : A 123 ASN : amide:sc= -0.409 X(o=-0.41,f=-0.12) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 141 ASN : amide:sc= -0.128 X(o=-0.13,f=-0.5) USER MOD ----------------------------------------------------------------- ATOM 221 N ASP A 17 -15.669 -2.560 -6.352 1.00 0.00 N ATOM 222 CA ASP A 17 -15.673 -3.095 -4.996 1.00 0.00 C ATOM 223 C ASP A 17 -14.298 -2.954 -4.351 1.00 0.00 C ATOM 224 O ASP A 17 -14.177 -2.485 -3.218 1.00 0.00 O ATOM 225 CB ASP A 17 -16.096 -4.565 -5.007 1.00 0.00 C ATOM 226 CG ASP A 17 -17.281 -4.820 -5.917 1.00 0.00 C ATOM 227 OD1 ASP A 17 -18.406 -4.417 -5.554 1.00 0.00 O ATOM 228 OD2 ASP A 17 -17.084 -5.423 -6.993 1.00 0.00 O ATOM 0 HA ASP A 17 -16.390 -2.522 -4.408 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -15.255 -5.179 -5.329 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -16.347 -4.875 -3.993 1.00 0.00 H new ATOM 233 N LEU A 18 -13.264 -3.362 -5.079 1.00 0.00 N ATOM 234 CA LEU A 18 -11.897 -3.282 -4.578 1.00 0.00 C ATOM 235 C LEU A 18 -11.521 -1.840 -4.249 1.00 0.00 C ATOM 236 O LEU A 18 -10.866 -1.574 -3.242 1.00 0.00 O ATOM 237 CB LEU A 18 -10.921 -3.853 -5.608 1.00 0.00 C ATOM 238 CG LEU A 18 -10.931 -5.373 -5.771 1.00 0.00 C ATOM 239 CD1 LEU A 18 -10.177 -5.781 -7.028 1.00 0.00 C ATOM 240 CD2 LEU A 18 -10.330 -6.045 -4.545 1.00 0.00 C ATOM 0 H LEU A 18 -13.347 -3.751 -6.018 1.00 0.00 H new ATOM 0 HA LEU A 18 -11.836 -3.872 -3.663 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.141 -3.402 -6.576 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.912 -3.544 -5.334 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.966 -5.701 -5.870 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.195 -6.866 -7.127 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.651 -5.329 -7.899 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.144 -5.440 -6.959 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.345 -7.127 -4.679 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.301 -5.710 -4.414 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.913 -5.780 -3.663 1.00 0.00 H new ATOM 252 N GLU A 19 -11.942 -0.915 -5.105 1.00 0.00 N ATOM 253 CA GLU A 19 -11.650 0.500 -4.904 1.00 0.00 C ATOM 254 C GLU A 19 -12.430 1.053 -3.715 1.00 0.00 C ATOM 255 O GLU A 19 -11.911 1.854 -2.938 1.00 0.00 O ATOM 256 CB GLU A 19 -11.989 1.298 -6.165 1.00 0.00 C ATOM 257 CG GLU A 19 -11.923 2.803 -5.969 1.00 0.00 C ATOM 258 CD GLU A 19 -11.983 3.565 -7.279 1.00 0.00 C ATOM 259 OE1 GLU A 19 -13.050 3.548 -7.926 1.00 0.00 O ATOM 260 OE2 GLU A 19 -10.962 4.178 -7.656 1.00 0.00 O ATOM 0 H GLU A 19 -12.486 -1.119 -5.944 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.585 0.598 -4.696 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -11.301 1.013 -6.961 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -12.991 1.027 -6.498 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.748 3.119 -5.331 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.001 3.058 -5.447 1.00 0.00 H new ATOM 267 N GLN A 20 -13.679 0.618 -3.580 1.00 0.00 N ATOM 268 CA GLN A 20 -14.531 1.071 -2.487 1.00 0.00 C ATOM 269 C GLN A 20 -14.011 0.563 -1.146 1.00 0.00 C ATOM 270 O GLN A 20 -13.917 1.320 -0.179 1.00 0.00 O ATOM 271 CB GLN A 20 -15.969 0.596 -2.703 1.00 0.00 C ATOM 272 CG GLN A 20 -16.810 0.609 -1.437 1.00 0.00 C ATOM 273 CD GLN A 20 -17.153 2.013 -0.979 1.00 0.00 C ATOM 274 OE1 GLN A 20 -16.132 2.796 -0.652 1.00 0.00 O flip ATOM 275 NE2 GLN A 20 -18.324 2.390 -0.919 1.00 0.00 N flip ATOM 0 H GLN A 20 -14.123 -0.047 -4.213 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.514 2.161 -2.474 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -16.444 1.230 -3.451 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -15.952 -0.416 -3.108 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -17.731 0.053 -1.611 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -16.271 0.093 -0.642 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -19.078 1.755 -1.180 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -18.539 3.337 -0.608 1.00 0.00 H new ATOM 284 N ILE A 21 -13.675 -0.722 -1.095 1.00 0.00 N ATOM 285 CA ILE A 21 -13.164 -1.329 0.127 1.00 0.00 C ATOM 286 C ILE A 21 -11.813 -0.736 0.513 1.00 0.00 C ATOM 287 O ILE A 21 -11.561 -0.447 1.684 1.00 0.00 O ATOM 288 CB ILE A 21 -13.018 -2.855 -0.021 1.00 0.00 C ATOM 289 CG1 ILE A 21 -14.374 -3.491 -0.336 1.00 0.00 C ATOM 290 CG2 ILE A 21 -12.426 -3.456 1.245 1.00 0.00 C ATOM 291 CD1 ILE A 21 -14.281 -4.946 -0.737 1.00 0.00 C ATOM 0 H ILE A 21 -13.748 -1.362 -1.886 1.00 0.00 H new ATOM 0 HA ILE A 21 -13.889 -1.115 0.912 1.00 0.00 H new ATOM 0 HB ILE A 21 -12.340 -3.062 -0.849 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -15.019 -3.404 0.539 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -14.851 -2.931 -1.140 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -12.329 -4.535 1.125 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -11.443 -3.022 1.429 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -13.081 -3.243 2.090 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -15.279 -5.331 -0.945 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -13.663 -5.038 -1.630 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -13.834 -5.519 0.075 1.00 0.00 H new ATOM 303 N LEU A 22 -10.948 -0.555 -0.478 1.00 0.00 N ATOM 304 CA LEU A 22 -9.622 0.007 -0.244 1.00 0.00 C ATOM 305 C LEU A 22 -9.712 1.292 0.573 1.00 0.00 C ATOM 306 O LEU A 22 -8.991 1.465 1.556 1.00 0.00 O ATOM 307 CB LEU A 22 -8.921 0.283 -1.575 1.00 0.00 C ATOM 308 CG LEU A 22 -8.086 -0.865 -2.145 1.00 0.00 C ATOM 309 CD1 LEU A 22 -7.542 -0.499 -3.517 1.00 0.00 C ATOM 310 CD2 LEU A 22 -6.951 -1.220 -1.196 1.00 0.00 C ATOM 0 H LEU A 22 -11.141 -0.789 -1.452 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.040 -0.721 0.321 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.677 0.556 -2.311 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.272 1.150 -1.448 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.729 -1.738 -2.253 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.951 -1.328 -3.907 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.371 -0.295 -4.194 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.914 0.388 -3.435 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.367 -2.038 -1.617 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.309 -0.351 -1.056 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.363 -1.526 -0.234 1.00 0.00 H new ATOM 322 N ILE A 23 -10.602 2.188 0.160 1.00 0.00 N ATOM 323 CA ILE A 23 -10.788 3.456 0.856 1.00 0.00 C ATOM 324 C ILE A 23 -11.322 3.235 2.267 1.00 0.00 C ATOM 325 O ILE A 23 -10.899 3.901 3.211 1.00 0.00 O ATOM 326 CB ILE A 23 -11.754 4.380 0.092 1.00 0.00 C ATOM 327 CG1 ILE A 23 -11.231 4.645 -1.321 1.00 0.00 C ATOM 328 CG2 ILE A 23 -11.942 5.688 0.846 1.00 0.00 C ATOM 329 CD1 ILE A 23 -12.316 5.016 -2.308 1.00 0.00 C ATOM 0 H ILE A 23 -11.205 2.060 -0.652 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.809 3.933 0.911 1.00 0.00 H new ATOM 0 HB ILE A 23 -12.722 3.885 0.014 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.496 5.449 -1.283 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.713 3.756 -1.680 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.627 6.331 0.294 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -12.354 5.482 1.834 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.980 6.189 0.951 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -11.872 5.190 -3.288 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.039 4.204 -2.376 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -12.819 5.923 -1.972 1.00 0.00 H new ATOM 341 N GLN A 24 -12.251 2.295 2.402 1.00 0.00 N ATOM 342 CA GLN A 24 -12.842 1.985 3.698 1.00 0.00 C ATOM 343 C GLN A 24 -11.780 1.497 4.678 1.00 0.00 C ATOM 344 O GLN A 24 -11.820 1.822 5.865 1.00 0.00 O ATOM 345 CB GLN A 24 -13.936 0.927 3.545 1.00 0.00 C ATOM 346 CG GLN A 24 -15.302 1.508 3.218 1.00 0.00 C ATOM 347 CD GLN A 24 -16.402 0.465 3.246 1.00 0.00 C ATOM 348 OE1 GLN A 24 -16.245 -0.582 2.445 1.00 0.00 O flip ATOM 349 NE2 GLN A 24 -17.382 0.598 3.980 1.00 0.00 N flip ATOM 0 H GLN A 24 -12.611 1.735 1.630 1.00 0.00 H new ATOM 0 HA GLN A 24 -13.284 2.899 4.094 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -13.649 0.230 2.757 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -14.006 0.353 4.469 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -15.537 2.298 3.932 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -15.269 1.970 2.231 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -17.462 1.419 4.580 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -18.113 -0.113 3.988 1.00 0.00 H new ATOM 358 N TRP A 25 -10.832 0.716 4.174 1.00 0.00 N ATOM 359 CA TRP A 25 -9.759 0.182 5.005 1.00 0.00 C ATOM 360 C TRP A 25 -8.725 1.259 5.316 1.00 0.00 C ATOM 361 O TRP A 25 -8.486 1.585 6.479 1.00 0.00 O ATOM 362 CB TRP A 25 -9.087 -1.002 4.308 1.00 0.00 C ATOM 363 CG TRP A 25 -7.837 -1.464 4.995 1.00 0.00 C ATOM 364 CD1 TRP A 25 -7.703 -1.801 6.312 1.00 0.00 C ATOM 365 CD2 TRP A 25 -6.547 -1.639 4.401 1.00 0.00 C ATOM 366 NE1 TRP A 25 -6.406 -2.174 6.572 1.00 0.00 N ATOM 367 CE2 TRP A 25 -5.677 -2.084 5.416 1.00 0.00 C ATOM 368 CE3 TRP A 25 -6.041 -1.464 3.110 1.00 0.00 C ATOM 369 CZ2 TRP A 25 -4.333 -2.355 5.177 1.00 0.00 C ATOM 370 CZ3 TRP A 25 -4.707 -1.734 2.875 1.00 0.00 C ATOM 371 CH2 TRP A 25 -3.865 -2.176 3.904 1.00 0.00 C ATOM 0 H TRP A 25 -10.784 0.438 3.194 1.00 0.00 H new ATOM 0 HA TRP A 25 -10.195 -0.159 5.944 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -9.792 -1.832 4.256 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -8.847 -0.722 3.282 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -8.499 -1.778 7.042 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -6.045 -2.470 7.479 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -6.682 -1.124 2.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -3.682 -2.695 5.969 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -4.306 -1.602 1.881 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -2.827 -2.379 3.688 1.00 0.00 H new ATOM 382 N ILE A 26 -8.114 1.807 4.271 1.00 0.00 N ATOM 383 CA ILE A 26 -7.107 2.847 4.434 1.00 0.00 C ATOM 384 C ILE A 26 -7.561 3.899 5.440 1.00 0.00 C ATOM 385 O ILE A 26 -6.859 4.192 6.409 1.00 0.00 O ATOM 386 CB ILE A 26 -6.789 3.538 3.095 1.00 0.00 C ATOM 387 CG1 ILE A 26 -6.245 2.522 2.088 1.00 0.00 C ATOM 388 CG2 ILE A 26 -5.793 4.669 3.305 1.00 0.00 C ATOM 389 CD1 ILE A 26 -6.345 2.983 0.651 1.00 0.00 C ATOM 0 H ILE A 26 -8.299 1.548 3.302 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.206 2.358 4.804 1.00 0.00 H new ATOM 0 HB ILE A 26 -7.710 3.961 2.694 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -5.201 2.313 2.322 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.790 1.585 2.199 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.579 5.147 2.349 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.215 5.403 3.991 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.871 4.268 3.725 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -5.941 2.214 -0.007 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.390 3.164 0.399 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.776 3.904 0.524 1.00 0.00 H new ATOM 401 N THR A 27 -8.742 4.464 5.206 1.00 0.00 N ATOM 402 CA THR A 27 -9.291 5.482 6.092 1.00 0.00 C ATOM 403 C THR A 27 -9.332 4.992 7.535 1.00 0.00 C ATOM 404 O THR A 27 -9.187 5.776 8.473 1.00 0.00 O ATOM 405 CB THR A 27 -10.711 5.895 5.661 1.00 0.00 C ATOM 406 OG1 THR A 27 -11.523 4.732 5.473 1.00 0.00 O ATOM 407 CG2 THR A 27 -10.671 6.707 4.375 1.00 0.00 C ATOM 0 H THR A 27 -9.336 4.233 4.410 1.00 0.00 H new ATOM 0 HA THR A 27 -8.632 6.348 6.024 1.00 0.00 H new ATOM 0 HB THR A 27 -11.141 6.514 6.449 1.00 0.00 H new ATOM 0 HG1 THR A 27 -11.611 4.546 4.515 1.00 0.00 H new ATOM 0 HG21 THR A 27 -11.685 6.987 4.090 1.00 0.00 H new ATOM 0 HG22 THR A 27 -10.076 7.607 4.531 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.223 6.109 3.581 1.00 0.00 H new ATOM 415 N THR A 28 -9.531 3.689 7.707 1.00 0.00 N ATOM 416 CA THR A 28 -9.592 3.094 9.036 1.00 0.00 C ATOM 417 C THR A 28 -8.197 2.913 9.622 1.00 0.00 C ATOM 418 O THR A 28 -7.887 3.450 10.685 1.00 0.00 O ATOM 419 CB THR A 28 -10.305 1.728 9.007 1.00 0.00 C ATOM 420 OG1 THR A 28 -11.698 1.909 8.725 1.00 0.00 O ATOM 421 CG2 THR A 28 -10.142 1.005 10.336 1.00 0.00 C ATOM 0 H THR A 28 -9.653 3.025 6.942 1.00 0.00 H new ATOM 0 HA THR A 28 -10.161 3.780 9.664 1.00 0.00 H new ATOM 0 HB THR A 28 -9.851 1.122 8.223 1.00 0.00 H new ATOM 0 HG1 THR A 28 -11.836 1.927 7.755 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.653 0.043 10.292 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.083 0.844 10.535 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.573 1.609 11.134 1.00 0.00 H new ATOM 429 N GLN A 29 -7.359 2.155 8.922 1.00 0.00 N ATOM 430 CA GLN A 29 -5.996 1.905 9.375 1.00 0.00 C ATOM 431 C GLN A 29 -5.380 3.166 9.971 1.00 0.00 C ATOM 432 O GLN A 29 -4.923 3.164 11.115 1.00 0.00 O ATOM 433 CB GLN A 29 -5.135 1.402 8.214 1.00 0.00 C ATOM 434 CG GLN A 29 -3.728 1.002 8.630 1.00 0.00 C ATOM 435 CD GLN A 29 -3.712 0.118 9.861 1.00 0.00 C ATOM 436 OE1 GLN A 29 -3.747 0.606 10.991 1.00 0.00 O ATOM 437 NE2 GLN A 29 -3.660 -1.192 9.649 1.00 0.00 N ATOM 0 H GLN A 29 -7.600 1.704 8.040 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.032 1.140 10.150 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -5.626 0.545 7.753 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.073 2.181 7.454 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.245 0.478 7.805 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -3.142 1.900 8.825 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.632 -1.554 8.696 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.648 -1.836 10.440 1.00 0.00 H new ATOM 446 N CYS A 30 -5.372 4.241 9.190 1.00 0.00 N ATOM 447 CA CYS A 30 -4.811 5.509 9.641 1.00 0.00 C ATOM 448 C CYS A 30 -5.683 6.134 10.726 1.00 0.00 C ATOM 449 O CYS A 30 -6.824 6.521 10.473 1.00 0.00 O ATOM 450 CB CYS A 30 -4.670 6.475 8.464 1.00 0.00 C ATOM 451 SG CYS A 30 -6.244 7.001 7.747 1.00 0.00 S ATOM 0 H CYS A 30 -5.748 4.259 8.242 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.824 5.313 10.061 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -4.121 7.357 8.795 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -4.070 6.000 7.688 1.00 0.00 H new ATOM 0 HG CYS A 30 -7.175 6.943 8.653 1.00 0.00 H new ATOM 457 N ARG A 31 -5.138 6.229 11.934 1.00 0.00 N ATOM 458 CA ARG A 31 -5.867 6.804 13.058 1.00 0.00 C ATOM 459 C ARG A 31 -6.392 8.194 12.711 1.00 0.00 C ATOM 460 O ARG A 31 -7.582 8.475 12.861 1.00 0.00 O ATOM 461 CB ARG A 31 -4.966 6.881 14.292 1.00 0.00 C ATOM 462 CG ARG A 31 -5.719 7.174 15.579 1.00 0.00 C ATOM 463 CD ARG A 31 -4.832 7.874 16.597 1.00 0.00 C ATOM 464 NE ARG A 31 -5.288 7.650 17.966 1.00 0.00 N ATOM 465 CZ ARG A 31 -5.287 6.459 18.555 1.00 0.00 C ATOM 466 NH1 ARG A 31 -4.857 5.391 17.898 1.00 0.00 N ATOM 467 NH2 ARG A 31 -5.718 6.335 19.804 1.00 0.00 N ATOM 0 H ARG A 31 -4.194 5.915 12.160 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.717 6.157 13.277 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.432 5.937 14.401 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.216 7.656 14.136 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -6.586 7.798 15.361 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.095 6.242 16.002 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.808 7.515 16.493 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.818 8.944 16.390 1.00 0.00 H new ATOM 0 HE ARG A 31 -5.626 8.451 18.499 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.526 5.482 16.938 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.857 4.478 18.353 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -6.050 7.154 20.313 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.717 5.420 20.255 1.00 0.00 H new ATOM 481 N LYS A 32 -5.498 9.060 12.247 1.00 0.00 N ATOM 482 CA LYS A 32 -5.870 10.421 11.878 1.00 0.00 C ATOM 483 C LYS A 32 -6.787 10.422 10.659 1.00 0.00 C ATOM 484 O LYS A 32 -7.130 9.366 10.127 1.00 0.00 O ATOM 485 CB LYS A 32 -4.619 11.253 11.589 1.00 0.00 C ATOM 486 CG LYS A 32 -3.866 10.809 10.347 1.00 0.00 C ATOM 487 CD LYS A 32 -3.115 11.964 9.707 1.00 0.00 C ATOM 488 CE LYS A 32 -1.945 12.414 10.569 1.00 0.00 C ATOM 489 NZ LYS A 32 -0.871 11.384 10.628 1.00 0.00 N ATOM 0 H LYS A 32 -4.510 8.844 12.117 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.408 10.864 12.716 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.907 12.298 11.475 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -3.950 11.198 12.448 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.163 10.018 10.610 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.567 10.386 9.627 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.750 11.663 8.725 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.796 12.800 9.551 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.536 13.342 10.170 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.298 12.628 11.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.100 11.721 11.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.258 10.500 11.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.504 11.210 9.671 1.00 0.00 H new ATOM 503 N ASP A 33 -7.179 11.613 10.221 1.00 0.00 N ATOM 504 CA ASP A 33 -8.054 11.752 9.062 1.00 0.00 C ATOM 505 C ASP A 33 -7.318 12.415 7.902 1.00 0.00 C ATOM 506 O ASP A 33 -7.549 13.585 7.594 1.00 0.00 O ATOM 507 CB ASP A 33 -9.295 12.568 9.429 1.00 0.00 C ATOM 508 CG ASP A 33 -8.952 13.834 10.189 1.00 0.00 C ATOM 509 OD1 ASP A 33 -8.523 14.815 9.546 1.00 0.00 O ATOM 510 OD2 ASP A 33 -9.113 13.844 11.427 1.00 0.00 O ATOM 0 H ASP A 33 -6.905 12.497 10.651 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.364 10.755 8.749 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.836 12.829 8.520 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.964 11.955 10.033 1.00 0.00 H new ATOM 515 N VAL A 34 -6.430 11.661 7.262 1.00 0.00 N ATOM 516 CA VAL A 34 -5.661 12.175 6.136 1.00 0.00 C ATOM 517 C VAL A 34 -6.532 13.024 5.217 1.00 0.00 C ATOM 518 O VAL A 34 -6.060 13.986 4.611 1.00 0.00 O ATOM 519 CB VAL A 34 -5.032 11.032 5.317 1.00 0.00 C ATOM 520 CG1 VAL A 34 -3.867 10.411 6.073 1.00 0.00 C ATOM 521 CG2 VAL A 34 -6.079 9.982 4.978 1.00 0.00 C ATOM 0 H VAL A 34 -6.226 10.692 7.505 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.866 12.794 6.552 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.649 11.445 4.384 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.436 9.606 5.479 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.108 11.171 6.260 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.222 10.011 7.023 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.618 9.182 4.399 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.494 9.571 5.899 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.877 10.439 4.393 1.00 0.00 H new ATOM 531 N GLY A 35 -7.807 12.662 5.118 1.00 0.00 N ATOM 532 CA GLY A 35 -8.725 13.401 4.271 1.00 0.00 C ATOM 533 C GLY A 35 -9.510 12.499 3.340 1.00 0.00 C ATOM 534 O GLY A 35 -9.266 12.478 2.134 1.00 0.00 O ATOM 0 H GLY A 35 -8.221 11.870 5.609 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.418 13.964 4.896 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.166 14.127 3.682 1.00 0.00 H new ATOM 538 N ARG A 36 -10.453 11.750 3.901 1.00 0.00 N ATOM 539 CA ARG A 36 -11.274 10.838 3.113 1.00 0.00 C ATOM 540 C ARG A 36 -11.905 11.562 1.927 1.00 0.00 C ATOM 541 O ARG A 36 -12.821 12.371 2.077 1.00 0.00 O ATOM 542 CB ARG A 36 -12.367 10.219 3.985 1.00 0.00 C ATOM 543 CG ARG A 36 -13.225 9.198 3.254 1.00 0.00 C ATOM 544 CD ARG A 36 -14.253 8.568 4.181 1.00 0.00 C ATOM 545 NE ARG A 36 -15.489 9.344 4.235 1.00 0.00 N ATOM 546 CZ ARG A 36 -16.407 9.199 5.184 1.00 0.00 C ATOM 547 NH1 ARG A 36 -16.228 8.312 6.154 1.00 0.00 N ATOM 548 NH2 ARG A 36 -17.506 9.942 5.165 1.00 0.00 N ATOM 0 H ARG A 36 -10.668 11.756 4.898 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.629 10.046 2.733 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.904 9.741 4.848 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -13.008 11.013 4.367 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.734 9.680 2.419 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.588 8.420 2.833 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -14.475 7.556 3.842 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.834 8.484 5.184 1.00 0.00 H new ATOM 0 HE ARG A 36 -15.657 10.035 3.504 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.384 7.740 6.172 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.934 8.202 6.882 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -17.647 10.625 4.421 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -18.210 9.830 5.894 1.00 0.00 H new ATOM 562 N PRO A 37 -11.403 11.267 0.718 1.00 0.00 N ATOM 563 CA PRO A 37 -11.902 11.878 -0.517 1.00 0.00 C ATOM 564 C PRO A 37 -13.306 11.401 -0.874 1.00 0.00 C ATOM 565 O PRO A 37 -14.002 10.818 -0.044 1.00 0.00 O ATOM 566 CB PRO A 37 -10.895 11.416 -1.573 1.00 0.00 C ATOM 567 CG PRO A 37 -10.331 10.149 -1.030 1.00 0.00 C ATOM 568 CD PRO A 37 -10.311 10.312 0.465 1.00 0.00 C ATOM 0 HA PRO A 37 -11.984 12.962 -0.432 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.378 11.253 -2.536 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.115 12.161 -1.729 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.941 9.294 -1.321 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -9.328 9.971 -1.417 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -10.480 9.364 0.975 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.353 10.695 0.815 1.00 0.00 H new ATOM 576 N GLN A 38 -13.714 11.653 -2.114 1.00 0.00 N ATOM 577 CA GLN A 38 -15.035 11.249 -2.580 1.00 0.00 C ATOM 578 C GLN A 38 -14.986 9.867 -3.224 1.00 0.00 C ATOM 579 O GLN A 38 -13.965 9.444 -3.767 1.00 0.00 O ATOM 580 CB GLN A 38 -15.582 12.271 -3.578 1.00 0.00 C ATOM 581 CG GLN A 38 -14.813 12.313 -4.889 1.00 0.00 C ATOM 582 CD GLN A 38 -14.833 13.685 -5.533 1.00 0.00 C ATOM 583 OE1 GLN A 38 -15.750 14.475 -5.310 1.00 0.00 O ATOM 584 NE2 GLN A 38 -13.817 13.975 -6.337 1.00 0.00 N ATOM 0 H GLN A 38 -13.149 12.135 -2.813 1.00 0.00 H new ATOM 0 HA GLN A 38 -15.699 11.204 -1.717 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -16.627 12.040 -3.786 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -15.559 13.260 -3.121 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -13.780 12.015 -4.710 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -15.239 11.585 -5.580 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -13.078 13.289 -6.493 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -13.775 14.884 -6.799 1.00 0.00 H new ATOM 593 N PRO A 39 -16.115 9.145 -3.164 1.00 0.00 N ATOM 594 CA PRO A 39 -16.225 7.800 -3.737 1.00 0.00 C ATOM 595 C PRO A 39 -16.200 7.816 -5.262 1.00 0.00 C ATOM 596 O PRO A 39 -17.163 8.234 -5.904 1.00 0.00 O ATOM 597 CB PRO A 39 -17.584 7.310 -3.229 1.00 0.00 C ATOM 598 CG PRO A 39 -18.366 8.552 -2.979 1.00 0.00 C ATOM 599 CD PRO A 39 -17.370 9.586 -2.533 1.00 0.00 C ATOM 0 HA PRO A 39 -15.390 7.162 -3.446 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -18.076 6.674 -3.965 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -17.477 6.720 -2.319 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -18.885 8.874 -3.881 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -19.126 8.387 -2.215 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -17.655 10.586 -2.861 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -17.284 9.619 -1.447 1.00 0.00 H new ATOM 607 N GLY A 40 -15.093 7.356 -5.836 1.00 0.00 N ATOM 608 CA GLY A 40 -14.964 7.326 -7.281 1.00 0.00 C ATOM 609 C GLY A 40 -13.622 6.785 -7.732 1.00 0.00 C ATOM 610 O GLY A 40 -13.048 5.910 -7.083 1.00 0.00 O ATOM 0 H GLY A 40 -14.283 7.003 -5.326 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -15.760 6.711 -7.701 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -15.097 8.333 -7.676 1.00 0.00 H new ATOM 614 N ARG A 41 -13.120 7.305 -8.847 1.00 0.00 N ATOM 615 CA ARG A 41 -11.839 6.866 -9.386 1.00 0.00 C ATOM 616 C ARG A 41 -10.841 8.021 -9.425 1.00 0.00 C ATOM 617 O ARG A 41 -9.733 7.914 -8.901 1.00 0.00 O ATOM 618 CB ARG A 41 -12.022 6.290 -10.791 1.00 0.00 C ATOM 619 CG ARG A 41 -13.128 5.251 -10.883 1.00 0.00 C ATOM 620 CD ARG A 41 -14.469 5.892 -11.206 1.00 0.00 C ATOM 621 NE ARG A 41 -14.426 6.650 -12.454 1.00 0.00 N ATOM 622 CZ ARG A 41 -15.467 7.314 -12.946 1.00 0.00 C ATOM 623 NH1 ARG A 41 -16.624 7.313 -12.299 1.00 0.00 N ATOM 624 NH2 ARG A 41 -15.350 7.981 -14.087 1.00 0.00 N ATOM 0 H ARG A 41 -13.581 8.031 -9.395 1.00 0.00 H new ATOM 0 HA ARG A 41 -11.445 6.089 -8.731 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -12.241 7.104 -11.483 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.084 5.840 -11.115 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -12.879 4.520 -11.652 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -13.200 4.710 -9.939 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -15.233 5.118 -11.278 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.761 6.553 -10.390 1.00 0.00 H new ATOM 0 HE ARG A 41 -13.550 6.671 -12.976 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -16.717 6.802 -11.421 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -17.421 7.823 -12.679 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -14.461 7.984 -14.587 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -16.149 8.490 -14.464 1.00 0.00 H new ATOM 638 N GLU A 42 -11.244 9.123 -10.050 1.00 0.00 N ATOM 639 CA GLU A 42 -10.384 10.296 -10.158 1.00 0.00 C ATOM 640 C GLU A 42 -9.812 10.678 -8.796 1.00 0.00 C ATOM 641 O GLU A 42 -8.612 10.908 -8.658 1.00 0.00 O ATOM 642 CB GLU A 42 -11.164 11.475 -10.745 1.00 0.00 C ATOM 643 CG GLU A 42 -12.438 11.801 -9.984 1.00 0.00 C ATOM 644 CD GLU A 42 -13.424 12.601 -10.812 1.00 0.00 C ATOM 645 OE1 GLU A 42 -13.074 13.726 -11.226 1.00 0.00 O ATOM 646 OE2 GLU A 42 -14.545 12.103 -11.047 1.00 0.00 O ATOM 0 H GLU A 42 -12.159 9.228 -10.489 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.557 10.049 -10.824 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.522 12.356 -10.756 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.417 11.252 -11.782 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.910 10.874 -9.660 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.186 12.362 -9.084 1.00 0.00 H new ATOM 653 N ASN A 43 -10.681 10.744 -7.793 1.00 0.00 N ATOM 654 CA ASN A 43 -10.263 11.100 -6.441 1.00 0.00 C ATOM 655 C ASN A 43 -9.186 10.145 -5.936 1.00 0.00 C ATOM 656 O ASN A 43 -8.033 10.535 -5.751 1.00 0.00 O ATOM 657 CB ASN A 43 -11.463 11.080 -5.492 1.00 0.00 C ATOM 658 CG ASN A 43 -12.485 10.027 -5.874 1.00 0.00 C ATOM 659 OD1 ASN A 43 -12.316 8.845 -5.575 1.00 0.00 O ATOM 660 ND2 ASN A 43 -13.553 10.453 -6.539 1.00 0.00 N ATOM 0 H ASN A 43 -11.679 10.556 -7.890 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.847 12.107 -6.469 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.116 10.894 -4.476 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.939 12.061 -5.492 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -14.275 9.790 -6.823 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -13.651 11.443 -6.766 1.00 0.00 H new ATOM 667 N PHE A 44 -9.570 8.892 -5.716 1.00 0.00 N ATOM 668 CA PHE A 44 -8.637 7.880 -5.232 1.00 0.00 C ATOM 669 C PHE A 44 -7.245 8.100 -5.817 1.00 0.00 C ATOM 670 O PHE A 44 -6.265 8.221 -5.082 1.00 0.00 O ATOM 671 CB PHE A 44 -9.138 6.480 -5.592 1.00 0.00 C ATOM 672 CG PHE A 44 -8.439 5.382 -4.843 1.00 0.00 C ATOM 673 CD1 PHE A 44 -8.686 5.179 -3.495 1.00 0.00 C ATOM 674 CD2 PHE A 44 -7.534 4.554 -5.487 1.00 0.00 C ATOM 675 CE1 PHE A 44 -8.044 4.169 -2.803 1.00 0.00 C ATOM 676 CE2 PHE A 44 -6.889 3.542 -4.800 1.00 0.00 C ATOM 677 CZ PHE A 44 -7.144 3.350 -3.456 1.00 0.00 C ATOM 0 H PHE A 44 -10.520 8.553 -5.865 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.575 7.968 -4.147 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -10.208 6.423 -5.390 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -9.006 6.320 -6.662 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -9.388 5.817 -2.979 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.330 4.701 -6.537 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -8.246 4.021 -1.753 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -6.187 2.902 -5.314 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.641 2.561 -2.917 1.00 0.00 H new ATOM 687 N GLN A 45 -7.167 8.150 -7.143 1.00 0.00 N ATOM 688 CA GLN A 45 -5.895 8.354 -7.826 1.00 0.00 C ATOM 689 C GLN A 45 -5.138 9.535 -7.226 1.00 0.00 C ATOM 690 O GLN A 45 -3.926 9.471 -7.028 1.00 0.00 O ATOM 691 CB GLN A 45 -6.126 8.587 -9.320 1.00 0.00 C ATOM 692 CG GLN A 45 -4.860 8.483 -10.154 1.00 0.00 C ATOM 693 CD GLN A 45 -4.906 9.353 -11.396 1.00 0.00 C ATOM 694 OE1 GLN A 45 -3.923 10.233 -11.539 1.00 0.00 O flip ATOM 695 NE2 GLN A 45 -5.816 9.235 -12.217 1.00 0.00 N flip ATOM 0 H GLN A 45 -7.969 8.052 -7.765 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.293 7.455 -7.695 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.852 7.860 -9.685 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -6.565 9.575 -9.462 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -4.003 8.771 -9.545 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -4.707 7.445 -10.448 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -6.552 8.545 -12.067 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -5.834 9.827 -13.047 1.00 0.00 H new ATOM 704 N ASN A 46 -5.863 10.611 -6.938 1.00 0.00 N ATOM 705 CA ASN A 46 -5.259 11.807 -6.362 1.00 0.00 C ATOM 706 C ASN A 46 -4.987 11.615 -4.873 1.00 0.00 C ATOM 707 O ASN A 46 -4.037 12.177 -4.328 1.00 0.00 O ATOM 708 CB ASN A 46 -6.172 13.017 -6.573 1.00 0.00 C ATOM 709 CG ASN A 46 -6.226 13.453 -8.025 1.00 0.00 C ATOM 710 OD1 ASN A 46 -5.262 14.003 -8.556 1.00 0.00 O ATOM 711 ND2 ASN A 46 -7.359 13.209 -8.673 1.00 0.00 N ATOM 0 H ASN A 46 -6.869 10.679 -7.094 1.00 0.00 H new ATOM 0 HA ASN A 46 -4.310 11.984 -6.867 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -7.178 12.774 -6.232 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -5.819 13.846 -5.960 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -7.455 13.480 -9.652 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -8.133 12.750 -8.192 1.00 0.00 H new ATOM 718 N TRP A 47 -5.827 10.819 -4.222 1.00 0.00 N ATOM 719 CA TRP A 47 -5.677 10.552 -2.796 1.00 0.00 C ATOM 720 C TRP A 47 -4.280 10.027 -2.484 1.00 0.00 C ATOM 721 O TRP A 47 -3.648 10.451 -1.516 1.00 0.00 O ATOM 722 CB TRP A 47 -6.729 9.544 -2.331 1.00 0.00 C ATOM 723 CG TRP A 47 -6.944 9.551 -0.848 1.00 0.00 C ATOM 724 CD1 TRP A 47 -6.849 10.626 -0.011 1.00 0.00 C ATOM 725 CD2 TRP A 47 -7.288 8.430 -0.026 1.00 0.00 C ATOM 726 NE1 TRP A 47 -7.113 10.241 1.282 1.00 0.00 N ATOM 727 CE2 TRP A 47 -7.386 8.899 1.299 1.00 0.00 C ATOM 728 CE3 TRP A 47 -7.524 7.077 -0.281 1.00 0.00 C ATOM 729 CZ2 TRP A 47 -7.709 8.060 2.362 1.00 0.00 C ATOM 730 CZ3 TRP A 47 -7.844 6.246 0.776 1.00 0.00 C ATOM 731 CH2 TRP A 47 -7.935 6.740 2.084 1.00 0.00 C ATOM 0 H TRP A 47 -6.619 10.347 -4.658 1.00 0.00 H new ATOM 0 HA TRP A 47 -5.821 11.490 -2.260 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -7.674 9.760 -2.829 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -6.426 8.544 -2.642 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -6.603 11.631 -0.320 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -7.107 10.855 2.096 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.458 6.687 -1.286 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -7.779 8.438 3.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -8.027 5.198 0.591 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -8.189 6.065 2.888 1.00 0.00 H new ATOM 742 N LEU A 48 -3.802 9.102 -3.310 1.00 0.00 N ATOM 743 CA LEU A 48 -2.478 8.519 -3.123 1.00 0.00 C ATOM 744 C LEU A 48 -1.436 9.254 -3.959 1.00 0.00 C ATOM 745 O LEU A 48 -0.243 9.216 -3.658 1.00 0.00 O ATOM 746 CB LEU A 48 -2.495 7.036 -3.496 1.00 0.00 C ATOM 747 CG LEU A 48 -3.777 6.273 -3.159 1.00 0.00 C ATOM 748 CD1 LEU A 48 -3.624 4.798 -3.494 1.00 0.00 C ATOM 749 CD2 LEU A 48 -4.135 6.455 -1.691 1.00 0.00 C ATOM 0 H LEU A 48 -4.312 8.740 -4.116 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.209 8.620 -2.071 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.316 6.950 -4.568 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.662 6.546 -2.993 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.588 6.679 -3.763 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.546 4.271 -3.247 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.416 4.686 -4.558 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.800 4.377 -2.917 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.050 5.905 -1.469 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.324 6.076 -1.069 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.288 7.514 -1.482 1.00 0.00 H new ATOM 761 N LYS A 49 -1.895 9.925 -5.010 1.00 0.00 N ATOM 762 CA LYS A 49 -1.004 10.673 -5.889 1.00 0.00 C ATOM 763 C LYS A 49 0.057 11.417 -5.084 1.00 0.00 C ATOM 764 O LYS A 49 1.237 11.407 -5.436 1.00 0.00 O ATOM 765 CB LYS A 49 -1.804 11.665 -6.737 1.00 0.00 C ATOM 766 CG LYS A 49 -0.939 12.684 -7.459 1.00 0.00 C ATOM 767 CD LYS A 49 -0.738 13.937 -6.623 1.00 0.00 C ATOM 768 CE LYS A 49 0.247 14.892 -7.280 1.00 0.00 C ATOM 769 NZ LYS A 49 -0.376 15.647 -8.402 1.00 0.00 N ATOM 0 H LYS A 49 -2.879 9.966 -5.274 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.504 9.962 -6.547 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.390 11.112 -7.472 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.511 12.191 -6.096 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.030 12.241 -7.691 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.404 12.950 -8.408 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.695 14.439 -6.482 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.374 13.661 -5.633 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.624 15.593 -6.536 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.104 14.330 -7.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.328 16.287 -8.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.713 14.979 -9.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.178 16.203 -8.043 1.00 0.00 H new ATOM 783 N ASP A 50 -0.370 12.058 -4.002 1.00 0.00 N ATOM 784 CA ASP A 50 0.544 12.805 -3.145 1.00 0.00 C ATOM 785 C ASP A 50 1.567 11.874 -2.500 1.00 0.00 C ATOM 786 O ASP A 50 2.753 12.191 -2.432 1.00 0.00 O ATOM 787 CB ASP A 50 -0.235 13.555 -2.064 1.00 0.00 C ATOM 788 CG ASP A 50 -1.389 12.742 -1.512 1.00 0.00 C ATOM 789 OD1 ASP A 50 -1.128 11.736 -0.817 1.00 0.00 O ATOM 790 OD2 ASP A 50 -2.553 13.110 -1.773 1.00 0.00 O ATOM 0 H ASP A 50 -1.343 12.076 -3.697 1.00 0.00 H new ATOM 0 HA ASP A 50 1.076 13.527 -3.765 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.441 13.819 -1.251 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.617 14.488 -2.477 1.00 0.00 H new ATOM 795 N GLY A 51 1.096 10.724 -2.026 1.00 0.00 N ATOM 796 CA GLY A 51 1.982 9.766 -1.391 1.00 0.00 C ATOM 797 C GLY A 51 1.810 9.726 0.114 1.00 0.00 C ATOM 798 O GLY A 51 1.783 8.652 0.716 1.00 0.00 O ATOM 0 H GLY A 51 0.118 10.439 -2.071 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.794 8.774 -1.802 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.015 10.018 -1.629 1.00 0.00 H new ATOM 802 N THR A 52 1.696 10.900 0.727 1.00 0.00 N ATOM 803 CA THR A 52 1.529 10.996 2.171 1.00 0.00 C ATOM 804 C THR A 52 0.569 9.929 2.686 1.00 0.00 C ATOM 805 O THR A 52 0.865 9.227 3.652 1.00 0.00 O ATOM 806 CB THR A 52 1.005 12.384 2.586 1.00 0.00 C ATOM 807 OG1 THR A 52 0.173 12.922 1.553 1.00 0.00 O ATOM 808 CG2 THR A 52 2.159 13.337 2.862 1.00 0.00 C ATOM 0 H THR A 52 1.716 11.799 0.245 1.00 0.00 H new ATOM 0 HA THR A 52 2.513 10.840 2.613 1.00 0.00 H new ATOM 0 HB THR A 52 0.422 12.270 3.500 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.158 13.804 1.825 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.765 14.311 3.153 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.775 12.939 3.668 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.765 13.445 1.962 1.00 0.00 H new ATOM 816 N VAL A 53 -0.583 9.813 2.033 1.00 0.00 N ATOM 817 CA VAL A 53 -1.587 8.829 2.424 1.00 0.00 C ATOM 818 C VAL A 53 -0.998 7.423 2.447 1.00 0.00 C ATOM 819 O VAL A 53 -1.210 6.666 3.395 1.00 0.00 O ATOM 820 CB VAL A 53 -2.796 8.852 1.470 1.00 0.00 C ATOM 821 CG1 VAL A 53 -3.812 7.794 1.870 1.00 0.00 C ATOM 822 CG2 VAL A 53 -3.432 10.234 1.450 1.00 0.00 C ATOM 0 H VAL A 53 -0.844 10.387 1.232 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.920 9.097 3.427 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.447 8.623 0.463 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.659 7.825 1.185 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.347 6.809 1.828 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.159 7.988 2.885 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.285 10.232 0.771 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.768 10.494 2.454 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.700 10.967 1.111 1.00 0.00 H new ATOM 832 N LEU A 54 -0.259 7.080 1.398 1.00 0.00 N ATOM 833 CA LEU A 54 0.362 5.764 1.298 1.00 0.00 C ATOM 834 C LEU A 54 1.269 5.497 2.494 1.00 0.00 C ATOM 835 O LEU A 54 1.427 4.353 2.924 1.00 0.00 O ATOM 836 CB LEU A 54 1.164 5.654 0.000 1.00 0.00 C ATOM 837 CG LEU A 54 0.347 5.532 -1.286 1.00 0.00 C ATOM 838 CD1 LEU A 54 1.181 5.941 -2.490 1.00 0.00 C ATOM 839 CD2 LEU A 54 -0.175 4.112 -1.454 1.00 0.00 C ATOM 0 H LEU A 54 -0.075 7.695 0.605 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.430 5.015 1.293 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.805 6.532 -0.083 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.819 4.786 0.074 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.507 6.206 -1.216 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.582 5.847 -3.396 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.505 6.975 -2.374 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.055 5.294 -2.564 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.754 4.044 -2.375 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.665 3.419 -1.502 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.810 3.855 -0.606 1.00 0.00 H new ATOM 851 N CYS A 55 1.862 6.558 3.029 1.00 0.00 N ATOM 852 CA CYS A 55 2.753 6.439 4.177 1.00 0.00 C ATOM 853 C CYS A 55 1.975 6.059 5.433 1.00 0.00 C ATOM 854 O CYS A 55 2.312 5.092 6.114 1.00 0.00 O ATOM 855 CB CYS A 55 3.503 7.752 4.406 1.00 0.00 C ATOM 856 SG CYS A 55 4.542 8.261 3.016 1.00 0.00 S ATOM 0 H CYS A 55 1.742 7.511 2.686 1.00 0.00 H new ATOM 0 HA CYS A 55 3.474 5.649 3.965 1.00 0.00 H new ATOM 0 HB2 CYS A 55 2.779 8.540 4.612 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.127 7.652 5.294 1.00 0.00 H new ATOM 0 HG CYS A 55 5.133 9.383 3.304 1.00 0.00 H new ATOM 862 N GLU A 56 0.932 6.828 5.732 1.00 0.00 N ATOM 863 CA GLU A 56 0.108 6.573 6.907 1.00 0.00 C ATOM 864 C GLU A 56 -0.325 5.110 6.960 1.00 0.00 C ATOM 865 O GLU A 56 -0.506 4.544 8.039 1.00 0.00 O ATOM 866 CB GLU A 56 -1.124 7.480 6.900 1.00 0.00 C ATOM 867 CG GLU A 56 -0.897 8.820 7.581 1.00 0.00 C ATOM 868 CD GLU A 56 -0.560 8.676 9.053 1.00 0.00 C ATOM 869 OE1 GLU A 56 -1.484 8.411 9.850 1.00 0.00 O ATOM 870 OE2 GLU A 56 0.628 8.827 9.407 1.00 0.00 O ATOM 0 H GLU A 56 0.638 7.632 5.177 1.00 0.00 H new ATOM 0 HA GLU A 56 0.705 6.790 7.792 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.431 7.653 5.869 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.947 6.965 7.395 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.087 9.347 7.077 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.792 9.434 7.475 1.00 0.00 H new ATOM 877 N LEU A 57 -0.489 4.505 5.789 1.00 0.00 N ATOM 878 CA LEU A 57 -0.901 3.108 5.701 1.00 0.00 C ATOM 879 C LEU A 57 0.194 2.184 6.221 1.00 0.00 C ATOM 880 O LEU A 57 0.076 1.614 7.306 1.00 0.00 O ATOM 881 CB LEU A 57 -1.245 2.748 4.255 1.00 0.00 C ATOM 882 CG LEU A 57 -1.784 1.336 4.025 1.00 0.00 C ATOM 883 CD1 LEU A 57 -3.041 1.104 4.849 1.00 0.00 C ATOM 884 CD2 LEU A 57 -2.064 1.105 2.547 1.00 0.00 C ATOM 0 H LEU A 57 -0.343 4.959 4.887 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.787 2.976 6.322 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.984 3.461 3.890 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.350 2.877 3.647 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.026 0.622 4.346 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.410 0.094 4.673 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.810 1.226 5.907 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.805 1.826 4.559 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.447 0.095 2.403 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.804 1.826 2.200 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.142 1.228 1.978 1.00 0.00 H new ATOM 896 N ILE A 58 1.260 2.041 5.441 1.00 0.00 N ATOM 897 CA ILE A 58 2.378 1.188 5.825 1.00 0.00 C ATOM 898 C ILE A 58 2.895 1.551 7.213 1.00 0.00 C ATOM 899 O ILE A 58 3.367 0.690 7.955 1.00 0.00 O ATOM 900 CB ILE A 58 3.537 1.290 4.815 1.00 0.00 C ATOM 901 CG1 ILE A 58 4.530 0.145 5.028 1.00 0.00 C ATOM 902 CG2 ILE A 58 4.235 2.635 4.944 1.00 0.00 C ATOM 903 CD1 ILE A 58 4.140 -1.133 4.319 1.00 0.00 C ATOM 0 H ILE A 58 1.373 2.505 4.540 1.00 0.00 H new ATOM 0 HA ILE A 58 2.005 0.164 5.835 1.00 0.00 H new ATOM 0 HB ILE A 58 3.130 1.210 3.807 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.514 0.459 4.679 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.619 -0.054 6.096 1.00 0.00 H new ATOM 0 HG21 ILE A 58 5.051 2.692 4.224 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.522 3.435 4.748 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.633 2.743 5.953 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.889 -1.901 4.514 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.170 -1.471 4.685 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.079 -0.950 3.246 1.00 0.00 H new ATOM 915 N ASN A 59 2.801 2.831 7.557 1.00 0.00 N ATOM 916 CA ASN A 59 3.259 3.308 8.857 1.00 0.00 C ATOM 917 C ASN A 59 2.385 2.753 9.978 1.00 0.00 C ATOM 918 O ASN A 59 2.889 2.310 11.010 1.00 0.00 O ATOM 919 CB ASN A 59 3.246 4.838 8.896 1.00 0.00 C ATOM 920 CG ASN A 59 4.518 5.441 8.332 1.00 0.00 C ATOM 921 OD1 ASN A 59 5.623 5.018 8.674 1.00 0.00 O ATOM 922 ND2 ASN A 59 4.368 6.434 7.464 1.00 0.00 N ATOM 0 H ASN A 59 2.412 3.556 6.954 1.00 0.00 H new ATOM 0 HA ASN A 59 4.280 2.956 9.007 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.390 5.206 8.330 1.00 0.00 H new ATOM 0 HB3 ASN A 59 3.114 5.171 9.925 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.188 6.879 7.051 1.00 0.00 H new ATOM 0 HD22 ASN A 59 3.433 6.752 7.210 1.00 0.00 H new ATOM 929 N ALA A 60 1.073 2.780 9.768 1.00 0.00 N ATOM 930 CA ALA A 60 0.130 2.278 10.759 1.00 0.00 C ATOM 931 C ALA A 60 0.414 0.818 11.097 1.00 0.00 C ATOM 932 O ALA A 60 0.251 0.392 12.241 1.00 0.00 O ATOM 933 CB ALA A 60 -1.298 2.437 10.257 1.00 0.00 C ATOM 0 H ALA A 60 0.639 3.144 8.920 1.00 0.00 H new ATOM 0 HA ALA A 60 0.251 2.865 11.669 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.992 2.058 11.007 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.504 3.491 10.073 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.423 1.876 9.331 1.00 0.00 H new ATOM 939 N LEU A 61 0.840 0.056 10.095 1.00 0.00 N ATOM 940 CA LEU A 61 1.146 -1.357 10.286 1.00 0.00 C ATOM 941 C LEU A 61 2.298 -1.537 11.270 1.00 0.00 C ATOM 942 O LEU A 61 2.095 -1.961 12.408 1.00 0.00 O ATOM 943 CB LEU A 61 1.498 -2.008 8.947 1.00 0.00 C ATOM 944 CG LEU A 61 0.383 -2.040 7.902 1.00 0.00 C ATOM 945 CD1 LEU A 61 0.934 -2.449 6.545 1.00 0.00 C ATOM 946 CD2 LEU A 61 -0.728 -2.985 8.336 1.00 0.00 C ATOM 0 H LEU A 61 0.981 0.393 9.143 1.00 0.00 H new ATOM 0 HA LEU A 61 0.261 -1.842 10.698 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.351 -1.479 8.522 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.820 -3.032 9.137 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.035 -1.037 7.814 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.125 -2.466 5.814 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.693 -1.733 6.230 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.379 -3.441 6.617 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.513 -2.995 7.580 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.325 -3.991 8.454 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.143 -2.647 9.286 1.00 0.00 H new ATOM 958 N TYR A 62 3.505 -1.208 10.826 1.00 0.00 N ATOM 959 CA TYR A 62 4.690 -1.333 11.667 1.00 0.00 C ATOM 960 C TYR A 62 4.493 -0.609 12.996 1.00 0.00 C ATOM 961 O TYR A 62 3.861 0.445 13.070 1.00 0.00 O ATOM 962 CB TYR A 62 5.916 -0.772 10.945 1.00 0.00 C ATOM 963 CG TYR A 62 6.455 -1.687 9.868 1.00 0.00 C ATOM 964 CD1 TYR A 62 7.210 -2.807 10.195 1.00 0.00 C ATOM 965 CD2 TYR A 62 6.211 -1.431 8.525 1.00 0.00 C ATOM 966 CE1 TYR A 62 7.706 -3.645 9.215 1.00 0.00 C ATOM 967 CE2 TYR A 62 6.701 -2.264 7.538 1.00 0.00 C ATOM 968 CZ TYR A 62 7.448 -3.369 7.888 1.00 0.00 C ATOM 969 OH TYR A 62 7.939 -4.201 6.908 1.00 0.00 O ATOM 0 H TYR A 62 3.689 -0.852 9.888 1.00 0.00 H new ATOM 0 HA TYR A 62 4.850 -2.392 11.870 1.00 0.00 H new ATOM 0 HB2 TYR A 62 5.657 0.188 10.498 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.702 -0.582 11.676 1.00 0.00 H new ATOM 0 HD1 TYR A 62 7.412 -3.026 11.233 1.00 0.00 H new ATOM 0 HD2 TYR A 62 5.628 -0.565 8.247 1.00 0.00 H new ATOM 0 HE1 TYR A 62 8.292 -4.511 9.486 1.00 0.00 H new ATOM 0 HE2 TYR A 62 6.500 -2.051 6.498 1.00 0.00 H new ATOM 0 HH TYR A 62 7.667 -3.866 6.028 1.00 0.00 H new ATOM 979 N PRO A 63 5.048 -1.188 14.071 1.00 0.00 N ATOM 980 CA PRO A 63 4.949 -0.615 15.417 1.00 0.00 C ATOM 981 C PRO A 63 5.763 0.665 15.564 1.00 0.00 C ATOM 982 O PRO A 63 6.532 1.027 14.674 1.00 0.00 O ATOM 983 CB PRO A 63 5.519 -1.717 16.314 1.00 0.00 C ATOM 984 CG PRO A 63 6.430 -2.494 15.427 1.00 0.00 C ATOM 985 CD PRO A 63 5.815 -2.444 14.056 1.00 0.00 C ATOM 0 HA PRO A 63 3.926 -0.331 15.664 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.057 -1.297 17.164 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.727 -2.348 16.718 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.431 -2.063 15.422 1.00 0.00 H new ATOM 0 HG3 PRO A 63 6.528 -3.523 15.773 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.575 -2.441 13.275 1.00 0.00 H new ATOM 0 HD3 PRO A 63 5.172 -3.305 13.872 1.00 0.00 H new ATOM 993 N GLU A 64 5.589 1.346 16.693 1.00 0.00 N ATOM 994 CA GLU A 64 6.308 2.587 16.954 1.00 0.00 C ATOM 995 C GLU A 64 7.814 2.385 16.803 1.00 0.00 C ATOM 996 O GLU A 64 8.395 1.489 17.413 1.00 0.00 O ATOM 997 CB GLU A 64 5.990 3.100 18.360 1.00 0.00 C ATOM 998 CG GLU A 64 6.217 2.067 19.451 1.00 0.00 C ATOM 999 CD GLU A 64 5.893 2.599 20.834 1.00 0.00 C ATOM 1000 OE1 GLU A 64 4.723 2.479 21.255 1.00 0.00 O ATOM 1001 OE2 GLU A 64 6.807 3.133 21.494 1.00 0.00 O ATOM 0 H GLU A 64 4.957 1.059 17.440 1.00 0.00 H new ATOM 0 HA GLU A 64 5.983 3.327 16.223 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.606 3.975 18.566 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.951 3.427 18.392 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.602 1.190 19.250 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.256 1.740 19.426 1.00 0.00 H new ATOM 1008 N GLY A 65 8.438 3.226 15.984 1.00 0.00 N ATOM 1009 CA GLY A 65 9.869 3.124 15.766 1.00 0.00 C ATOM 1010 C GLY A 65 10.217 2.183 14.630 1.00 0.00 C ATOM 1011 O GLY A 65 11.330 2.219 14.105 1.00 0.00 O ATOM 0 H GLY A 65 7.978 3.976 15.468 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.272 4.114 15.550 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.349 2.777 16.681 1.00 0.00 H new ATOM 1015 N GLN A 66 9.264 1.338 14.251 1.00 0.00 N ATOM 1016 CA GLN A 66 9.477 0.382 13.171 1.00 0.00 C ATOM 1017 C GLN A 66 9.031 0.963 11.833 1.00 0.00 C ATOM 1018 O GLN A 66 9.494 0.538 10.775 1.00 0.00 O ATOM 1019 CB GLN A 66 8.720 -0.917 13.454 1.00 0.00 C ATOM 1020 CG GLN A 66 9.522 -1.926 14.260 1.00 0.00 C ATOM 1021 CD GLN A 66 9.034 -3.348 14.066 1.00 0.00 C ATOM 1022 OE1 GLN A 66 8.775 -3.780 12.942 1.00 0.00 O ATOM 1023 NE2 GLN A 66 8.907 -4.085 15.163 1.00 0.00 N ATOM 0 H GLN A 66 8.337 1.296 14.675 1.00 0.00 H new ATOM 0 HA GLN A 66 10.544 0.168 13.115 1.00 0.00 H new ATOM 0 HB2 GLN A 66 7.802 -0.683 13.992 1.00 0.00 H new ATOM 0 HB3 GLN A 66 8.428 -1.371 12.507 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.571 -1.864 13.972 1.00 0.00 H new ATOM 0 HG3 GLN A 66 9.466 -1.668 15.317 1.00 0.00 H new ATOM 0 HE21 GLN A 66 9.133 -3.686 16.074 1.00 0.00 H new ATOM 0 HE22 GLN A 66 8.584 -5.050 15.095 1.00 0.00 H new ATOM 1032 N ALA A 67 8.127 1.936 11.888 1.00 0.00 N ATOM 1033 CA ALA A 67 7.620 2.577 10.681 1.00 0.00 C ATOM 1034 C ALA A 67 8.762 3.015 9.771 1.00 0.00 C ATOM 1035 O ALA A 67 9.712 3.671 10.199 1.00 0.00 O ATOM 1036 CB ALA A 67 6.744 3.767 11.044 1.00 0.00 C ATOM 0 H ALA A 67 7.731 2.297 12.756 1.00 0.00 H new ATOM 0 HA ALA A 67 7.017 1.849 10.138 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.372 4.236 10.133 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.902 3.428 11.648 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.330 4.490 11.612 1.00 0.00 H new ATOM 1042 N PRO A 68 8.670 2.645 8.485 1.00 0.00 N ATOM 1043 CA PRO A 68 9.687 2.990 7.487 1.00 0.00 C ATOM 1044 C PRO A 68 9.697 4.480 7.160 1.00 0.00 C ATOM 1045 O PRO A 68 10.753 5.112 7.130 1.00 0.00 O ATOM 1046 CB PRO A 68 9.271 2.176 6.260 1.00 0.00 C ATOM 1047 CG PRO A 68 7.805 1.965 6.425 1.00 0.00 C ATOM 1048 CD PRO A 68 7.565 1.863 7.905 1.00 0.00 C ATOM 0 HA PRO A 68 10.695 2.770 7.840 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.493 2.711 5.336 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.805 1.227 6.215 1.00 0.00 H new ATOM 0 HG2 PRO A 68 7.241 2.792 5.994 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.481 1.058 5.914 1.00 0.00 H new ATOM 0 HD2 PRO A 68 6.594 2.272 8.184 1.00 0.00 H new ATOM 0 HD3 PRO A 68 7.584 0.827 8.245 1.00 0.00 H new ATOM 1056 N VAL A 69 8.514 5.035 6.916 1.00 0.00 N ATOM 1057 CA VAL A 69 8.386 6.451 6.592 1.00 0.00 C ATOM 1058 C VAL A 69 8.025 7.266 7.828 1.00 0.00 C ATOM 1059 O VAL A 69 6.854 7.557 8.074 1.00 0.00 O ATOM 1060 CB VAL A 69 7.319 6.684 5.506 1.00 0.00 C ATOM 1061 CG1 VAL A 69 7.012 8.168 5.370 1.00 0.00 C ATOM 1062 CG2 VAL A 69 7.775 6.102 4.177 1.00 0.00 C ATOM 0 H VAL A 69 7.631 4.526 6.937 1.00 0.00 H new ATOM 0 HA VAL A 69 9.355 6.779 6.214 1.00 0.00 H new ATOM 0 HB VAL A 69 6.404 6.173 5.805 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.256 8.314 4.598 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.639 8.551 6.320 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.920 8.704 5.094 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.009 6.276 3.422 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.704 6.582 3.869 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.940 5.030 4.287 1.00 0.00 H new ATOM 1072 N LYS A 70 9.039 7.635 8.604 1.00 0.00 N ATOM 1073 CA LYS A 70 8.830 8.419 9.815 1.00 0.00 C ATOM 1074 C LYS A 70 8.293 9.807 9.479 1.00 0.00 C ATOM 1075 O LYS A 70 7.323 10.271 10.079 1.00 0.00 O ATOM 1076 CB LYS A 70 10.139 8.544 10.599 1.00 0.00 C ATOM 1077 CG LYS A 70 10.649 7.222 11.145 1.00 0.00 C ATOM 1078 CD LYS A 70 11.433 7.415 12.432 1.00 0.00 C ATOM 1079 CE LYS A 70 11.567 6.111 13.204 1.00 0.00 C ATOM 1080 NZ LYS A 70 11.858 6.348 14.645 1.00 0.00 N ATOM 0 H LYS A 70 10.014 7.403 8.415 1.00 0.00 H new ATOM 0 HA LYS A 70 8.093 7.902 10.429 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.901 8.978 9.951 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.992 9.237 11.427 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.807 6.554 11.327 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.283 6.740 10.401 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.424 7.805 12.201 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.935 8.158 13.055 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.646 5.536 13.109 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.364 5.510 12.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.942 5.436 15.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 12.750 6.874 14.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 11.085 6.900 15.069 1.00 0.00 H new ATOM 1094 N LYS A 71 8.927 10.464 8.515 1.00 0.00 N ATOM 1095 CA LYS A 71 8.512 11.798 8.096 1.00 0.00 C ATOM 1096 C LYS A 71 7.354 11.721 7.105 1.00 0.00 C ATOM 1097 O LYS A 71 7.440 11.030 6.089 1.00 0.00 O ATOM 1098 CB LYS A 71 9.688 12.546 7.464 1.00 0.00 C ATOM 1099 CG LYS A 71 9.272 13.545 6.399 1.00 0.00 C ATOM 1100 CD LYS A 71 10.247 14.708 6.314 1.00 0.00 C ATOM 1101 CE LYS A 71 9.949 15.764 7.367 1.00 0.00 C ATOM 1102 NZ LYS A 71 11.145 16.598 7.671 1.00 0.00 N ATOM 0 H LYS A 71 9.731 10.095 8.008 1.00 0.00 H new ATOM 0 HA LYS A 71 8.177 12.341 8.980 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.237 13.070 8.246 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.373 11.822 7.023 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.215 13.045 5.432 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.274 13.921 6.622 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.265 14.341 6.444 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.194 15.157 5.322 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.138 16.405 7.019 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.603 15.279 8.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.900 17.305 8.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.911 15.991 8.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 11.460 17.081 6.806 1.00 0.00 H new ATOM 1116 N ILE A 72 6.275 12.434 7.408 1.00 0.00 N ATOM 1117 CA ILE A 72 5.102 12.448 6.542 1.00 0.00 C ATOM 1118 C ILE A 72 4.590 13.869 6.333 1.00 0.00 C ATOM 1119 O ILE A 72 3.704 14.331 7.051 1.00 0.00 O ATOM 1120 CB ILE A 72 3.965 11.585 7.121 1.00 0.00 C ATOM 1121 CG1 ILE A 72 4.510 10.235 7.591 1.00 0.00 C ATOM 1122 CG2 ILE A 72 2.869 11.388 6.084 1.00 0.00 C ATOM 1123 CD1 ILE A 72 3.489 9.394 8.325 1.00 0.00 C ATOM 0 H ILE A 72 6.188 13.009 8.246 1.00 0.00 H new ATOM 0 HA ILE A 72 5.412 12.031 5.584 1.00 0.00 H new ATOM 0 HB ILE A 72 3.537 12.102 7.980 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.874 9.679 6.727 1.00 0.00 H new ATOM 0 HG13 ILE A 72 5.366 10.405 8.244 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.073 10.776 6.508 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.465 12.358 5.792 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.283 10.889 5.208 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.945 8.452 8.629 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.143 9.931 9.208 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.643 9.193 7.668 1.00 0.00 H new ATOM 1135 N GLN A 73 5.153 14.555 5.344 1.00 0.00 N ATOM 1136 CA GLN A 73 4.752 15.924 5.039 1.00 0.00 C ATOM 1137 C GLN A 73 4.058 15.999 3.683 1.00 0.00 C ATOM 1138 O GLN A 73 4.316 15.185 2.797 1.00 0.00 O ATOM 1139 CB GLN A 73 5.970 16.850 5.054 1.00 0.00 C ATOM 1140 CG GLN A 73 5.635 18.289 5.410 1.00 0.00 C ATOM 1141 CD GLN A 73 6.866 19.110 5.739 1.00 0.00 C ATOM 1142 OE1 GLN A 73 7.182 20.081 5.051 1.00 0.00 O ATOM 1143 NE2 GLN A 73 7.570 18.724 6.797 1.00 0.00 N ATOM 0 H GLN A 73 5.888 14.186 4.740 1.00 0.00 H new ATOM 0 HA GLN A 73 4.048 16.249 5.805 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.698 16.467 5.769 1.00 0.00 H new ATOM 0 HB3 GLN A 73 6.445 16.828 4.073 1.00 0.00 H new ATOM 0 HG2 GLN A 73 5.106 18.752 4.577 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.957 18.300 6.263 1.00 0.00 H new ATOM 0 HE21 GLN A 73 7.272 17.913 7.340 1.00 0.00 H new ATOM 0 HE22 GLN A 73 8.408 19.238 7.067 1.00 0.00 H new ATOM 1152 N ALA A 74 3.176 16.980 3.529 1.00 0.00 N ATOM 1153 CA ALA A 74 2.446 17.162 2.281 1.00 0.00 C ATOM 1154 C ALA A 74 2.976 18.363 1.504 1.00 0.00 C ATOM 1155 O ALA A 74 2.537 19.493 1.714 1.00 0.00 O ATOM 1156 CB ALA A 74 0.959 17.326 2.558 1.00 0.00 C ATOM 0 H ALA A 74 2.949 17.661 4.253 1.00 0.00 H new ATOM 0 HA ALA A 74 2.595 16.272 1.670 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.426 17.461 1.617 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.583 16.437 3.063 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.801 18.198 3.193 1.00 0.00 H new ATOM 1162 N SER A 75 3.925 18.110 0.608 1.00 0.00 N ATOM 1163 CA SER A 75 4.519 19.171 -0.197 1.00 0.00 C ATOM 1164 C SER A 75 3.884 19.221 -1.583 1.00 0.00 C ATOM 1165 O SER A 75 3.676 18.190 -2.222 1.00 0.00 O ATOM 1166 CB SER A 75 6.029 18.960 -0.322 1.00 0.00 C ATOM 1167 OG SER A 75 6.706 19.421 0.835 1.00 0.00 O ATOM 0 H SER A 75 4.299 17.180 0.421 1.00 0.00 H new ATOM 0 HA SER A 75 4.332 20.121 0.303 1.00 0.00 H new ATOM 0 HB2 SER A 75 6.240 17.901 -0.473 1.00 0.00 H new ATOM 0 HB3 SER A 75 6.402 19.488 -1.200 1.00 0.00 H new ATOM 0 HG SER A 75 7.669 19.273 0.731 1.00 0.00 H new ATOM 1173 N THR A 76 3.578 20.431 -2.043 1.00 0.00 N ATOM 1174 CA THR A 76 2.967 20.618 -3.353 1.00 0.00 C ATOM 1175 C THR A 76 3.941 20.264 -4.471 1.00 0.00 C ATOM 1176 O THR A 76 3.541 19.757 -5.518 1.00 0.00 O ATOM 1177 CB THR A 76 2.486 22.068 -3.546 1.00 0.00 C ATOM 1178 OG1 THR A 76 1.754 22.500 -2.394 1.00 0.00 O ATOM 1179 CG2 THR A 76 1.609 22.187 -4.784 1.00 0.00 C ATOM 0 H THR A 76 3.744 21.295 -1.527 1.00 0.00 H new ATOM 0 HA THR A 76 2.108 19.949 -3.399 1.00 0.00 H new ATOM 0 HB THR A 76 3.362 22.703 -3.678 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.454 23.424 -2.525 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.281 23.220 -4.900 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.178 21.886 -5.663 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.738 21.540 -4.677 1.00 0.00 H new ATOM 1187 N MET A 77 5.222 20.534 -4.240 1.00 0.00 N ATOM 1188 CA MET A 77 6.254 20.242 -5.229 1.00 0.00 C ATOM 1189 C MET A 77 5.992 18.902 -5.908 1.00 0.00 C ATOM 1190 O MET A 77 5.926 17.864 -5.249 1.00 0.00 O ATOM 1191 CB MET A 77 7.634 20.232 -4.569 1.00 0.00 C ATOM 1192 CG MET A 77 8.105 21.607 -4.124 1.00 0.00 C ATOM 1193 SD MET A 77 7.579 22.012 -2.447 1.00 0.00 S ATOM 1194 CE MET A 77 6.411 23.332 -2.768 1.00 0.00 C ATOM 0 H MET A 77 5.570 20.954 -3.378 1.00 0.00 H new ATOM 0 HA MET A 77 6.228 21.024 -5.987 1.00 0.00 H new ATOM 0 HB2 MET A 77 7.610 19.568 -3.705 1.00 0.00 H new ATOM 0 HB3 MET A 77 8.359 19.817 -5.269 1.00 0.00 H new ATOM 0 HG2 MET A 77 9.193 21.650 -4.180 1.00 0.00 H new ATOM 0 HG3 MET A 77 7.721 22.359 -4.813 1.00 0.00 H new ATOM 0 HE1 MET A 77 5.704 23.401 -1.941 1.00 0.00 H new ATOM 0 HE2 MET A 77 6.947 24.276 -2.867 1.00 0.00 H new ATOM 0 HE3 MET A 77 5.870 23.123 -3.691 1.00 0.00 H new ATOM 1204 N ALA A 78 5.843 18.931 -7.228 1.00 0.00 N ATOM 1205 CA ALA A 78 5.590 17.718 -7.996 1.00 0.00 C ATOM 1206 C ALA A 78 6.679 16.678 -7.753 1.00 0.00 C ATOM 1207 O ALA A 78 6.477 15.487 -7.990 1.00 0.00 O ATOM 1208 CB ALA A 78 5.490 18.044 -9.479 1.00 0.00 C ATOM 0 H ALA A 78 5.893 19.782 -7.788 1.00 0.00 H new ATOM 0 HA ALA A 78 4.641 17.297 -7.663 1.00 0.00 H new ATOM 0 HB1 ALA A 78 5.301 17.129 -10.041 1.00 0.00 H new ATOM 0 HB2 ALA A 78 4.672 18.746 -9.643 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.425 18.491 -9.817 1.00 0.00 H new ATOM 1214 N PHE A 79 7.833 17.136 -7.280 1.00 0.00 N ATOM 1215 CA PHE A 79 8.955 16.244 -7.007 1.00 0.00 C ATOM 1216 C PHE A 79 8.737 15.480 -5.704 1.00 0.00 C ATOM 1217 O PHE A 79 8.670 14.250 -5.696 1.00 0.00 O ATOM 1218 CB PHE A 79 10.259 17.040 -6.932 1.00 0.00 C ATOM 1219 CG PHE A 79 11.278 16.435 -6.009 1.00 0.00 C ATOM 1220 CD1 PHE A 79 11.516 15.070 -6.017 1.00 0.00 C ATOM 1221 CD2 PHE A 79 11.997 17.232 -5.132 1.00 0.00 C ATOM 1222 CE1 PHE A 79 12.453 14.511 -5.169 1.00 0.00 C ATOM 1223 CE2 PHE A 79 12.936 16.678 -4.282 1.00 0.00 C ATOM 1224 CZ PHE A 79 13.163 15.315 -4.300 1.00 0.00 C ATOM 0 H PHE A 79 8.016 18.119 -7.078 1.00 0.00 H new ATOM 0 HA PHE A 79 9.023 15.524 -7.823 1.00 0.00 H new ATOM 0 HB2 PHE A 79 10.686 17.117 -7.932 1.00 0.00 H new ATOM 0 HB3 PHE A 79 10.038 18.055 -6.601 1.00 0.00 H new ATOM 0 HD1 PHE A 79 10.963 14.436 -6.694 1.00 0.00 H new ATOM 0 HD2 PHE A 79 11.822 18.298 -5.113 1.00 0.00 H new ATOM 0 HE1 PHE A 79 12.630 13.446 -5.186 1.00 0.00 H new ATOM 0 HE2 PHE A 79 13.492 17.310 -3.605 1.00 0.00 H new ATOM 0 HZ PHE A 79 13.895 14.880 -3.635 1.00 0.00 H new ATOM 1234 N LYS A 80 8.626 16.217 -4.604 1.00 0.00 N ATOM 1235 CA LYS A 80 8.415 15.611 -3.295 1.00 0.00 C ATOM 1236 C LYS A 80 7.339 14.532 -3.362 1.00 0.00 C ATOM 1237 O LYS A 80 7.609 13.358 -3.112 1.00 0.00 O ATOM 1238 CB LYS A 80 8.019 16.679 -2.274 1.00 0.00 C ATOM 1239 CG LYS A 80 9.119 17.686 -1.988 1.00 0.00 C ATOM 1240 CD LYS A 80 10.050 17.199 -0.890 1.00 0.00 C ATOM 1241 CE LYS A 80 10.903 16.031 -1.359 1.00 0.00 C ATOM 1242 NZ LYS A 80 12.175 15.929 -0.591 1.00 0.00 N ATOM 0 H LYS A 80 8.679 17.236 -4.593 1.00 0.00 H new ATOM 0 HA LYS A 80 9.350 15.147 -2.982 1.00 0.00 H new ATOM 0 HB2 LYS A 80 7.139 17.209 -2.638 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.734 16.191 -1.342 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.692 17.869 -2.897 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.675 18.637 -1.694 1.00 0.00 H new ATOM 0 HD2 LYS A 80 10.696 18.017 -0.570 1.00 0.00 H new ATOM 0 HD3 LYS A 80 9.464 16.897 -0.022 1.00 0.00 H new ATOM 0 HE2 LYS A 80 10.339 15.104 -1.253 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.127 16.148 -2.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 12.596 14.990 -0.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 12.837 16.662 -0.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 11.981 16.064 0.422 1.00 0.00 H new ATOM 1256 N GLN A 81 6.120 14.939 -3.702 1.00 0.00 N ATOM 1257 CA GLN A 81 5.004 14.005 -3.802 1.00 0.00 C ATOM 1258 C GLN A 81 5.472 12.652 -4.327 1.00 0.00 C ATOM 1259 O GLN A 81 5.380 11.641 -3.632 1.00 0.00 O ATOM 1260 CB GLN A 81 3.918 14.573 -4.717 1.00 0.00 C ATOM 1261 CG GLN A 81 3.408 15.938 -4.282 1.00 0.00 C ATOM 1262 CD GLN A 81 2.355 16.493 -5.220 1.00 0.00 C ATOM 1263 OE1 GLN A 81 2.582 16.616 -6.424 1.00 0.00 O ATOM 1264 NE2 GLN A 81 1.193 16.832 -4.673 1.00 0.00 N ATOM 0 H GLN A 81 5.880 15.908 -3.913 1.00 0.00 H new ATOM 0 HA GLN A 81 4.591 13.863 -2.804 1.00 0.00 H new ATOM 0 HB2 GLN A 81 4.311 14.648 -5.731 1.00 0.00 H new ATOM 0 HB3 GLN A 81 3.081 13.875 -4.750 1.00 0.00 H new ATOM 0 HG2 GLN A 81 2.991 15.863 -3.278 1.00 0.00 H new ATOM 0 HG3 GLN A 81 4.245 16.634 -4.229 1.00 0.00 H new ATOM 0 HE21 GLN A 81 1.047 16.713 -3.670 1.00 0.00 H new ATOM 0 HE22 GLN A 81 0.446 17.211 -5.256 1.00 0.00 H new ATOM 1273 N MET A 82 5.973 12.641 -5.558 1.00 0.00 N ATOM 1274 CA MET A 82 6.456 11.412 -6.176 1.00 0.00 C ATOM 1275 C MET A 82 7.366 10.645 -5.221 1.00 0.00 C ATOM 1276 O MET A 82 7.038 9.539 -4.792 1.00 0.00 O ATOM 1277 CB MET A 82 7.206 11.727 -7.471 1.00 0.00 C ATOM 1278 CG MET A 82 6.289 12.019 -8.648 1.00 0.00 C ATOM 1279 SD MET A 82 7.152 11.962 -10.231 1.00 0.00 S ATOM 1280 CE MET A 82 7.227 13.705 -10.638 1.00 0.00 C ATOM 0 H MET A 82 6.055 13.470 -6.147 1.00 0.00 H new ATOM 0 HA MET A 82 5.593 10.788 -6.408 1.00 0.00 H new ATOM 0 HB2 MET A 82 7.856 12.586 -7.305 1.00 0.00 H new ATOM 0 HB3 MET A 82 7.850 10.884 -7.723 1.00 0.00 H new ATOM 0 HG2 MET A 82 5.474 11.296 -8.657 1.00 0.00 H new ATOM 0 HG3 MET A 82 5.840 13.004 -8.518 1.00 0.00 H new ATOM 0 HE1 MET A 82 6.902 13.852 -11.668 1.00 0.00 H new ATOM 0 HE2 MET A 82 6.574 14.264 -9.968 1.00 0.00 H new ATOM 0 HE3 MET A 82 8.251 14.061 -10.526 1.00 0.00 H new ATOM 1290 N GLU A 83 8.509 11.240 -4.894 1.00 0.00 N ATOM 1291 CA GLU A 83 9.465 10.611 -3.991 1.00 0.00 C ATOM 1292 C GLU A 83 8.767 10.080 -2.742 1.00 0.00 C ATOM 1293 O GLU A 83 9.198 9.090 -2.152 1.00 0.00 O ATOM 1294 CB GLU A 83 10.557 11.607 -3.594 1.00 0.00 C ATOM 1295 CG GLU A 83 11.493 11.086 -2.516 1.00 0.00 C ATOM 1296 CD GLU A 83 12.689 11.992 -2.296 1.00 0.00 C ATOM 1297 OE1 GLU A 83 12.531 13.028 -1.616 1.00 0.00 O ATOM 1298 OE2 GLU A 83 13.783 11.666 -2.802 1.00 0.00 O ATOM 0 H GLU A 83 8.795 12.156 -5.241 1.00 0.00 H new ATOM 0 HA GLU A 83 9.922 9.771 -4.515 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.141 11.864 -4.478 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.088 12.526 -3.243 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.943 10.983 -1.581 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.841 10.091 -2.792 1.00 0.00 H new ATOM 1305 N GLN A 84 7.687 10.747 -2.347 1.00 0.00 N ATOM 1306 CA GLN A 84 6.930 10.343 -1.168 1.00 0.00 C ATOM 1307 C GLN A 84 6.295 8.972 -1.372 1.00 0.00 C ATOM 1308 O GLN A 84 6.201 8.176 -0.437 1.00 0.00 O ATOM 1309 CB GLN A 84 5.848 11.377 -0.852 1.00 0.00 C ATOM 1310 CG GLN A 84 5.430 11.394 0.610 1.00 0.00 C ATOM 1311 CD GLN A 84 6.336 12.257 1.466 1.00 0.00 C ATOM 1312 OE1 GLN A 84 6.391 13.476 1.298 1.00 0.00 O ATOM 1313 NE2 GLN A 84 7.053 11.629 2.390 1.00 0.00 N ATOM 0 H GLN A 84 7.317 11.568 -2.825 1.00 0.00 H new ATOM 0 HA GLN A 84 7.621 10.282 -0.327 1.00 0.00 H new ATOM 0 HB2 GLN A 84 6.211 12.367 -1.129 1.00 0.00 H new ATOM 0 HB3 GLN A 84 4.973 11.175 -1.469 1.00 0.00 H new ATOM 0 HG2 GLN A 84 4.406 11.761 0.687 1.00 0.00 H new ATOM 0 HG3 GLN A 84 5.434 10.375 0.997 1.00 0.00 H new ATOM 0 HE21 GLN A 84 6.976 10.617 2.495 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.681 12.158 2.995 1.00 0.00 H new ATOM 1322 N ILE A 85 5.862 8.702 -2.598 1.00 0.00 N ATOM 1323 CA ILE A 85 5.237 7.426 -2.924 1.00 0.00 C ATOM 1324 C ILE A 85 6.239 6.281 -2.822 1.00 0.00 C ATOM 1325 O ILE A 85 5.969 5.261 -2.189 1.00 0.00 O ATOM 1326 CB ILE A 85 4.633 7.441 -4.341 1.00 0.00 C ATOM 1327 CG1 ILE A 85 3.601 8.563 -4.468 1.00 0.00 C ATOM 1328 CG2 ILE A 85 4.002 6.094 -4.662 1.00 0.00 C ATOM 1329 CD1 ILE A 85 3.036 8.709 -5.864 1.00 0.00 C ATOM 0 H ILE A 85 5.932 9.350 -3.383 1.00 0.00 H new ATOM 0 HA ILE A 85 4.438 7.271 -2.199 1.00 0.00 H new ATOM 0 HB ILE A 85 5.432 7.626 -5.059 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.784 8.374 -3.772 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.062 9.505 -4.171 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.580 6.120 -5.666 1.00 0.00 H new ATOM 0 HG22 ILE A 85 4.762 5.314 -4.608 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.212 5.881 -3.942 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.311 9.523 -5.880 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.844 8.929 -6.562 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.546 7.781 -6.157 1.00 0.00 H new ATOM 1341 N SER A 86 7.397 6.459 -3.449 1.00 0.00 N ATOM 1342 CA SER A 86 8.440 5.439 -3.431 1.00 0.00 C ATOM 1343 C SER A 86 8.708 4.961 -2.007 1.00 0.00 C ATOM 1344 O SER A 86 8.739 3.760 -1.740 1.00 0.00 O ATOM 1345 CB SER A 86 9.729 5.987 -4.047 1.00 0.00 C ATOM 1346 OG SER A 86 10.593 4.935 -4.441 1.00 0.00 O ATOM 0 H SER A 86 7.637 7.299 -3.975 1.00 0.00 H new ATOM 0 HA SER A 86 8.094 4.591 -4.022 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.488 6.607 -4.911 1.00 0.00 H new ATOM 0 HB3 SER A 86 10.236 6.628 -3.326 1.00 0.00 H new ATOM 0 HG SER A 86 11.409 5.311 -4.833 1.00 0.00 H new ATOM 1352 N GLN A 87 8.900 5.911 -1.097 1.00 0.00 N ATOM 1353 CA GLN A 87 9.166 5.587 0.300 1.00 0.00 C ATOM 1354 C GLN A 87 8.259 4.458 0.779 1.00 0.00 C ATOM 1355 O GLN A 87 8.674 3.607 1.566 1.00 0.00 O ATOM 1356 CB GLN A 87 8.968 6.824 1.178 1.00 0.00 C ATOM 1357 CG GLN A 87 9.910 7.968 0.839 1.00 0.00 C ATOM 1358 CD GLN A 87 10.220 8.843 2.037 1.00 0.00 C ATOM 1359 OE1 GLN A 87 10.970 8.449 2.931 1.00 0.00 O ATOM 1360 NE2 GLN A 87 9.645 10.040 2.062 1.00 0.00 N ATOM 0 H GLN A 87 8.876 6.910 -1.302 1.00 0.00 H new ATOM 0 HA GLN A 87 10.201 5.255 0.380 1.00 0.00 H new ATOM 0 HB2 GLN A 87 7.939 7.170 1.078 1.00 0.00 H new ATOM 0 HB3 GLN A 87 9.110 6.545 2.222 1.00 0.00 H new ATOM 0 HG2 GLN A 87 10.840 7.562 0.440 1.00 0.00 H new ATOM 0 HG3 GLN A 87 9.466 8.579 0.053 1.00 0.00 H new ATOM 0 HE21 GLN A 87 9.030 10.326 1.300 1.00 0.00 H new ATOM 0 HE22 GLN A 87 9.818 10.673 2.843 1.00 0.00 H new ATOM 1369 N PHE A 88 7.020 4.458 0.300 1.00 0.00 N ATOM 1370 CA PHE A 88 6.054 3.434 0.681 1.00 0.00 C ATOM 1371 C PHE A 88 6.319 2.131 -0.067 1.00 0.00 C ATOM 1372 O PHE A 88 6.408 1.062 0.538 1.00 0.00 O ATOM 1373 CB PHE A 88 4.629 3.917 0.398 1.00 0.00 C ATOM 1374 CG PHE A 88 3.624 2.803 0.317 1.00 0.00 C ATOM 1375 CD1 PHE A 88 3.489 1.897 1.356 1.00 0.00 C ATOM 1376 CD2 PHE A 88 2.814 2.663 -0.799 1.00 0.00 C ATOM 1377 CE1 PHE A 88 2.566 0.871 1.284 1.00 0.00 C ATOM 1378 CE2 PHE A 88 1.889 1.640 -0.877 1.00 0.00 C ATOM 1379 CZ PHE A 88 1.764 0.743 0.166 1.00 0.00 C ATOM 0 H PHE A 88 6.661 5.155 -0.352 1.00 0.00 H new ATOM 0 HA PHE A 88 6.162 3.247 1.749 1.00 0.00 H new ATOM 0 HB2 PHE A 88 4.327 4.612 1.182 1.00 0.00 H new ATOM 0 HB3 PHE A 88 4.621 4.472 -0.540 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.112 1.994 2.233 1.00 0.00 H new ATOM 0 HD2 PHE A 88 2.907 3.362 -1.617 1.00 0.00 H new ATOM 0 HE1 PHE A 88 2.472 0.170 2.100 1.00 0.00 H new ATOM 0 HE2 PHE A 88 1.264 1.542 -1.752 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.041 -0.057 0.108 1.00 0.00 H new ATOM 1389 N LEU A 89 6.444 2.227 -1.386 1.00 0.00 N ATOM 1390 CA LEU A 89 6.699 1.057 -2.218 1.00 0.00 C ATOM 1391 C LEU A 89 7.902 0.273 -1.702 1.00 0.00 C ATOM 1392 O LEU A 89 7.792 -0.910 -1.380 1.00 0.00 O ATOM 1393 CB LEU A 89 6.936 1.480 -3.669 1.00 0.00 C ATOM 1394 CG LEU A 89 5.824 2.304 -4.318 1.00 0.00 C ATOM 1395 CD1 LEU A 89 6.328 2.976 -5.586 1.00 0.00 C ATOM 1396 CD2 LEU A 89 4.617 1.427 -4.620 1.00 0.00 C ATOM 0 H LEU A 89 6.373 3.104 -1.902 1.00 0.00 H new ATOM 0 HA LEU A 89 5.822 0.412 -2.173 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.860 2.056 -3.712 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.092 0.582 -4.267 1.00 0.00 H new ATOM 0 HG LEU A 89 5.517 3.081 -3.617 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.523 3.558 -6.034 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.160 3.636 -5.342 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.663 2.216 -6.292 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.835 2.030 -5.082 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.909 0.628 -5.302 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.241 0.994 -3.693 1.00 0.00 H new ATOM 1408 N GLN A 90 9.048 0.942 -1.623 1.00 0.00 N ATOM 1409 CA GLN A 90 10.270 0.308 -1.144 1.00 0.00 C ATOM 1410 C GLN A 90 9.988 -0.569 0.071 1.00 0.00 C ATOM 1411 O GLN A 90 10.648 -1.587 0.281 1.00 0.00 O ATOM 1412 CB GLN A 90 11.315 1.368 -0.793 1.00 0.00 C ATOM 1413 CG GLN A 90 11.751 2.210 -1.980 1.00 0.00 C ATOM 1414 CD GLN A 90 12.581 1.427 -2.978 1.00 0.00 C ATOM 1415 OE1 GLN A 90 12.044 0.704 -3.818 1.00 0.00 O ATOM 1416 NE2 GLN A 90 13.899 1.567 -2.891 1.00 0.00 N ATOM 0 H GLN A 90 9.155 1.922 -1.884 1.00 0.00 H new ATOM 0 HA GLN A 90 10.659 -0.324 -1.942 1.00 0.00 H new ATOM 0 HB2 GLN A 90 10.910 2.024 -0.022 1.00 0.00 H new ATOM 0 HB3 GLN A 90 12.189 0.877 -0.366 1.00 0.00 H new ATOM 0 HG2 GLN A 90 10.869 2.609 -2.481 1.00 0.00 H new ATOM 0 HG3 GLN A 90 12.328 3.063 -1.623 1.00 0.00 H new ATOM 0 HE21 GLN A 90 14.301 2.177 -2.179 1.00 0.00 H new ATOM 0 HE22 GLN A 90 14.509 1.065 -3.536 1.00 0.00 H new ATOM 1425 N ALA A 91 9.005 -0.167 0.870 1.00 0.00 N ATOM 1426 CA ALA A 91 8.635 -0.917 2.064 1.00 0.00 C ATOM 1427 C ALA A 91 7.625 -2.010 1.734 1.00 0.00 C ATOM 1428 O ALA A 91 7.639 -3.083 2.337 1.00 0.00 O ATOM 1429 CB ALA A 91 8.074 0.021 3.123 1.00 0.00 C ATOM 0 H ALA A 91 8.450 0.674 0.712 1.00 0.00 H new ATOM 0 HA ALA A 91 9.533 -1.395 2.456 1.00 0.00 H new ATOM 0 HB1 ALA A 91 7.802 -0.552 4.009 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.827 0.763 3.388 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.190 0.525 2.731 1.00 0.00 H new ATOM 1435 N ALA A 92 6.749 -1.731 0.774 1.00 0.00 N ATOM 1436 CA ALA A 92 5.733 -2.692 0.364 1.00 0.00 C ATOM 1437 C ALA A 92 6.363 -4.025 -0.025 1.00 0.00 C ATOM 1438 O ALA A 92 5.835 -5.088 0.299 1.00 0.00 O ATOM 1439 CB ALA A 92 4.917 -2.135 -0.793 1.00 0.00 C ATOM 0 H ALA A 92 6.723 -0.847 0.266 1.00 0.00 H new ATOM 0 HA ALA A 92 5.070 -2.867 1.212 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.162 -2.863 -1.089 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.429 -1.211 -0.482 1.00 0.00 H new ATOM 0 HB3 ALA A 92 5.575 -1.931 -1.637 1.00 0.00 H new ATOM 1445 N GLU A 93 7.494 -3.960 -0.721 1.00 0.00 N ATOM 1446 CA GLU A 93 8.194 -5.163 -1.155 1.00 0.00 C ATOM 1447 C GLU A 93 8.955 -5.798 0.006 1.00 0.00 C ATOM 1448 O GLU A 93 8.916 -7.013 0.197 1.00 0.00 O ATOM 1449 CB GLU A 93 9.160 -4.835 -2.294 1.00 0.00 C ATOM 1450 CG GLU A 93 10.093 -5.981 -2.650 1.00 0.00 C ATOM 1451 CD GLU A 93 11.069 -5.618 -3.753 1.00 0.00 C ATOM 1452 OE1 GLU A 93 10.842 -4.594 -4.431 1.00 0.00 O ATOM 1453 OE2 GLU A 93 12.058 -6.357 -3.937 1.00 0.00 O ATOM 0 H GLU A 93 7.945 -3.087 -0.996 1.00 0.00 H new ATOM 0 HA GLU A 93 7.451 -5.876 -1.513 1.00 0.00 H new ATOM 0 HB2 GLU A 93 8.586 -4.557 -3.178 1.00 0.00 H new ATOM 0 HB3 GLU A 93 9.756 -3.966 -2.015 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.649 -6.281 -1.762 1.00 0.00 H new ATOM 0 HG3 GLU A 93 9.502 -6.842 -2.962 1.00 0.00 H new ATOM 1460 N ARG A 94 9.647 -4.965 0.777 1.00 0.00 N ATOM 1461 CA ARG A 94 10.419 -5.444 1.917 1.00 0.00 C ATOM 1462 C ARG A 94 9.512 -6.116 2.944 1.00 0.00 C ATOM 1463 O ARG A 94 9.953 -6.975 3.708 1.00 0.00 O ATOM 1464 CB ARG A 94 11.176 -4.286 2.570 1.00 0.00 C ATOM 1465 CG ARG A 94 12.448 -3.898 1.834 1.00 0.00 C ATOM 1466 CD ARG A 94 13.415 -3.159 2.746 1.00 0.00 C ATOM 1467 NE ARG A 94 14.266 -4.076 3.499 1.00 0.00 N ATOM 1468 CZ ARG A 94 15.347 -3.693 4.169 1.00 0.00 C ATOM 1469 NH1 ARG A 94 15.708 -2.417 4.179 1.00 0.00 N ATOM 1470 NH2 ARG A 94 16.070 -4.587 4.831 1.00 0.00 N ATOM 0 H ARG A 94 9.689 -3.956 0.633 1.00 0.00 H new ATOM 0 HA ARG A 94 11.137 -6.180 1.555 1.00 0.00 H new ATOM 0 HB2 ARG A 94 10.519 -3.418 2.624 1.00 0.00 H new ATOM 0 HB3 ARG A 94 11.428 -4.560 3.595 1.00 0.00 H new ATOM 0 HG2 ARG A 94 12.929 -4.793 1.440 1.00 0.00 H new ATOM 0 HG3 ARG A 94 12.198 -3.268 0.980 1.00 0.00 H new ATOM 0 HD2 ARG A 94 14.038 -2.493 2.150 1.00 0.00 H new ATOM 0 HD3 ARG A 94 12.853 -2.534 3.440 1.00 0.00 H new ATOM 0 HE ARG A 94 14.017 -5.065 3.511 1.00 0.00 H new ATOM 0 HH11 ARG A 94 15.155 -1.727 3.671 1.00 0.00 H new ATOM 0 HH12 ARG A 94 16.539 -2.126 4.694 1.00 0.00 H new ATOM 0 HH21 ARG A 94 15.796 -5.569 4.826 1.00 0.00 H new ATOM 0 HH22 ARG A 94 16.900 -4.292 5.345 1.00 0.00 H new ATOM 1484 N TYR A 95 8.245 -5.719 2.956 1.00 0.00 N ATOM 1485 CA TYR A 95 7.277 -6.280 3.891 1.00 0.00 C ATOM 1486 C TYR A 95 6.925 -7.716 3.513 1.00 0.00 C ATOM 1487 O TYR A 95 6.979 -8.620 4.346 1.00 0.00 O ATOM 1488 CB TYR A 95 6.010 -5.424 3.921 1.00 0.00 C ATOM 1489 CG TYR A 95 4.800 -6.151 4.464 1.00 0.00 C ATOM 1490 CD1 TYR A 95 4.672 -6.410 5.823 1.00 0.00 C ATOM 1491 CD2 TYR A 95 3.785 -6.579 3.617 1.00 0.00 C ATOM 1492 CE1 TYR A 95 3.569 -7.075 6.323 1.00 0.00 C ATOM 1493 CE2 TYR A 95 2.677 -7.243 4.108 1.00 0.00 C ATOM 1494 CZ TYR A 95 2.575 -7.489 5.461 1.00 0.00 C ATOM 1495 OH TYR A 95 1.474 -8.150 5.956 1.00 0.00 O ATOM 0 H TYR A 95 7.864 -5.011 2.329 1.00 0.00 H new ATOM 0 HA TYR A 95 7.728 -6.284 4.883 1.00 0.00 H new ATOM 0 HB2 TYR A 95 6.194 -4.538 4.529 1.00 0.00 H new ATOM 0 HB3 TYR A 95 5.792 -5.077 2.911 1.00 0.00 H new ATOM 0 HD1 TYR A 95 5.448 -6.086 6.500 1.00 0.00 H new ATOM 0 HD2 TYR A 95 3.863 -6.389 2.557 1.00 0.00 H new ATOM 0 HE1 TYR A 95 3.486 -7.269 7.382 1.00 0.00 H new ATOM 0 HE2 TYR A 95 1.896 -7.567 3.436 1.00 0.00 H new ATOM 0 HH TYR A 95 1.646 -9.115 5.960 1.00 0.00 H new ATOM 1505 N GLY A 96 6.564 -7.918 2.250 1.00 0.00 N ATOM 1506 CA GLY A 96 6.209 -9.245 1.782 1.00 0.00 C ATOM 1507 C GLY A 96 5.666 -9.235 0.367 1.00 0.00 C ATOM 1508 O GLY A 96 5.824 -10.207 -0.372 1.00 0.00 O ATOM 0 H GLY A 96 6.511 -7.186 1.542 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.087 -9.889 1.826 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.464 -9.675 2.451 1.00 0.00 H new ATOM 1512 N ILE A 97 5.022 -8.136 -0.010 1.00 0.00 N ATOM 1513 CA ILE A 97 4.453 -8.004 -1.346 1.00 0.00 C ATOM 1514 C ILE A 97 5.519 -8.197 -2.419 1.00 0.00 C ATOM 1515 O ILE A 97 6.712 -8.055 -2.155 1.00 0.00 O ATOM 1516 CB ILE A 97 3.786 -6.630 -1.541 1.00 0.00 C ATOM 1517 CG1 ILE A 97 2.719 -6.399 -0.469 1.00 0.00 C ATOM 1518 CG2 ILE A 97 3.178 -6.529 -2.932 1.00 0.00 C ATOM 1519 CD1 ILE A 97 2.237 -4.967 -0.395 1.00 0.00 C ATOM 0 H ILE A 97 4.881 -7.324 0.591 1.00 0.00 H new ATOM 0 HA ILE A 97 3.697 -8.782 -1.445 1.00 0.00 H new ATOM 0 HB ILE A 97 4.547 -5.856 -1.441 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.868 -7.050 -0.668 1.00 0.00 H new ATOM 0 HG13 ILE A 97 3.122 -6.689 0.501 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.710 -5.552 -3.055 1.00 0.00 H new ATOM 0 HG22 ILE A 97 3.960 -6.653 -3.681 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.427 -7.309 -3.058 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.482 -4.877 0.386 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.077 -4.312 -0.165 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.804 -4.679 -1.353 1.00 0.00 H new ATOM 1531 N ASN A 98 5.080 -8.520 -3.631 1.00 0.00 N ATOM 1532 CA ASN A 98 5.996 -8.730 -4.745 1.00 0.00 C ATOM 1533 C ASN A 98 6.029 -7.511 -5.661 1.00 0.00 C ATOM 1534 O ASN A 98 5.096 -6.706 -5.677 1.00 0.00 O ATOM 1535 CB ASN A 98 5.586 -9.970 -5.543 1.00 0.00 C ATOM 1536 CG ASN A 98 6.636 -10.378 -6.558 1.00 0.00 C ATOM 1537 OD1 ASN A 98 6.391 -10.354 -7.765 1.00 0.00 O ATOM 1538 ND2 ASN A 98 7.813 -10.755 -6.073 1.00 0.00 N ATOM 0 H ASN A 98 4.095 -8.642 -3.866 1.00 0.00 H new ATOM 0 HA ASN A 98 6.995 -8.882 -4.337 1.00 0.00 H new ATOM 0 HB2 ASN A 98 5.407 -10.798 -4.857 1.00 0.00 H new ATOM 0 HB3 ASN A 98 4.645 -9.773 -6.057 1.00 0.00 H new ATOM 0 HD21 ASN A 98 8.559 -11.040 -6.708 1.00 0.00 H new ATOM 0 HD22 ASN A 98 7.972 -10.759 -5.065 1.00 0.00 H new ATOM 1545 N THR A 99 7.109 -7.379 -6.425 1.00 0.00 N ATOM 1546 CA THR A 99 7.264 -6.258 -7.343 1.00 0.00 C ATOM 1547 C THR A 99 6.270 -6.350 -8.496 1.00 0.00 C ATOM 1548 O THR A 99 5.787 -5.333 -8.996 1.00 0.00 O ATOM 1549 CB THR A 99 8.692 -6.194 -7.916 1.00 0.00 C ATOM 1550 OG1 THR A 99 9.045 -7.456 -8.493 1.00 0.00 O ATOM 1551 CG2 THR A 99 9.695 -5.829 -6.831 1.00 0.00 C ATOM 0 H THR A 99 7.890 -8.035 -6.426 1.00 0.00 H new ATOM 0 HA THR A 99 7.069 -5.351 -6.770 1.00 0.00 H new ATOM 0 HB THR A 99 8.717 -5.423 -8.686 1.00 0.00 H new ATOM 0 HG1 THR A 99 9.954 -7.407 -8.857 1.00 0.00 H new ATOM 0 HG21 THR A 99 10.696 -5.790 -7.260 1.00 0.00 H new ATOM 0 HG22 THR A 99 9.441 -4.855 -6.413 1.00 0.00 H new ATOM 0 HG23 THR A 99 9.667 -6.581 -6.042 1.00 0.00 H new ATOM 1559 N THR A 100 5.967 -7.575 -8.914 1.00 0.00 N ATOM 1560 CA THR A 100 5.031 -7.800 -10.008 1.00 0.00 C ATOM 1561 C THR A 100 3.709 -7.083 -9.756 1.00 0.00 C ATOM 1562 O THR A 100 3.100 -6.542 -10.678 1.00 0.00 O ATOM 1563 CB THR A 100 4.757 -9.301 -10.213 1.00 0.00 C ATOM 1564 OG1 THR A 100 3.949 -9.497 -11.380 1.00 0.00 O ATOM 1565 CG2 THR A 100 4.057 -9.895 -9.000 1.00 0.00 C ATOM 0 H THR A 100 6.357 -8.427 -8.511 1.00 0.00 H new ATOM 0 HA THR A 100 5.494 -7.397 -10.909 1.00 0.00 H new ATOM 0 HB THR A 100 5.713 -9.807 -10.344 1.00 0.00 H new ATOM 0 HG1 THR A 100 3.781 -10.454 -11.504 1.00 0.00 H new ATOM 0 HG21 THR A 100 3.874 -10.956 -9.169 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.687 -9.771 -8.119 1.00 0.00 H new ATOM 0 HG23 THR A 100 3.107 -9.384 -8.841 1.00 0.00 H new ATOM 1573 N ASP A 101 3.271 -7.083 -8.501 1.00 0.00 N ATOM 1574 CA ASP A 101 2.022 -6.431 -8.128 1.00 0.00 C ATOM 1575 C ASP A 101 2.240 -4.943 -7.871 1.00 0.00 C ATOM 1576 O ASP A 101 1.441 -4.107 -8.292 1.00 0.00 O ATOM 1577 CB ASP A 101 1.427 -7.094 -6.884 1.00 0.00 C ATOM 1578 CG ASP A 101 1.378 -8.605 -7.001 1.00 0.00 C ATOM 1579 OD1 ASP A 101 0.790 -9.106 -7.983 1.00 0.00 O ATOM 1580 OD2 ASP A 101 1.929 -9.287 -6.112 1.00 0.00 O ATOM 0 H ASP A 101 3.763 -7.527 -7.726 1.00 0.00 H new ATOM 0 HA ASP A 101 1.323 -6.539 -8.958 1.00 0.00 H new ATOM 0 HB2 ASP A 101 2.019 -6.819 -6.011 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.419 -6.712 -6.719 1.00 0.00 H new ATOM 1585 N ILE A 102 3.327 -4.622 -7.176 1.00 0.00 N ATOM 1586 CA ILE A 102 3.650 -3.235 -6.863 1.00 0.00 C ATOM 1587 C ILE A 102 3.547 -2.354 -8.103 1.00 0.00 C ATOM 1588 O ILE A 102 4.010 -2.724 -9.182 1.00 0.00 O ATOM 1589 CB ILE A 102 5.067 -3.107 -6.273 1.00 0.00 C ATOM 1590 CG1 ILE A 102 5.094 -3.638 -4.838 1.00 0.00 C ATOM 1591 CG2 ILE A 102 5.529 -1.659 -6.316 1.00 0.00 C ATOM 1592 CD1 ILE A 102 6.491 -3.802 -4.281 1.00 0.00 C ATOM 0 H ILE A 102 3.998 -5.303 -6.820 1.00 0.00 H new ATOM 0 HA ILE A 102 2.924 -2.901 -6.121 1.00 0.00 H new ATOM 0 HB ILE A 102 5.752 -3.704 -6.875 1.00 0.00 H new ATOM 0 HG12 ILE A 102 4.533 -2.958 -4.197 1.00 0.00 H new ATOM 0 HG13 ILE A 102 4.583 -4.600 -4.806 1.00 0.00 H new ATOM 0 HG21 ILE A 102 6.532 -1.584 -5.896 1.00 0.00 H new ATOM 0 HG22 ILE A 102 5.542 -1.312 -7.349 1.00 0.00 H new ATOM 0 HG23 ILE A 102 4.845 -1.041 -5.734 1.00 0.00 H new ATOM 0 HD11 ILE A 102 6.434 -4.182 -3.261 1.00 0.00 H new ATOM 0 HD12 ILE A 102 7.049 -4.505 -4.899 1.00 0.00 H new ATOM 0 HD13 ILE A 102 6.998 -2.837 -4.281 1.00 0.00 H new ATOM 1604 N PHE A 103 2.937 -1.184 -7.941 1.00 0.00 N ATOM 1605 CA PHE A 103 2.774 -0.247 -9.047 1.00 0.00 C ATOM 1606 C PHE A 103 4.017 0.622 -9.212 1.00 0.00 C ATOM 1607 O PHE A 103 5.006 0.449 -8.501 1.00 0.00 O ATOM 1608 CB PHE A 103 1.546 0.637 -8.817 1.00 0.00 C ATOM 1609 CG PHE A 103 1.671 1.536 -7.621 1.00 0.00 C ATOM 1610 CD1 PHE A 103 1.381 1.065 -6.350 1.00 0.00 C ATOM 1611 CD2 PHE A 103 2.079 2.852 -7.766 1.00 0.00 C ATOM 1612 CE1 PHE A 103 1.494 1.891 -5.248 1.00 0.00 C ATOM 1613 CE2 PHE A 103 2.194 3.683 -6.667 1.00 0.00 C ATOM 1614 CZ PHE A 103 1.902 3.201 -5.406 1.00 0.00 C ATOM 0 H PHE A 103 2.548 -0.862 -7.055 1.00 0.00 H new ATOM 0 HA PHE A 103 2.632 -0.824 -9.961 1.00 0.00 H new ATOM 0 HB2 PHE A 103 1.376 1.247 -9.704 1.00 0.00 H new ATOM 0 HB3 PHE A 103 0.669 0.002 -8.694 1.00 0.00 H new ATOM 0 HD1 PHE A 103 1.063 0.041 -6.220 1.00 0.00 H new ATOM 0 HD2 PHE A 103 2.310 3.233 -8.750 1.00 0.00 H new ATOM 0 HE1 PHE A 103 1.263 1.512 -4.263 1.00 0.00 H new ATOM 0 HE2 PHE A 103 2.512 4.707 -6.794 1.00 0.00 H new ATOM 0 HZ PHE A 103 1.993 3.847 -4.545 1.00 0.00 H new ATOM 1624 N GLN A 104 3.958 1.555 -10.157 1.00 0.00 N ATOM 1625 CA GLN A 104 5.079 2.451 -10.416 1.00 0.00 C ATOM 1626 C GLN A 104 4.787 3.854 -9.896 1.00 0.00 C ATOM 1627 O GLN A 104 3.688 4.380 -10.078 1.00 0.00 O ATOM 1628 CB GLN A 104 5.381 2.502 -11.915 1.00 0.00 C ATOM 1629 CG GLN A 104 6.327 1.408 -12.383 1.00 0.00 C ATOM 1630 CD GLN A 104 6.258 1.178 -13.880 1.00 0.00 C ATOM 1631 OE1 GLN A 104 6.621 2.049 -14.671 1.00 0.00 O ATOM 1632 NE2 GLN A 104 5.792 0.000 -14.277 1.00 0.00 N ATOM 0 H GLN A 104 3.147 1.710 -10.755 1.00 0.00 H new ATOM 0 HA GLN A 104 5.951 2.063 -9.889 1.00 0.00 H new ATOM 0 HB2 GLN A 104 4.445 2.423 -12.468 1.00 0.00 H new ATOM 0 HB3 GLN A 104 5.813 3.473 -12.157 1.00 0.00 H new ATOM 0 HG2 GLN A 104 7.348 1.673 -12.107 1.00 0.00 H new ATOM 0 HG3 GLN A 104 6.087 0.479 -11.865 1.00 0.00 H new ATOM 0 HE21 GLN A 104 5.502 -0.693 -13.587 1.00 0.00 H new ATOM 0 HE22 GLN A 104 5.724 -0.212 -15.272 1.00 0.00 H new ATOM 1641 N THR A 105 5.778 4.458 -9.247 1.00 0.00 N ATOM 1642 CA THR A 105 5.627 5.799 -8.698 1.00 0.00 C ATOM 1643 C THR A 105 4.802 6.683 -9.627 1.00 0.00 C ATOM 1644 O THR A 105 3.967 7.467 -9.175 1.00 0.00 O ATOM 1645 CB THR A 105 6.995 6.464 -8.456 1.00 0.00 C ATOM 1646 OG1 THR A 105 7.795 5.641 -7.601 1.00 0.00 O ATOM 1647 CG2 THR A 105 6.825 7.840 -7.830 1.00 0.00 C ATOM 0 H THR A 105 6.694 4.039 -9.089 1.00 0.00 H new ATOM 0 HA THR A 105 5.109 5.694 -7.745 1.00 0.00 H new ATOM 0 HB THR A 105 7.493 6.580 -9.419 1.00 0.00 H new ATOM 0 HG1 THR A 105 8.664 6.070 -7.453 1.00 0.00 H new ATOM 0 HG21 THR A 105 7.805 8.290 -7.669 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.240 8.473 -8.497 1.00 0.00 H new ATOM 0 HG23 THR A 105 6.308 7.744 -6.875 1.00 0.00 H new ATOM 1655 N VAL A 106 5.042 6.552 -10.928 1.00 0.00 N ATOM 1656 CA VAL A 106 4.319 7.338 -11.921 1.00 0.00 C ATOM 1657 C VAL A 106 2.903 6.808 -12.118 1.00 0.00 C ATOM 1658 O VAL A 106 1.937 7.572 -12.113 1.00 0.00 O ATOM 1659 CB VAL A 106 5.049 7.336 -13.278 1.00 0.00 C ATOM 1660 CG1 VAL A 106 5.082 5.933 -13.864 1.00 0.00 C ATOM 1661 CG2 VAL A 106 4.386 8.310 -14.240 1.00 0.00 C ATOM 0 H VAL A 106 5.731 5.909 -11.319 1.00 0.00 H new ATOM 0 HA VAL A 106 4.272 8.359 -11.543 1.00 0.00 H new ATOM 0 HB VAL A 106 6.077 7.661 -13.119 1.00 0.00 H new ATOM 0 HG11 VAL A 106 5.601 5.951 -14.822 1.00 0.00 H new ATOM 0 HG12 VAL A 106 5.606 5.265 -13.180 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.063 5.576 -14.010 1.00 0.00 H new ATOM 0 HG21 VAL A 106 4.914 8.296 -15.193 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.348 8.017 -14.396 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.420 9.316 -13.821 1.00 0.00 H new ATOM 1671 N ASP A 107 2.787 5.496 -12.289 1.00 0.00 N ATOM 1672 CA ASP A 107 1.489 4.862 -12.486 1.00 0.00 C ATOM 1673 C ASP A 107 0.415 5.555 -11.653 1.00 0.00 C ATOM 1674 O ASP A 107 -0.619 5.973 -12.177 1.00 0.00 O ATOM 1675 CB ASP A 107 1.560 3.380 -12.118 1.00 0.00 C ATOM 1676 CG ASP A 107 2.225 2.547 -13.196 1.00 0.00 C ATOM 1677 OD1 ASP A 107 2.449 3.079 -14.304 1.00 0.00 O ATOM 1678 OD2 ASP A 107 2.524 1.364 -12.931 1.00 0.00 O ATOM 0 H ASP A 107 3.577 4.850 -12.295 1.00 0.00 H new ATOM 0 HA ASP A 107 1.223 4.954 -13.539 1.00 0.00 H new ATOM 0 HB2 ASP A 107 2.110 3.267 -11.184 1.00 0.00 H new ATOM 0 HB3 ASP A 107 0.552 3.004 -11.942 1.00 0.00 H new ATOM 1683 N LEU A 108 0.665 5.672 -10.353 1.00 0.00 N ATOM 1684 CA LEU A 108 -0.281 6.313 -9.447 1.00 0.00 C ATOM 1685 C LEU A 108 -0.231 7.831 -9.591 1.00 0.00 C ATOM 1686 O LEU A 108 -1.265 8.486 -9.723 1.00 0.00 O ATOM 1687 CB LEU A 108 0.020 5.917 -8.000 1.00 0.00 C ATOM 1688 CG LEU A 108 -0.759 6.671 -6.922 1.00 0.00 C ATOM 1689 CD1 LEU A 108 -2.209 6.214 -6.892 1.00 0.00 C ATOM 1690 CD2 LEU A 108 -0.109 6.476 -5.560 1.00 0.00 C ATOM 0 H LEU A 108 1.515 5.331 -9.903 1.00 0.00 H new ATOM 0 HA LEU A 108 -1.283 5.974 -9.710 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -0.181 4.852 -7.887 1.00 0.00 H new ATOM 0 HB3 LEU A 108 1.085 6.062 -7.819 1.00 0.00 H new ATOM 0 HG LEU A 108 -0.740 7.734 -7.164 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -2.747 6.762 -6.119 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.671 6.406 -7.861 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.250 5.147 -6.675 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -0.677 7.020 -4.805 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.097 5.415 -5.311 1.00 0.00 H new ATOM 0 HD23 LEU A 108 0.913 6.854 -5.587 1.00 0.00 H new ATOM 1702 N TRP A 109 0.977 8.382 -9.568 1.00 0.00 N ATOM 1703 CA TRP A 109 1.162 9.823 -9.699 1.00 0.00 C ATOM 1704 C TRP A 109 0.452 10.352 -10.940 1.00 0.00 C ATOM 1705 O TRP A 109 -0.528 11.090 -10.837 1.00 0.00 O ATOM 1706 CB TRP A 109 2.652 10.163 -9.765 1.00 0.00 C ATOM 1707 CG TRP A 109 2.950 11.592 -9.427 1.00 0.00 C ATOM 1708 CD1 TRP A 109 2.795 12.197 -8.212 1.00 0.00 C ATOM 1709 CD2 TRP A 109 3.454 12.595 -10.315 1.00 0.00 C ATOM 1710 NE1 TRP A 109 3.171 13.516 -8.292 1.00 0.00 N ATOM 1711 CE2 TRP A 109 3.581 13.785 -9.571 1.00 0.00 C ATOM 1712 CE3 TRP A 109 3.813 12.604 -11.665 1.00 0.00 C ATOM 1713 CZ2 TRP A 109 4.049 14.969 -10.135 1.00 0.00 C ATOM 1714 CZ3 TRP A 109 4.278 13.780 -12.223 1.00 0.00 C ATOM 1715 CH2 TRP A 109 4.393 14.949 -11.459 1.00 0.00 C ATOM 0 H TRP A 109 1.843 7.853 -9.460 1.00 0.00 H new ATOM 0 HA TRP A 109 0.726 10.301 -8.822 1.00 0.00 H new ATOM 0 HB2 TRP A 109 3.196 9.514 -9.079 1.00 0.00 H new ATOM 0 HB3 TRP A 109 3.022 9.949 -10.768 1.00 0.00 H new ATOM 0 HD1 TRP A 109 2.430 11.710 -7.320 1.00 0.00 H new ATOM 0 HE1 TRP A 109 3.148 14.186 -7.524 1.00 0.00 H new ATOM 0 HE3 TRP A 109 3.729 11.708 -12.262 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 4.137 15.871 -9.548 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 4.558 13.798 -13.266 1.00 0.00 H new ATOM 0 HH2 TRP A 109 4.760 15.852 -11.924 1.00 0.00 H new ATOM 1726 N GLU A 110 0.952 9.971 -12.111 1.00 0.00 N ATOM 1727 CA GLU A 110 0.364 10.409 -13.371 1.00 0.00 C ATOM 1728 C GLU A 110 -0.959 9.695 -13.632 1.00 0.00 C ATOM 1729 O GLU A 110 -1.729 10.091 -14.506 1.00 0.00 O ATOM 1730 CB GLU A 110 1.331 10.151 -14.528 1.00 0.00 C ATOM 1731 CG GLU A 110 2.276 11.309 -14.801 1.00 0.00 C ATOM 1732 CD GLU A 110 2.701 11.384 -16.255 1.00 0.00 C ATOM 1733 OE1 GLU A 110 3.438 10.482 -16.705 1.00 0.00 O ATOM 1734 OE2 GLU A 110 2.298 12.345 -16.943 1.00 0.00 O ATOM 0 H GLU A 110 1.763 9.360 -12.213 1.00 0.00 H new ATOM 0 HA GLU A 110 0.172 11.479 -13.299 1.00 0.00 H new ATOM 0 HB2 GLU A 110 1.917 9.259 -14.308 1.00 0.00 H new ATOM 0 HB3 GLU A 110 0.757 9.941 -15.430 1.00 0.00 H new ATOM 0 HG2 GLU A 110 1.791 12.243 -14.519 1.00 0.00 H new ATOM 0 HG3 GLU A 110 3.161 11.207 -14.172 1.00 0.00 H new ATOM 1741 N GLY A 111 -1.216 8.639 -12.866 1.00 0.00 N ATOM 1742 CA GLY A 111 -2.446 7.885 -13.029 1.00 0.00 C ATOM 1743 C GLY A 111 -2.535 7.208 -14.382 1.00 0.00 C ATOM 1744 O GLY A 111 -3.508 7.392 -15.114 1.00 0.00 O ATOM 0 H GLY A 111 -0.595 8.292 -12.135 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -2.514 7.132 -12.244 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -3.298 8.553 -12.904 1.00 0.00 H new ATOM 1748 N LYS A 112 -1.518 6.422 -14.717 1.00 0.00 N ATOM 1749 CA LYS A 112 -1.484 5.714 -15.991 1.00 0.00 C ATOM 1750 C LYS A 112 -2.082 4.318 -15.854 1.00 0.00 C ATOM 1751 O LYS A 112 -2.801 3.851 -16.736 1.00 0.00 O ATOM 1752 CB LYS A 112 -0.046 5.617 -16.506 1.00 0.00 C ATOM 1753 CG LYS A 112 0.416 6.853 -17.257 1.00 0.00 C ATOM 1754 CD LYS A 112 1.774 6.637 -17.905 1.00 0.00 C ATOM 1755 CE LYS A 112 2.535 7.946 -18.052 1.00 0.00 C ATOM 1756 NZ LYS A 112 2.005 8.773 -19.171 1.00 0.00 N ATOM 0 H LYS A 112 -0.705 6.259 -14.123 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.082 6.277 -16.707 1.00 0.00 H new ATOM 0 HB2 LYS A 112 0.622 5.444 -15.662 1.00 0.00 H new ATOM 0 HB3 LYS A 112 0.038 4.751 -17.162 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -0.317 7.110 -18.022 1.00 0.00 H new ATOM 0 HG3 LYS A 112 0.470 7.698 -16.571 1.00 0.00 H new ATOM 0 HD2 LYS A 112 2.359 5.940 -17.304 1.00 0.00 H new ATOM 0 HD3 LYS A 112 1.642 6.179 -18.885 1.00 0.00 H new ATOM 0 HE2 LYS A 112 2.471 8.510 -17.121 1.00 0.00 H new ATOM 0 HE3 LYS A 112 3.590 7.735 -18.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 2.550 9.656 -19.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 2.090 8.245 -20.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 1.005 8.996 -18.994 1.00 0.00 H new ATOM 1770 N ASN A 113 -1.780 3.657 -14.741 1.00 0.00 N ATOM 1771 CA ASN A 113 -2.289 2.314 -14.488 1.00 0.00 C ATOM 1772 C ASN A 113 -3.019 2.251 -13.150 1.00 0.00 C ATOM 1773 O ASN A 113 -2.494 1.726 -12.169 1.00 0.00 O ATOM 1774 CB ASN A 113 -1.143 1.300 -14.504 1.00 0.00 C ATOM 1775 CG ASN A 113 -0.703 0.947 -15.912 1.00 0.00 C ATOM 1776 OD1 ASN A 113 -1.526 0.827 -16.819 1.00 0.00 O ATOM 1777 ND2 ASN A 113 0.601 0.779 -16.099 1.00 0.00 N ATOM 0 H ASN A 113 -1.186 4.029 -14.000 1.00 0.00 H new ATOM 0 HA ASN A 113 -2.996 2.066 -15.280 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -0.295 1.705 -13.952 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -1.456 0.393 -13.986 1.00 0.00 H new ATOM 0 HD21 ASN A 113 0.957 0.540 -17.025 1.00 0.00 H new ATOM 0 HD22 ASN A 113 1.247 0.889 -15.317 1.00 0.00 H new ATOM 1784 N MET A 114 -4.233 2.791 -13.118 1.00 0.00 N ATOM 1785 CA MET A 114 -5.036 2.795 -11.901 1.00 0.00 C ATOM 1786 C MET A 114 -5.243 1.376 -11.381 1.00 0.00 C ATOM 1787 O MET A 114 -5.602 1.176 -10.221 1.00 0.00 O ATOM 1788 CB MET A 114 -6.390 3.458 -12.160 1.00 0.00 C ATOM 1789 CG MET A 114 -7.083 3.940 -10.895 1.00 0.00 C ATOM 1790 SD MET A 114 -6.252 5.353 -10.144 1.00 0.00 S ATOM 1791 CE MET A 114 -5.786 4.667 -8.556 1.00 0.00 C ATOM 0 H MET A 114 -4.682 3.231 -13.921 1.00 0.00 H new ATOM 0 HA MET A 114 -4.499 3.366 -11.143 1.00 0.00 H new ATOM 0 HB2 MET A 114 -6.248 4.305 -12.832 1.00 0.00 H new ATOM 0 HB3 MET A 114 -7.040 2.749 -12.673 1.00 0.00 H new ATOM 0 HG2 MET A 114 -8.112 4.211 -11.130 1.00 0.00 H new ATOM 0 HG3 MET A 114 -7.125 3.123 -10.175 1.00 0.00 H new ATOM 0 HE1 MET A 114 -6.083 5.352 -7.762 1.00 0.00 H new ATOM 0 HE2 MET A 114 -6.285 3.708 -8.413 1.00 0.00 H new ATOM 0 HE3 MET A 114 -4.706 4.522 -8.525 1.00 0.00 H new ATOM 1801 N ALA A 115 -5.014 0.394 -12.247 1.00 0.00 N ATOM 1802 CA ALA A 115 -5.173 -1.006 -11.875 1.00 0.00 C ATOM 1803 C ALA A 115 -3.897 -1.556 -11.248 1.00 0.00 C ATOM 1804 O ALA A 115 -3.932 -2.537 -10.504 1.00 0.00 O ATOM 1805 CB ALA A 115 -5.567 -1.834 -13.089 1.00 0.00 C ATOM 0 H ALA A 115 -4.718 0.543 -13.212 1.00 0.00 H new ATOM 0 HA ALA A 115 -5.968 -1.070 -11.132 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -5.682 -2.878 -12.796 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -6.510 -1.464 -13.491 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -4.791 -1.755 -13.851 1.00 0.00 H new ATOM 1811 N CYS A 116 -2.771 -0.920 -11.554 1.00 0.00 N ATOM 1812 CA CYS A 116 -1.482 -1.348 -11.022 1.00 0.00 C ATOM 1813 C CYS A 116 -1.415 -1.122 -9.515 1.00 0.00 C ATOM 1814 O CYS A 116 -1.126 -2.043 -8.751 1.00 0.00 O ATOM 1815 CB CYS A 116 -0.346 -0.594 -11.714 1.00 0.00 C ATOM 1816 SG CYS A 116 0.274 -1.402 -13.208 1.00 0.00 S ATOM 0 H CYS A 116 -2.725 -0.106 -12.168 1.00 0.00 H new ATOM 0 HA CYS A 116 -1.372 -2.415 -11.217 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -0.693 0.407 -11.972 1.00 0.00 H new ATOM 0 HB3 CYS A 116 0.478 -0.474 -11.010 1.00 0.00 H new ATOM 0 HG CYS A 116 1.076 -0.595 -13.837 1.00 0.00 H new ATOM 1822 N VAL A 117 -1.682 0.110 -9.094 1.00 0.00 N ATOM 1823 CA VAL A 117 -1.651 0.458 -7.678 1.00 0.00 C ATOM 1824 C VAL A 117 -2.871 -0.094 -6.950 1.00 0.00 C ATOM 1825 O VAL A 117 -2.817 -0.373 -5.752 1.00 0.00 O ATOM 1826 CB VAL A 117 -1.593 1.984 -7.476 1.00 0.00 C ATOM 1827 CG1 VAL A 117 -2.757 2.661 -8.182 1.00 0.00 C ATOM 1828 CG2 VAL A 117 -1.586 2.324 -5.993 1.00 0.00 C ATOM 0 H VAL A 117 -1.922 0.884 -9.713 1.00 0.00 H new ATOM 0 HA VAL A 117 -0.749 0.010 -7.261 1.00 0.00 H new ATOM 0 HB VAL A 117 -0.668 2.357 -7.915 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -2.699 3.738 -8.028 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -2.711 2.444 -9.249 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -3.697 2.286 -7.776 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -1.545 3.406 -5.868 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -2.493 1.939 -5.527 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -0.715 1.871 -5.520 1.00 0.00 H new ATOM 1838 N GLN A 118 -3.970 -0.250 -7.681 1.00 0.00 N ATOM 1839 CA GLN A 118 -5.204 -0.769 -7.104 1.00 0.00 C ATOM 1840 C GLN A 118 -5.003 -2.183 -6.570 1.00 0.00 C ATOM 1841 O GLN A 118 -5.570 -2.556 -5.543 1.00 0.00 O ATOM 1842 CB GLN A 118 -6.323 -0.759 -8.147 1.00 0.00 C ATOM 1843 CG GLN A 118 -7.110 0.541 -8.183 1.00 0.00 C ATOM 1844 CD GLN A 118 -8.054 0.684 -7.005 1.00 0.00 C ATOM 1845 OE1 GLN A 118 -8.860 -0.343 -6.764 1.00 0.00 O flip ATOM 1846 NE2 GLN A 118 -8.059 1.707 -6.319 1.00 0.00 N flip ATOM 0 H GLN A 118 -4.031 -0.024 -8.674 1.00 0.00 H new ATOM 0 HA GLN A 118 -5.486 -0.123 -6.272 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -5.892 -0.940 -9.132 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -7.007 -1.582 -7.942 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -6.416 1.381 -8.192 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -7.682 0.590 -9.110 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -7.422 2.472 -6.540 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -8.700 1.789 -5.530 1.00 0.00 H new ATOM 1855 N ARG A 119 -4.193 -2.967 -7.275 1.00 0.00 N ATOM 1856 CA ARG A 119 -3.919 -4.341 -6.873 1.00 0.00 C ATOM 1857 C ARG A 119 -2.731 -4.401 -5.916 1.00 0.00 C ATOM 1858 O ARG A 119 -2.542 -5.388 -5.205 1.00 0.00 O ATOM 1859 CB ARG A 119 -3.641 -5.209 -8.102 1.00 0.00 C ATOM 1860 CG ARG A 119 -3.287 -6.648 -7.764 1.00 0.00 C ATOM 1861 CD ARG A 119 -3.375 -7.546 -8.988 1.00 0.00 C ATOM 1862 NE ARG A 119 -2.800 -8.866 -8.741 1.00 0.00 N ATOM 1863 CZ ARG A 119 -3.044 -9.927 -9.501 1.00 0.00 C ATOM 1864 NH1 ARG A 119 -3.847 -9.824 -10.551 1.00 0.00 N ATOM 1865 NH2 ARG A 119 -2.484 -11.095 -9.212 1.00 0.00 N ATOM 0 H ARG A 119 -3.715 -2.674 -8.127 1.00 0.00 H new ATOM 0 HA ARG A 119 -4.799 -4.724 -6.357 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -4.519 -5.202 -8.748 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -2.823 -4.767 -8.671 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -2.278 -6.689 -7.353 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -3.961 -7.018 -6.991 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -4.419 -7.655 -9.284 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -2.855 -7.074 -9.822 1.00 0.00 H new ATOM 0 HE ARG A 119 -2.177 -8.979 -7.941 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -4.279 -8.928 -10.777 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -4.033 -10.641 -11.133 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -1.865 -11.178 -8.405 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -2.672 -11.909 -9.797 1.00 0.00 H new ATOM 1879 N THR A 120 -1.933 -3.337 -5.904 1.00 0.00 N ATOM 1880 CA THR A 120 -0.764 -3.269 -5.037 1.00 0.00 C ATOM 1881 C THR A 120 -1.171 -3.126 -3.575 1.00 0.00 C ATOM 1882 O THR A 120 -0.654 -3.826 -2.704 1.00 0.00 O ATOM 1883 CB THR A 120 0.152 -2.091 -5.421 1.00 0.00 C ATOM 1884 OG1 THR A 120 0.715 -2.312 -6.719 1.00 0.00 O ATOM 1885 CG2 THR A 120 1.267 -1.919 -4.401 1.00 0.00 C ATOM 0 H THR A 120 -2.076 -2.511 -6.485 1.00 0.00 H new ATOM 0 HA THR A 120 -0.218 -4.203 -5.169 1.00 0.00 H new ATOM 0 HB THR A 120 -0.448 -1.181 -5.436 1.00 0.00 H new ATOM 0 HG1 THR A 120 0.693 -3.269 -6.927 1.00 0.00 H new ATOM 0 HG21 THR A 120 1.901 -1.082 -4.693 1.00 0.00 H new ATOM 0 HG22 THR A 120 0.835 -1.723 -3.420 1.00 0.00 H new ATOM 0 HG23 THR A 120 1.865 -2.829 -4.359 1.00 0.00 H new ATOM 1893 N LEU A 121 -2.102 -2.215 -3.312 1.00 0.00 N ATOM 1894 CA LEU A 121 -2.580 -1.980 -1.954 1.00 0.00 C ATOM 1895 C LEU A 121 -3.281 -3.217 -1.402 1.00 0.00 C ATOM 1896 O LEU A 121 -2.892 -3.753 -0.365 1.00 0.00 O ATOM 1897 CB LEU A 121 -3.533 -0.784 -1.927 1.00 0.00 C ATOM 1898 CG LEU A 121 -2.934 0.561 -2.338 1.00 0.00 C ATOM 1899 CD1 LEU A 121 -4.015 1.629 -2.405 1.00 0.00 C ATOM 1900 CD2 LEU A 121 -1.834 0.973 -1.370 1.00 0.00 C ATOM 0 H LEU A 121 -2.541 -1.627 -4.021 1.00 0.00 H new ATOM 0 HA LEU A 121 -1.717 -1.763 -1.324 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -4.374 -1.001 -2.585 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -3.934 -0.687 -0.918 1.00 0.00 H new ATOM 0 HG LEU A 121 -2.496 0.454 -3.330 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -3.570 2.579 -2.699 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -4.768 1.339 -3.138 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -4.483 1.735 -1.426 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -1.419 1.933 -1.678 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -2.248 1.062 -0.366 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -1.046 0.220 -1.372 1.00 0.00 H new ATOM 1912 N MET A 122 -4.317 -3.666 -2.104 1.00 0.00 N ATOM 1913 CA MET A 122 -5.070 -4.843 -1.686 1.00 0.00 C ATOM 1914 C MET A 122 -4.146 -5.893 -1.079 1.00 0.00 C ATOM 1915 O MET A 122 -4.494 -6.546 -0.097 1.00 0.00 O ATOM 1916 CB MET A 122 -5.828 -5.438 -2.874 1.00 0.00 C ATOM 1917 CG MET A 122 -7.096 -4.678 -3.228 1.00 0.00 C ATOM 1918 SD MET A 122 -8.229 -4.528 -1.834 1.00 0.00 S ATOM 1919 CE MET A 122 -8.842 -6.207 -1.713 1.00 0.00 C ATOM 0 H MET A 122 -4.654 -3.233 -2.964 1.00 0.00 H new ATOM 0 HA MET A 122 -5.787 -4.534 -0.925 1.00 0.00 H new ATOM 0 HB2 MET A 122 -5.170 -5.455 -3.743 1.00 0.00 H new ATOM 0 HB3 MET A 122 -6.085 -6.473 -2.649 1.00 0.00 H new ATOM 0 HG2 MET A 122 -6.831 -3.683 -3.584 1.00 0.00 H new ATOM 0 HG3 MET A 122 -7.602 -5.186 -4.049 1.00 0.00 H new ATOM 0 HE1 MET A 122 -9.932 -6.196 -1.690 1.00 0.00 H new ATOM 0 HE2 MET A 122 -8.503 -6.781 -2.575 1.00 0.00 H new ATOM 0 HE3 MET A 122 -8.464 -6.667 -0.800 1.00 0.00 H new ATOM 1929 N ASN A 123 -2.967 -6.051 -1.672 1.00 0.00 N ATOM 1930 CA ASN A 123 -1.993 -7.023 -1.190 1.00 0.00 C ATOM 1931 C ASN A 123 -1.572 -6.708 0.242 1.00 0.00 C ATOM 1932 O ASN A 123 -1.581 -7.583 1.110 1.00 0.00 O ATOM 1933 CB ASN A 123 -0.764 -7.040 -2.102 1.00 0.00 C ATOM 1934 CG ASN A 123 -0.945 -7.954 -3.299 1.00 0.00 C ATOM 1935 OD1 ASN A 123 -1.240 -9.140 -3.150 1.00 0.00 O ATOM 1936 ND2 ASN A 123 -0.768 -7.404 -4.495 1.00 0.00 N ATOM 0 H ASN A 123 -2.663 -5.518 -2.487 1.00 0.00 H new ATOM 0 HA ASN A 123 -2.462 -8.007 -1.204 1.00 0.00 H new ATOM 0 HB2 ASN A 123 -0.559 -6.027 -2.449 1.00 0.00 H new ATOM 0 HB3 ASN A 123 0.105 -7.363 -1.530 1.00 0.00 H new ATOM 0 HD21 ASN A 123 -0.876 -7.969 -5.337 1.00 0.00 H new ATOM 0 HD22 ASN A 123 -0.524 -6.417 -4.571 1.00 0.00 H new ATOM 1943 N LEU A 124 -1.206 -5.454 0.483 1.00 0.00 N ATOM 1944 CA LEU A 124 -0.783 -5.023 1.811 1.00 0.00 C ATOM 1945 C LEU A 124 -1.742 -5.534 2.881 1.00 0.00 C ATOM 1946 O LEU A 124 -1.318 -6.031 3.923 1.00 0.00 O ATOM 1947 CB LEU A 124 -0.701 -3.496 1.870 1.00 0.00 C ATOM 1948 CG LEU A 124 0.067 -2.911 3.056 1.00 0.00 C ATOM 1949 CD1 LEU A 124 1.533 -3.309 2.992 1.00 0.00 C ATOM 1950 CD2 LEU A 124 -0.076 -1.396 3.088 1.00 0.00 C ATOM 0 H LEU A 124 -1.194 -4.718 -0.223 1.00 0.00 H new ATOM 0 HA LEU A 124 0.204 -5.442 2.005 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -0.235 -3.141 0.951 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -1.716 -3.098 1.888 1.00 0.00 H new ATOM 0 HG LEU A 124 -0.357 -3.316 3.975 1.00 0.00 H new ATOM 0 HD11 LEU A 124 2.063 -2.883 3.844 1.00 0.00 H new ATOM 0 HD12 LEU A 124 1.617 -4.395 3.018 1.00 0.00 H new ATOM 0 HD13 LEU A 124 1.972 -2.934 2.067 1.00 0.00 H new ATOM 0 HD21 LEU A 124 0.477 -0.996 3.938 1.00 0.00 H new ATOM 0 HD22 LEU A 124 0.322 -0.973 2.165 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -1.129 -1.132 3.183 1.00 0.00 H new ATOM 1962 N GLY A 125 -3.039 -5.409 2.614 1.00 0.00 N ATOM 1963 CA GLY A 125 -4.038 -5.865 3.563 1.00 0.00 C ATOM 1964 C GLY A 125 -4.097 -7.376 3.663 1.00 0.00 C ATOM 1965 O GLY A 125 -3.886 -7.943 4.734 1.00 0.00 O ATOM 0 H GLY A 125 -3.415 -5.001 1.758 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -3.818 -5.447 4.546 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -5.016 -5.485 3.267 1.00 0.00 H new ATOM 1969 N GLY A 126 -4.385 -8.031 2.542 1.00 0.00 N ATOM 1970 CA GLY A 126 -4.468 -9.480 2.530 1.00 0.00 C ATOM 1971 C GLY A 126 -3.304 -10.133 3.250 1.00 0.00 C ATOM 1972 O GLY A 126 -3.494 -11.062 4.037 1.00 0.00 O ATOM 0 H GLY A 126 -4.562 -7.584 1.642 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -5.402 -9.791 2.998 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -4.496 -9.831 1.498 1.00 0.00 H new ATOM 1976 N LEU A 127 -2.097 -9.649 2.980 1.00 0.00 N ATOM 1977 CA LEU A 127 -0.897 -10.193 3.607 1.00 0.00 C ATOM 1978 C LEU A 127 -0.951 -10.025 5.122 1.00 0.00 C ATOM 1979 O LEU A 127 -0.723 -10.975 5.870 1.00 0.00 O ATOM 1980 CB LEU A 127 0.350 -9.504 3.050 1.00 0.00 C ATOM 1981 CG LEU A 127 0.834 -9.994 1.685 1.00 0.00 C ATOM 1982 CD1 LEU A 127 1.625 -8.905 0.977 1.00 0.00 C ATOM 1983 CD2 LEU A 127 1.676 -11.253 1.839 1.00 0.00 C ATOM 0 H LEU A 127 -1.923 -8.881 2.331 1.00 0.00 H new ATOM 0 HA LEU A 127 -0.848 -11.258 3.379 1.00 0.00 H new ATOM 0 HB2 LEU A 127 0.149 -8.435 2.980 1.00 0.00 H new ATOM 0 HB3 LEU A 127 1.161 -9.630 3.767 1.00 0.00 H new ATOM 0 HG LEU A 127 -0.037 -10.235 1.076 1.00 0.00 H new ATOM 0 HD11 LEU A 127 1.961 -9.272 0.007 1.00 0.00 H new ATOM 0 HD12 LEU A 127 0.991 -8.030 0.834 1.00 0.00 H new ATOM 0 HD13 LEU A 127 2.490 -8.632 1.582 1.00 0.00 H new ATOM 0 HD21 LEU A 127 2.012 -11.588 0.858 1.00 0.00 H new ATOM 0 HD22 LEU A 127 2.542 -11.037 2.465 1.00 0.00 H new ATOM 0 HD23 LEU A 127 1.078 -12.036 2.304 1.00 0.00 H new ATOM 1995 N ALA A 128 -1.256 -8.811 5.568 1.00 0.00 N ATOM 1996 CA ALA A 128 -1.344 -8.519 6.993 1.00 0.00 C ATOM 1997 C ALA A 128 -2.226 -9.538 7.708 1.00 0.00 C ATOM 1998 O ALA A 128 -1.852 -10.073 8.752 1.00 0.00 O ATOM 1999 CB ALA A 128 -1.877 -7.111 7.212 1.00 0.00 C ATOM 0 H ALA A 128 -1.446 -8.013 4.962 1.00 0.00 H new ATOM 0 HA ALA A 128 -0.341 -8.585 7.415 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -1.937 -6.907 8.281 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -1.207 -6.391 6.742 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -2.869 -7.025 6.770 1.00 0.00 H new ATOM 2005 N VAL A 129 -3.398 -9.801 7.140 1.00 0.00 N ATOM 2006 CA VAL A 129 -4.333 -10.756 7.723 1.00 0.00 C ATOM 2007 C VAL A 129 -3.696 -12.134 7.862 1.00 0.00 C ATOM 2008 O VAL A 129 -4.146 -12.960 8.655 1.00 0.00 O ATOM 2009 CB VAL A 129 -5.613 -10.877 6.874 1.00 0.00 C ATOM 2010 CG1 VAL A 129 -6.644 -11.742 7.584 1.00 0.00 C ATOM 2011 CG2 VAL A 129 -6.181 -9.500 6.568 1.00 0.00 C ATOM 0 H VAL A 129 -3.723 -9.366 6.276 1.00 0.00 H new ATOM 0 HA VAL A 129 -4.596 -10.379 8.712 1.00 0.00 H new ATOM 0 HB VAL A 129 -5.358 -11.358 5.930 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -7.541 -11.816 6.970 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -6.233 -12.738 7.748 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -6.898 -11.292 8.544 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -7.085 -9.604 5.968 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -6.422 -8.990 7.501 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -5.444 -8.917 6.016 1.00 0.00 H new ATOM 2021 N ALA A 130 -2.645 -12.375 7.085 1.00 0.00 N ATOM 2022 CA ALA A 130 -1.944 -13.652 7.123 1.00 0.00 C ATOM 2023 C ALA A 130 -0.807 -13.624 8.140 1.00 0.00 C ATOM 2024 O ALA A 130 0.007 -14.546 8.200 1.00 0.00 O ATOM 2025 CB ALA A 130 -1.410 -14.003 5.742 1.00 0.00 C ATOM 0 H ALA A 130 -2.261 -11.702 6.422 1.00 0.00 H new ATOM 0 HA ALA A 130 -2.654 -14.419 7.431 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -0.889 -14.959 5.786 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -2.239 -14.074 5.038 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -0.719 -13.228 5.411 1.00 0.00 H new ATOM 2031 N ARG A 131 -0.758 -12.561 8.937 1.00 0.00 N ATOM 2032 CA ARG A 131 0.280 -12.413 9.949 1.00 0.00 C ATOM 2033 C ARG A 131 -0.294 -12.612 11.349 1.00 0.00 C ATOM 2034 O ARG A 131 -1.499 -12.804 11.516 1.00 0.00 O ATOM 2035 CB ARG A 131 0.931 -11.033 9.845 1.00 0.00 C ATOM 2036 CG ARG A 131 1.176 -10.582 8.414 1.00 0.00 C ATOM 2037 CD ARG A 131 2.526 -11.060 7.902 1.00 0.00 C ATOM 2038 NE ARG A 131 3.626 -10.256 8.429 1.00 0.00 N ATOM 2039 CZ ARG A 131 4.871 -10.325 7.971 1.00 0.00 C ATOM 2040 NH1 ARG A 131 5.172 -11.156 6.982 1.00 0.00 N ATOM 2041 NH2 ARG A 131 5.818 -9.561 8.502 1.00 0.00 N ATOM 0 H ARG A 131 -1.425 -11.790 8.901 1.00 0.00 H new ATOM 0 HA ARG A 131 1.036 -13.178 9.772 1.00 0.00 H new ATOM 0 HB2 ARG A 131 0.295 -10.302 10.344 1.00 0.00 H new ATOM 0 HB3 ARG A 131 1.880 -11.047 10.380 1.00 0.00 H new ATOM 0 HG2 ARG A 131 0.385 -10.966 7.770 1.00 0.00 H new ATOM 0 HG3 ARG A 131 1.130 -9.494 8.361 1.00 0.00 H new ATOM 0 HD2 ARG A 131 2.672 -12.103 8.183 1.00 0.00 H new ATOM 0 HD3 ARG A 131 2.536 -11.019 6.813 1.00 0.00 H new ATOM 0 HE ARG A 131 3.427 -9.606 9.190 1.00 0.00 H new ATOM 0 HH11 ARG A 131 4.447 -11.744 6.571 1.00 0.00 H new ATOM 0 HH12 ARG A 131 6.129 -11.207 6.632 1.00 0.00 H new ATOM 0 HH21 ARG A 131 5.590 -8.920 9.262 1.00 0.00 H new ATOM 0 HH22 ARG A 131 6.774 -9.615 8.150 1.00 0.00 H new ATOM 2055 N ASP A 132 0.576 -12.565 12.352 1.00 0.00 N ATOM 2056 CA ASP A 132 0.157 -12.739 13.737 1.00 0.00 C ATOM 2057 C ASP A 132 0.607 -11.559 14.594 1.00 0.00 C ATOM 2058 O ASP A 132 0.572 -11.623 15.823 1.00 0.00 O ATOM 2059 CB ASP A 132 0.723 -14.042 14.304 1.00 0.00 C ATOM 2060 CG ASP A 132 0.551 -15.210 13.353 1.00 0.00 C ATOM 2061 OD1 ASP A 132 1.101 -15.149 12.233 1.00 0.00 O ATOM 2062 OD2 ASP A 132 -0.132 -16.185 13.729 1.00 0.00 O ATOM 0 H ASP A 132 1.577 -12.408 12.231 1.00 0.00 H new ATOM 0 HA ASP A 132 -0.932 -12.786 13.758 1.00 0.00 H new ATOM 0 HB2 ASP A 132 1.782 -13.909 14.524 1.00 0.00 H new ATOM 0 HB3 ASP A 132 0.228 -14.270 15.248 1.00 0.00 H new ATOM 2067 N ASP A 133 1.029 -10.485 13.937 1.00 0.00 N ATOM 2068 CA ASP A 133 1.487 -9.291 14.637 1.00 0.00 C ATOM 2069 C ASP A 133 0.374 -8.711 15.505 1.00 0.00 C ATOM 2070 O ASP A 133 0.626 -8.198 16.594 1.00 0.00 O ATOM 2071 CB ASP A 133 1.971 -8.240 13.637 1.00 0.00 C ATOM 2072 CG ASP A 133 1.074 -8.145 12.418 1.00 0.00 C ATOM 2073 OD1 ASP A 133 -0.141 -7.917 12.592 1.00 0.00 O ATOM 2074 OD2 ASP A 133 1.588 -8.301 11.290 1.00 0.00 O ATOM 0 H ASP A 133 1.063 -10.417 12.920 1.00 0.00 H new ATOM 0 HA ASP A 133 2.318 -9.575 15.283 1.00 0.00 H new ATOM 0 HB2 ASP A 133 2.015 -7.268 14.129 1.00 0.00 H new ATOM 0 HB3 ASP A 133 2.985 -8.484 13.320 1.00 0.00 H new ATOM 2079 N GLY A 134 -0.858 -8.794 15.012 1.00 0.00 N ATOM 2080 CA GLY A 134 -1.991 -8.273 15.755 1.00 0.00 C ATOM 2081 C GLY A 134 -2.038 -6.757 15.751 1.00 0.00 C ATOM 2082 O GLY A 134 -2.329 -6.135 16.774 1.00 0.00 O ATOM 0 H GLY A 134 -1.092 -9.213 14.112 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -2.914 -8.663 15.326 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -1.942 -8.629 16.784 1.00 0.00 H new ATOM 2086 N LEU A 135 -1.749 -6.161 14.600 1.00 0.00 N ATOM 2087 CA LEU A 135 -1.758 -4.708 14.468 1.00 0.00 C ATOM 2088 C LEU A 135 -2.732 -4.266 13.381 1.00 0.00 C ATOM 2089 O LEU A 135 -3.332 -3.195 13.468 1.00 0.00 O ATOM 2090 CB LEU A 135 -0.352 -4.197 14.147 1.00 0.00 C ATOM 2091 CG LEU A 135 0.779 -4.760 15.008 1.00 0.00 C ATOM 2092 CD1 LEU A 135 2.121 -4.569 14.317 1.00 0.00 C ATOM 2093 CD2 LEU A 135 0.785 -4.101 16.380 1.00 0.00 C ATOM 0 H LEU A 135 -1.506 -6.661 13.745 1.00 0.00 H new ATOM 0 HA LEU A 135 -2.085 -4.284 15.417 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -0.134 -4.423 13.103 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -0.350 -3.111 14.245 1.00 0.00 H new ATOM 0 HG LEU A 135 0.610 -5.829 15.142 1.00 0.00 H new ATOM 0 HD11 LEU A 135 2.914 -4.976 14.944 1.00 0.00 H new ATOM 0 HD12 LEU A 135 2.114 -5.088 13.359 1.00 0.00 H new ATOM 0 HD13 LEU A 135 2.297 -3.506 14.152 1.00 0.00 H new ATOM 0 HD21 LEU A 135 1.597 -4.514 16.979 1.00 0.00 H new ATOM 0 HD22 LEU A 135 0.928 -3.026 16.267 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -0.166 -4.290 16.878 1.00 0.00 H new ATOM 2105 N PHE A 136 -2.886 -5.100 12.357 1.00 0.00 N ATOM 2106 CA PHE A 136 -3.789 -4.796 11.253 1.00 0.00 C ATOM 2107 C PHE A 136 -5.157 -4.363 11.773 1.00 0.00 C ATOM 2108 O PHE A 136 -5.627 -4.854 12.799 1.00 0.00 O ATOM 2109 CB PHE A 136 -3.940 -6.014 10.340 1.00 0.00 C ATOM 2110 CG PHE A 136 -5.251 -6.056 9.608 1.00 0.00 C ATOM 2111 CD1 PHE A 136 -6.397 -6.512 10.239 1.00 0.00 C ATOM 2112 CD2 PHE A 136 -5.337 -5.640 8.290 1.00 0.00 C ATOM 2113 CE1 PHE A 136 -7.605 -6.552 9.568 1.00 0.00 C ATOM 2114 CE2 PHE A 136 -6.542 -5.677 7.613 1.00 0.00 C ATOM 2115 CZ PHE A 136 -7.678 -6.133 8.254 1.00 0.00 C ATOM 0 H PHE A 136 -2.397 -5.991 12.269 1.00 0.00 H new ATOM 0 HA PHE A 136 -3.360 -3.973 10.681 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -3.127 -6.017 9.614 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -3.837 -6.920 10.937 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -6.346 -6.840 11.267 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -4.452 -5.282 7.785 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -8.491 -6.911 10.071 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -6.595 -5.350 6.585 1.00 0.00 H new ATOM 0 HZ PHE A 136 -8.621 -6.162 7.729 1.00 0.00 H new ATOM 2125 N SER A 137 -5.791 -3.440 11.056 1.00 0.00 N ATOM 2126 CA SER A 137 -7.103 -2.937 11.446 1.00 0.00 C ATOM 2127 C SER A 137 -8.120 -3.148 10.328 1.00 0.00 C ATOM 2128 O SER A 137 -7.761 -3.503 9.206 1.00 0.00 O ATOM 2129 CB SER A 137 -7.018 -1.451 11.800 1.00 0.00 C ATOM 2130 OG SER A 137 -8.062 -1.077 12.682 1.00 0.00 O ATOM 0 H SER A 137 -5.417 -3.026 10.202 1.00 0.00 H new ATOM 0 HA SER A 137 -7.433 -3.494 12.323 1.00 0.00 H new ATOM 0 HB2 SER A 137 -6.054 -1.238 12.262 1.00 0.00 H new ATOM 0 HB3 SER A 137 -7.074 -0.853 10.890 1.00 0.00 H new ATOM 0 HG SER A 137 -7.985 -0.123 12.895 1.00 0.00 H new ATOM 2136 N GLY A 138 -9.392 -2.927 10.644 1.00 0.00 N ATOM 2137 CA GLY A 138 -10.442 -3.097 9.657 1.00 0.00 C ATOM 2138 C GLY A 138 -10.920 -4.533 9.561 1.00 0.00 C ATOM 2139 O GLY A 138 -10.240 -5.452 10.019 1.00 0.00 O ATOM 0 H GLY A 138 -9.714 -2.633 11.566 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -11.284 -2.453 9.912 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -10.077 -2.773 8.683 1.00 0.00 H new ATOM 2143 N ASP A 139 -12.091 -4.726 8.966 1.00 0.00 N ATOM 2144 CA ASP A 139 -12.659 -6.060 8.811 1.00 0.00 C ATOM 2145 C ASP A 139 -11.689 -6.983 8.081 1.00 0.00 C ATOM 2146 O ASP A 139 -11.184 -6.666 7.004 1.00 0.00 O ATOM 2147 CB ASP A 139 -13.985 -5.989 8.051 1.00 0.00 C ATOM 2148 CG ASP A 139 -15.173 -5.805 8.974 1.00 0.00 C ATOM 2149 OD1 ASP A 139 -15.113 -4.913 9.846 1.00 0.00 O ATOM 2150 OD2 ASP A 139 -16.162 -6.553 8.826 1.00 0.00 O ATOM 0 H ASP A 139 -12.666 -3.976 8.583 1.00 0.00 H new ATOM 0 HA ASP A 139 -12.841 -6.467 9.806 1.00 0.00 H new ATOM 0 HB2 ASP A 139 -13.949 -5.163 7.341 1.00 0.00 H new ATOM 0 HB3 ASP A 139 -14.117 -6.902 7.471 1.00 0.00 H new ATOM 2155 N PRO A 140 -11.420 -8.153 8.679 1.00 0.00 N ATOM 2156 CA PRO A 140 -10.508 -9.146 8.103 1.00 0.00 C ATOM 2157 C PRO A 140 -11.082 -9.805 6.854 1.00 0.00 C ATOM 2158 O PRO A 140 -10.357 -10.429 6.081 1.00 0.00 O ATOM 2159 CB PRO A 140 -10.349 -10.175 9.225 1.00 0.00 C ATOM 2160 CG PRO A 140 -11.593 -10.047 10.035 1.00 0.00 C ATOM 2161 CD PRO A 140 -11.987 -8.597 9.964 1.00 0.00 C ATOM 0 HA PRO A 140 -9.568 -8.697 7.781 1.00 0.00 H new ATOM 0 HB2 PRO A 140 -10.239 -11.183 8.825 1.00 0.00 H new ATOM 0 HB3 PRO A 140 -9.463 -9.972 9.826 1.00 0.00 H new ATOM 0 HG2 PRO A 140 -12.383 -10.686 9.640 1.00 0.00 H new ATOM 0 HG3 PRO A 140 -11.420 -10.354 11.066 1.00 0.00 H new ATOM 0 HD2 PRO A 140 -13.070 -8.473 9.990 1.00 0.00 H new ATOM 0 HD3 PRO A 140 -11.581 -8.029 10.801 1.00 0.00 H new ATOM 2169 N ASN A 141 -12.389 -9.661 6.662 1.00 0.00 N ATOM 2170 CA ASN A 141 -13.061 -10.243 5.506 1.00 0.00 C ATOM 2171 C ASN A 141 -12.675 -9.508 4.226 1.00 0.00 C ATOM 2172 O ASN A 141 -12.417 -10.130 3.195 1.00 0.00 O ATOM 2173 CB ASN A 141 -14.579 -10.198 5.695 1.00 0.00 C ATOM 2174 CG ASN A 141 -14.994 -10.525 7.117 1.00 0.00 C ATOM 2175 OD1 ASN A 141 -14.393 -11.377 7.770 1.00 0.00 O ATOM 2176 ND2 ASN A 141 -16.027 -9.846 7.602 1.00 0.00 N ATOM 0 H ASN A 141 -13.004 -9.146 7.292 1.00 0.00 H new ATOM 0 HA ASN A 141 -12.744 -11.282 5.418 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -14.946 -9.206 5.431 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -15.049 -10.904 5.011 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -16.352 -10.022 8.553 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -16.495 -9.148 7.024 1.00 0.00 H new ATOM 2183 N TRP A 142 -12.637 -8.183 4.300 1.00 0.00 N ATOM 2184 CA TRP A 142 -12.282 -7.363 3.147 1.00 0.00 C ATOM 2185 C TRP A 142 -11.227 -8.055 2.291 1.00 0.00 C ATOM 2186 O TRP A 142 -11.413 -8.238 1.088 1.00 0.00 O ATOM 2187 CB TRP A 142 -11.768 -5.997 3.606 1.00 0.00 C ATOM 2188 CG TRP A 142 -12.849 -5.103 4.134 1.00 0.00 C ATOM 2189 CD1 TRP A 142 -14.179 -5.155 3.827 1.00 0.00 C ATOM 2190 CD2 TRP A 142 -12.691 -4.022 5.059 1.00 0.00 C ATOM 2191 NE1 TRP A 142 -14.857 -4.172 4.506 1.00 0.00 N ATOM 2192 CE2 TRP A 142 -13.967 -3.464 5.269 1.00 0.00 C ATOM 2193 CE3 TRP A 142 -11.596 -3.473 5.732 1.00 0.00 C ATOM 2194 CZ2 TRP A 142 -14.175 -2.383 6.123 1.00 0.00 C ATOM 2195 CZ3 TRP A 142 -11.804 -2.401 6.579 1.00 0.00 C ATOM 2196 CH2 TRP A 142 -13.085 -1.865 6.769 1.00 0.00 C ATOM 0 H TRP A 142 -12.847 -7.653 5.146 1.00 0.00 H new ATOM 0 HA TRP A 142 -13.178 -7.222 2.543 1.00 0.00 H new ATOM 0 HB2 TRP A 142 -11.015 -6.142 4.381 1.00 0.00 H new ATOM 0 HB3 TRP A 142 -11.274 -5.503 2.770 1.00 0.00 H new ATOM 0 HD1 TRP A 142 -14.631 -5.865 3.150 1.00 0.00 H new ATOM 0 HE1 TRP A 142 -15.860 -3.998 4.451 1.00 0.00 H new ATOM 0 HE3 TRP A 142 -10.605 -3.879 5.593 1.00 0.00 H new ATOM 0 HZ2 TRP A 142 -15.161 -1.968 6.270 1.00 0.00 H new ATOM 0 HZ3 TRP A 142 -10.965 -1.969 7.104 1.00 0.00 H new ATOM 0 HH2 TRP A 142 -13.215 -1.027 7.438 1.00 0.00 H new ATOM 2207 N PHE A 143 -10.120 -8.439 2.919 1.00 0.00 N ATOM 2208 CA PHE A 143 -9.035 -9.111 2.213 1.00 0.00 C ATOM 2209 C PHE A 143 -9.044 -10.609 2.503 1.00 0.00 C ATOM 2210 O PHE A 143 -9.326 -11.050 3.617 1.00 0.00 O ATOM 2211 CB PHE A 143 -7.687 -8.510 2.616 1.00 0.00 C ATOM 2212 CG PHE A 143 -7.703 -7.011 2.711 1.00 0.00 C ATOM 2213 CD1 PHE A 143 -8.095 -6.382 3.882 1.00 0.00 C ATOM 2214 CD2 PHE A 143 -7.327 -6.231 1.629 1.00 0.00 C ATOM 2215 CE1 PHE A 143 -8.111 -5.003 3.973 1.00 0.00 C ATOM 2216 CE2 PHE A 143 -7.341 -4.852 1.714 1.00 0.00 C ATOM 2217 CZ PHE A 143 -7.734 -4.237 2.887 1.00 0.00 C ATOM 0 H PHE A 143 -9.951 -8.296 3.915 1.00 0.00 H new ATOM 0 HA PHE A 143 -9.185 -8.965 1.143 1.00 0.00 H new ATOM 0 HB2 PHE A 143 -7.387 -8.924 3.579 1.00 0.00 H new ATOM 0 HB3 PHE A 143 -6.932 -8.812 1.890 1.00 0.00 H new ATOM 0 HD1 PHE A 143 -8.391 -6.976 4.734 1.00 0.00 H new ATOM 0 HD2 PHE A 143 -7.020 -6.706 0.709 1.00 0.00 H new ATOM 0 HE1 PHE A 143 -8.418 -4.525 4.892 1.00 0.00 H new ATOM 0 HE2 PHE A 143 -7.045 -4.255 0.864 1.00 0.00 H new ATOM 0 HZ PHE A 143 -7.746 -3.159 2.955 1.00 0.00 H new ATOM 2227 N PRO A 144 -8.728 -11.411 1.475 1.00 0.00 N ATOM 2228 CA PRO A 144 -8.692 -12.872 1.594 1.00 0.00 C ATOM 2229 C PRO A 144 -7.531 -13.355 2.456 1.00 0.00 C ATOM 2230 O PRO A 144 -6.680 -12.567 2.869 1.00 0.00 O ATOM 2231 CB PRO A 144 -8.515 -13.341 0.147 1.00 0.00 C ATOM 2232 CG PRO A 144 -7.856 -12.198 -0.544 1.00 0.00 C ATOM 2233 CD PRO A 144 -8.381 -10.954 0.119 1.00 0.00 C ATOM 0 HA PRO A 144 -9.587 -13.264 2.078 1.00 0.00 H new ATOM 0 HB2 PRO A 144 -7.903 -14.241 0.095 1.00 0.00 H new ATOM 0 HB3 PRO A 144 -9.474 -13.581 -0.312 1.00 0.00 H new ATOM 0 HG2 PRO A 144 -6.772 -12.260 -0.454 1.00 0.00 H new ATOM 0 HG3 PRO A 144 -8.088 -12.200 -1.609 1.00 0.00 H new ATOM 0 HD2 PRO A 144 -7.631 -10.163 0.141 1.00 0.00 H new ATOM 0 HD3 PRO A 144 -9.249 -10.555 -0.405 1.00 0.00 H new