USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 765 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 98 THR OG1 : rot 132:sc= 0.0455 USER MOD Set 1.2: A 100 ASN : amide:sc= 0.024 K(o=0.07,f=-1.2) USER MOD Single : A 19 SER OG : rot -54:sc= 1.23 USER MOD Single : A 23 GLN : amide:sc= -3.59! C(o=-3.6!,f=-11!) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 SER OG : rot 10:sc= -0.108 USER MOD Single : A 31 ASN : amide:sc= -2.47 X(o=-2.5,f=-2.2!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 70:sc= -2.32! USER MOD Single : A 36 MET CE :methyl -173:sc= -6.25! (180deg=-6.56!) USER MOD Single : A 38 HIS : no HE2:sc= -1.34 K(o=-1.3,f=-2.6!) USER MOD Single : A 40 GLN : amide:sc= -4.57! C(o=-4.6!,f=-7!) USER MOD Single : A 46 THR OG1 : rot -15:sc= 0.41 USER MOD Single : A 47 GLN : amide:sc= -0.589 K(o=-0.59,f=-1.5) USER MOD Single : A 48 ASN : amide:sc= -1.17 K(o=-1.2,f=-3.6!) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= -1.03 USER MOD Single : A 55 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0173) USER MOD Single : A 58 TYR OH : rot 180:sc= -1.28 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc=-0.00184 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -45:sc= 0.889 USER MOD Single : A 76 GLN : amide:sc= -0.259 K(o=-0.26,f=-1.2) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -3.12 K(o=-3.1,f=-6.7!) USER MOD Single : A 88 THR OG1 : rot 76:sc= 0.594 USER MOD Single : A 90 TYR OH : rot 180:sc= -0.225 USER MOD Single : A 91 ASN : amide:sc= -1.49 K(o=-1.5,f=-2.7!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 80:sc= -0.247 USER MOD Single : A 110 SER OG : rot 17:sc= 0.0926 USER MOD Single : A 113 THR OG1 : rot 176:sc= 1.29 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 200 N VAL A 17 -3.475 12.811 -3.680 1.00 0.00 N ATOM 201 CA VAL A 17 -3.371 11.357 -3.652 1.00 0.00 C ATOM 202 C VAL A 17 -2.792 10.822 -4.957 1.00 0.00 C ATOM 203 O VAL A 17 -3.013 11.373 -6.035 1.00 0.00 O ATOM 204 CB VAL A 17 -4.742 10.701 -3.403 1.00 0.00 C ATOM 205 CG1 VAL A 17 -5.060 10.676 -1.916 1.00 0.00 C ATOM 206 CG2 VAL A 17 -5.829 11.431 -4.177 1.00 0.00 C ATOM 0 HA VAL A 17 -2.701 11.103 -2.830 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.703 9.671 -3.759 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.032 10.209 -1.760 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.295 10.106 -1.390 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.081 11.696 -1.531 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.791 10.955 -3.990 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.870 12.471 -3.854 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.606 11.391 -5.243 1.00 0.00 H new ATOM 216 N PRO A 18 -2.034 9.720 -4.860 1.00 0.00 N ATOM 217 CA PRO A 18 -1.408 9.084 -6.023 1.00 0.00 C ATOM 218 C PRO A 18 -2.430 8.419 -6.939 1.00 0.00 C ATOM 219 O PRO A 18 -3.417 7.849 -6.474 1.00 0.00 O ATOM 220 CB PRO A 18 -0.485 8.034 -5.400 1.00 0.00 C ATOM 221 CG PRO A 18 -1.098 7.728 -4.077 1.00 0.00 C ATOM 222 CD PRO A 18 -1.728 9.009 -3.607 1.00 0.00 C ATOM 0 HA PRO A 18 -0.889 9.807 -6.653 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -0.423 7.142 -6.023 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.530 8.416 -5.287 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.842 6.937 -4.165 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -0.345 7.380 -3.369 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.628 8.823 -3.021 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -1.049 9.582 -2.975 1.00 0.00 H new ATOM 230 N SER A 19 -2.187 8.495 -8.244 1.00 0.00 N ATOM 231 CA SER A 19 -3.088 7.903 -9.225 1.00 0.00 C ATOM 232 C SER A 19 -2.381 6.809 -10.021 1.00 0.00 C ATOM 233 O SER A 19 -2.658 6.609 -11.203 1.00 0.00 O ATOM 234 CB SER A 19 -3.619 8.978 -10.175 1.00 0.00 C ATOM 235 OG SER A 19 -4.425 8.407 -11.191 1.00 0.00 O ATOM 0 H SER A 19 -1.373 8.961 -8.646 1.00 0.00 H new ATOM 0 HA SER A 19 -3.925 7.456 -8.690 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.200 9.709 -9.613 1.00 0.00 H new ATOM 0 HB3 SER A 19 -2.784 9.513 -10.627 1.00 0.00 H new ATOM 0 HG SER A 19 -3.925 7.696 -11.645 1.00 0.00 H new ATOM 241 N ALA A 20 -1.467 6.104 -9.363 1.00 0.00 N ATOM 242 CA ALA A 20 -0.722 5.030 -10.007 1.00 0.00 C ATOM 243 C ALA A 20 -0.692 3.781 -9.132 1.00 0.00 C ATOM 244 O ALA A 20 -0.497 3.866 -7.920 1.00 0.00 O ATOM 245 CB ALA A 20 0.694 5.487 -10.325 1.00 0.00 C ATOM 0 H ALA A 20 -1.225 6.257 -8.384 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.229 4.778 -10.938 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.239 4.675 -10.806 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.657 6.346 -10.995 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.201 5.768 -9.402 1.00 0.00 H new ATOM 251 N ALA A 21 -0.888 2.623 -9.754 1.00 0.00 N ATOM 252 CA ALA A 21 -0.882 1.357 -9.032 1.00 0.00 C ATOM 253 C ALA A 21 0.290 0.484 -9.465 1.00 0.00 C ATOM 254 O ALA A 21 0.971 0.761 -10.453 1.00 0.00 O ATOM 255 CB ALA A 21 -2.197 0.623 -9.245 1.00 0.00 C ATOM 0 H ALA A 21 -1.053 2.536 -10.757 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.767 1.573 -7.970 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.179 -0.321 -8.700 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.020 1.237 -8.880 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.336 0.426 -10.308 1.00 0.00 H new ATOM 261 N PRO A 22 0.534 -0.597 -8.709 1.00 0.00 N ATOM 262 CA PRO A 22 1.625 -1.534 -8.996 1.00 0.00 C ATOM 263 C PRO A 22 1.370 -2.352 -10.257 1.00 0.00 C ATOM 264 O PRO A 22 0.231 -2.704 -10.560 1.00 0.00 O ATOM 265 CB PRO A 22 1.645 -2.443 -7.764 1.00 0.00 C ATOM 266 CG PRO A 22 0.258 -2.378 -7.223 1.00 0.00 C ATOM 267 CD PRO A 22 -0.237 -0.989 -7.517 1.00 0.00 C ATOM 0 HA PRO A 22 2.568 -1.018 -9.178 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.919 -3.464 -8.030 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.373 -2.099 -7.030 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -0.380 -3.127 -7.693 1.00 0.00 H new ATOM 0 HG3 PRO A 22 0.247 -2.577 -6.151 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.310 -0.977 -7.711 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.056 -0.313 -6.681 1.00 0.00 H new ATOM 275 N GLN A 23 2.439 -2.650 -10.989 1.00 0.00 N ATOM 276 CA GLN A 23 2.330 -3.427 -12.218 1.00 0.00 C ATOM 277 C GLN A 23 2.921 -4.821 -12.036 1.00 0.00 C ATOM 278 O GLN A 23 3.402 -5.165 -10.957 1.00 0.00 O ATOM 279 CB GLN A 23 3.038 -2.706 -13.367 1.00 0.00 C ATOM 280 CG GLN A 23 3.034 -1.192 -13.229 1.00 0.00 C ATOM 281 CD GLN A 23 4.240 -0.672 -12.472 1.00 0.00 C ATOM 282 OE1 GLN A 23 4.572 -1.168 -11.395 1.00 0.00 O ATOM 283 NE2 GLN A 23 4.903 0.333 -13.032 1.00 0.00 N ATOM 0 H GLN A 23 3.389 -2.365 -10.752 1.00 0.00 H new ATOM 0 HA GLN A 23 1.272 -3.530 -12.460 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.069 -3.055 -13.423 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.558 -2.978 -14.307 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.010 -0.741 -14.221 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.125 -0.880 -12.715 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.593 0.713 -13.926 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.723 0.724 -12.568 1.00 0.00 H new ATOM 292 N ASN A 24 2.882 -5.619 -13.098 1.00 0.00 N ATOM 293 CA ASN A 24 3.413 -6.976 -13.055 1.00 0.00 C ATOM 294 C ASN A 24 2.798 -7.765 -11.902 1.00 0.00 C ATOM 295 O ASN A 24 3.469 -8.573 -11.260 1.00 0.00 O ATOM 296 CB ASN A 24 4.936 -6.946 -12.910 1.00 0.00 C ATOM 297 CG ASN A 24 5.643 -6.927 -14.252 1.00 0.00 C ATOM 298 OD1 ASN A 24 6.160 -7.947 -14.707 1.00 0.00 O ATOM 299 ND2 ASN A 24 5.670 -5.763 -14.890 1.00 0.00 N ATOM 0 H ASN A 24 2.488 -5.349 -13.999 1.00 0.00 H new ATOM 0 HA ASN A 24 3.153 -7.470 -13.991 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.227 -6.066 -12.337 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.262 -7.818 -12.343 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.133 -5.689 -15.796 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.228 -4.943 -14.474 1.00 0.00 H new ATOM 306 N LEU A 25 1.516 -7.525 -11.647 1.00 0.00 N ATOM 307 CA LEU A 25 0.809 -8.213 -10.572 1.00 0.00 C ATOM 308 C LEU A 25 0.703 -9.707 -10.859 1.00 0.00 C ATOM 309 O LEU A 25 0.376 -10.114 -11.974 1.00 0.00 O ATOM 310 CB LEU A 25 -0.588 -7.617 -10.392 1.00 0.00 C ATOM 311 CG LEU A 25 -1.451 -8.248 -9.299 1.00 0.00 C ATOM 312 CD1 LEU A 25 -0.699 -8.282 -7.978 1.00 0.00 C ATOM 313 CD2 LEU A 25 -2.762 -7.489 -9.149 1.00 0.00 C ATOM 0 H LEU A 25 0.946 -6.860 -12.169 1.00 0.00 H new ATOM 0 HA LEU A 25 1.377 -8.078 -9.652 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.483 -6.554 -10.175 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.121 -7.698 -11.340 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.679 -9.273 -9.590 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.329 -8.734 -7.212 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.212 -8.870 -8.093 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.440 -7.266 -7.681 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.363 -7.952 -8.367 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.554 -6.453 -8.881 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.309 -7.517 -10.092 1.00 0.00 H new ATOM 325 N SER A 26 0.981 -10.520 -9.845 1.00 0.00 N ATOM 326 CA SER A 26 0.919 -11.970 -9.989 1.00 0.00 C ATOM 327 C SER A 26 0.498 -12.628 -8.678 1.00 0.00 C ATOM 328 O SER A 26 0.668 -12.057 -7.600 1.00 0.00 O ATOM 329 CB SER A 26 2.276 -12.518 -10.435 1.00 0.00 C ATOM 330 OG SER A 26 3.338 -11.758 -9.886 1.00 0.00 O ATOM 0 H SER A 26 1.251 -10.200 -8.915 1.00 0.00 H new ATOM 0 HA SER A 26 0.173 -12.204 -10.749 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.371 -13.559 -10.125 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.338 -12.503 -11.523 1.00 0.00 H new ATOM 0 HG SER A 26 2.985 -11.144 -9.209 1.00 0.00 H new ATOM 336 N LEU A 27 -0.053 -13.833 -8.779 1.00 0.00 N ATOM 337 CA LEU A 27 -0.500 -14.571 -7.602 1.00 0.00 C ATOM 338 C LEU A 27 0.038 -15.998 -7.619 1.00 0.00 C ATOM 339 O LEU A 27 -0.543 -16.882 -8.247 1.00 0.00 O ATOM 340 CB LEU A 27 -2.028 -14.590 -7.538 1.00 0.00 C ATOM 341 CG LEU A 27 -2.725 -13.245 -7.746 1.00 0.00 C ATOM 342 CD1 LEU A 27 -4.236 -13.416 -7.713 1.00 0.00 C ATOM 343 CD2 LEU A 27 -2.277 -12.243 -6.693 1.00 0.00 C ATOM 0 H LEU A 27 -0.201 -14.320 -9.663 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.112 -14.066 -6.717 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.395 -15.287 -8.292 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.326 -14.985 -6.567 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.445 -12.861 -8.727 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.715 -12.448 -7.863 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.542 -14.099 -8.505 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.535 -13.823 -6.747 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.783 -11.292 -6.857 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.527 -12.621 -5.702 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.199 -12.097 -6.765 1.00 0.00 H new ATOM 355 N GLU A 28 1.149 -16.215 -6.922 1.00 0.00 N ATOM 356 CA GLU A 28 1.763 -17.536 -6.856 1.00 0.00 C ATOM 357 C GLU A 28 1.119 -18.380 -5.760 1.00 0.00 C ATOM 358 O GLU A 28 1.562 -18.369 -4.611 1.00 0.00 O ATOM 359 CB GLU A 28 3.267 -17.411 -6.602 1.00 0.00 C ATOM 360 CG GLU A 28 3.958 -18.745 -6.372 1.00 0.00 C ATOM 361 CD GLU A 28 3.981 -19.145 -4.909 1.00 0.00 C ATOM 362 OE1 GLU A 28 4.441 -18.331 -4.080 1.00 0.00 O ATOM 363 OE2 GLU A 28 3.541 -20.270 -4.594 1.00 0.00 O ATOM 0 H GLU A 28 1.642 -15.494 -6.396 1.00 0.00 H new ATOM 0 HA GLU A 28 1.604 -18.032 -7.814 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.731 -16.913 -7.454 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.429 -16.773 -5.733 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.449 -19.518 -6.948 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.980 -18.690 -6.746 1.00 0.00 H new ATOM 370 N VAL A 29 0.071 -19.112 -6.124 1.00 0.00 N ATOM 371 CA VAL A 29 -0.634 -19.963 -5.173 1.00 0.00 C ATOM 372 C VAL A 29 0.328 -20.912 -4.466 1.00 0.00 C ATOM 373 O VAL A 29 0.874 -21.829 -5.080 1.00 0.00 O ATOM 374 CB VAL A 29 -1.734 -20.788 -5.867 1.00 0.00 C ATOM 375 CG1 VAL A 29 -2.460 -21.666 -4.858 1.00 0.00 C ATOM 376 CG2 VAL A 29 -2.711 -19.872 -6.589 1.00 0.00 C ATOM 0 H VAL A 29 -0.308 -19.133 -7.071 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.094 -19.303 -4.438 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.265 -21.437 -6.607 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.234 -22.241 -5.367 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.749 -22.347 -4.391 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.918 -21.039 -4.093 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.481 -20.472 -7.074 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.175 -19.197 -5.870 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.177 -19.291 -7.341 1.00 0.00 H new ATOM 386 N ARG A 30 0.530 -20.686 -3.173 1.00 0.00 N ATOM 387 CA ARG A 30 1.427 -21.520 -2.382 1.00 0.00 C ATOM 388 C ARG A 30 0.731 -22.807 -1.948 1.00 0.00 C ATOM 389 O ARG A 30 1.274 -23.900 -2.103 1.00 0.00 O ATOM 390 CB ARG A 30 1.919 -20.754 -1.153 1.00 0.00 C ATOM 391 CG ARG A 30 2.615 -19.445 -1.488 1.00 0.00 C ATOM 392 CD ARG A 30 4.109 -19.643 -1.686 1.00 0.00 C ATOM 393 NE ARG A 30 4.750 -20.201 -0.498 1.00 0.00 N ATOM 394 CZ ARG A 30 6.066 -20.282 -0.342 1.00 0.00 C ATOM 395 NH1 ARG A 30 6.878 -19.844 -1.294 1.00 0.00 N ATOM 396 NH2 ARG A 30 6.573 -20.803 0.768 1.00 0.00 N ATOM 0 H ARG A 30 0.085 -19.932 -2.650 1.00 0.00 H new ATOM 0 HA ARG A 30 2.283 -21.782 -3.005 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.071 -20.548 -0.501 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.606 -21.387 -0.592 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.180 -19.022 -2.393 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.445 -18.726 -0.687 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.277 -20.307 -2.534 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.572 -18.687 -1.932 1.00 0.00 H new ATOM 0 HE ARG A 30 4.154 -20.548 0.253 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.492 -19.443 -2.149 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.889 -19.907 -1.171 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.952 -21.142 1.502 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.584 -20.865 0.887 1.00 0.00 H new ATOM 410 N ASN A 31 -0.473 -22.668 -1.404 1.00 0.00 N ATOM 411 CA ASN A 31 -1.243 -23.819 -0.947 1.00 0.00 C ATOM 412 C ASN A 31 -2.725 -23.642 -1.262 1.00 0.00 C ATOM 413 O ASN A 31 -3.143 -22.599 -1.765 1.00 0.00 O ATOM 414 CB ASN A 31 -1.051 -24.022 0.558 1.00 0.00 C ATOM 415 CG ASN A 31 0.336 -23.622 1.023 1.00 0.00 C ATOM 416 OD1 ASN A 31 1.340 -24.016 0.428 1.00 0.00 O ATOM 417 ND2 ASN A 31 0.398 -22.836 2.091 1.00 0.00 N ATOM 0 H ASN A 31 -0.937 -21.770 -1.269 1.00 0.00 H new ATOM 0 HA ASN A 31 -0.880 -24.701 -1.476 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -1.795 -23.437 1.099 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -1.227 -25.069 0.806 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.304 -22.534 2.450 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -0.460 -22.534 2.552 1.00 0.00 H new ATOM 424 N SER A 32 -3.515 -24.669 -0.963 1.00 0.00 N ATOM 425 CA SER A 32 -4.950 -24.629 -1.218 1.00 0.00 C ATOM 426 C SER A 32 -5.658 -23.740 -0.199 1.00 0.00 C ATOM 427 O SER A 32 -6.868 -23.528 -0.278 1.00 0.00 O ATOM 428 CB SER A 32 -5.536 -26.041 -1.174 1.00 0.00 C ATOM 429 OG SER A 32 -5.235 -26.681 0.055 1.00 0.00 O ATOM 0 H SER A 32 -3.185 -25.539 -0.544 1.00 0.00 H new ATOM 0 HA SER A 32 -5.106 -24.209 -2.212 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.617 -25.994 -1.308 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.138 -26.629 -2.001 1.00 0.00 H new ATOM 0 HG SER A 32 -5.622 -27.581 0.058 1.00 0.00 H new ATOM 435 N LYS A 33 -4.894 -23.223 0.757 1.00 0.00 N ATOM 436 CA LYS A 33 -5.445 -22.356 1.791 1.00 0.00 C ATOM 437 C LYS A 33 -4.719 -21.014 1.820 1.00 0.00 C ATOM 438 O LYS A 33 -5.204 -20.048 2.409 1.00 0.00 O ATOM 439 CB LYS A 33 -5.343 -23.032 3.160 1.00 0.00 C ATOM 440 CG LYS A 33 -3.914 -23.293 3.605 1.00 0.00 C ATOM 441 CD LYS A 33 -3.824 -23.483 5.110 1.00 0.00 C ATOM 442 CE LYS A 33 -3.684 -22.152 5.833 1.00 0.00 C ATOM 443 NZ LYS A 33 -3.855 -22.300 7.305 1.00 0.00 N ATOM 0 H LYS A 33 -3.891 -23.390 0.837 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.495 -22.177 1.558 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.837 -22.406 3.903 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.884 -23.978 3.130 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.532 -24.181 3.102 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.280 -22.459 3.304 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.715 -24.000 5.466 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.971 -24.118 5.347 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.703 -21.726 5.622 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.425 -21.451 5.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.752 -21.371 7.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.800 -22.683 7.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.132 -22.949 7.675 1.00 0.00 H new ATOM 457 N SER A 34 -3.556 -20.962 1.179 1.00 0.00 N ATOM 458 CA SER A 34 -2.763 -19.739 1.133 1.00 0.00 C ATOM 459 C SER A 34 -2.435 -19.358 -0.308 1.00 0.00 C ATOM 460 O SER A 34 -2.468 -20.199 -1.206 1.00 0.00 O ATOM 461 CB SER A 34 -1.470 -19.914 1.933 1.00 0.00 C ATOM 462 OG SER A 34 -0.626 -18.785 1.791 1.00 0.00 O ATOM 0 H SER A 34 -3.142 -21.752 0.684 1.00 0.00 H new ATOM 0 HA SER A 34 -3.352 -18.937 1.578 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.708 -20.064 2.986 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.947 -20.808 1.594 1.00 0.00 H new ATOM 0 HG SER A 34 -1.022 -18.020 2.257 1.00 0.00 H new ATOM 468 N ILE A 35 -2.118 -18.085 -0.518 1.00 0.00 N ATOM 469 CA ILE A 35 -1.783 -17.592 -1.849 1.00 0.00 C ATOM 470 C ILE A 35 -0.769 -16.456 -1.774 1.00 0.00 C ATOM 471 O ILE A 35 -0.988 -15.459 -1.087 1.00 0.00 O ATOM 472 CB ILE A 35 -3.035 -17.099 -2.598 1.00 0.00 C ATOM 473 CG1 ILE A 35 -3.951 -18.277 -2.934 1.00 0.00 C ATOM 474 CG2 ILE A 35 -2.635 -16.354 -3.864 1.00 0.00 C ATOM 475 CD1 ILE A 35 -5.222 -17.870 -3.647 1.00 0.00 C ATOM 0 H ILE A 35 -2.086 -17.377 0.215 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.349 -18.429 -2.396 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.581 -16.411 -1.952 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.405 -18.985 -3.557 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.212 -18.798 -2.013 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.530 -16.012 -4.383 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.017 -15.495 -3.601 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.071 -17.021 -4.516 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.823 -18.756 -3.854 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.790 -17.186 -3.017 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.970 -17.375 -4.585 1.00 0.00 H new ATOM 487 N MET A 36 0.341 -16.613 -2.488 1.00 0.00 N ATOM 488 CA MET A 36 1.389 -15.598 -2.506 1.00 0.00 C ATOM 489 C MET A 36 1.077 -14.513 -3.531 1.00 0.00 C ATOM 490 O MET A 36 0.682 -14.807 -4.660 1.00 0.00 O ATOM 491 CB MET A 36 2.743 -16.238 -2.818 1.00 0.00 C ATOM 492 CG MET A 36 3.925 -15.324 -2.540 1.00 0.00 C ATOM 493 SD MET A 36 4.552 -15.491 -0.858 1.00 0.00 S ATOM 494 CE MET A 36 3.922 -13.989 -0.112 1.00 0.00 C ATOM 0 H MET A 36 0.538 -17.433 -3.062 1.00 0.00 H new ATOM 0 HA MET A 36 1.432 -15.138 -1.519 1.00 0.00 H new ATOM 0 HB2 MET A 36 2.851 -17.148 -2.227 1.00 0.00 H new ATOM 0 HB3 MET A 36 2.762 -16.535 -3.867 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.725 -15.547 -3.246 1.00 0.00 H new ATOM 0 HG3 MET A 36 3.628 -14.290 -2.712 1.00 0.00 H new ATOM 0 HE1 MET A 36 4.329 -13.884 0.894 1.00 0.00 H new ATOM 0 HE2 MET A 36 4.219 -13.131 -0.715 1.00 0.00 H new ATOM 0 HE3 MET A 36 2.834 -14.037 -0.060 1.00 0.00 H new ATOM 504 N ILE A 37 1.257 -13.258 -3.131 1.00 0.00 N ATOM 505 CA ILE A 37 0.995 -12.130 -4.016 1.00 0.00 C ATOM 506 C ILE A 37 2.289 -11.418 -4.396 1.00 0.00 C ATOM 507 O ILE A 37 3.045 -10.977 -3.529 1.00 0.00 O ATOM 508 CB ILE A 37 0.035 -11.116 -3.367 1.00 0.00 C ATOM 509 CG1 ILE A 37 -1.051 -11.845 -2.574 1.00 0.00 C ATOM 510 CG2 ILE A 37 -0.587 -10.221 -4.429 1.00 0.00 C ATOM 511 CD1 ILE A 37 -2.146 -10.932 -2.068 1.00 0.00 C ATOM 0 H ILE A 37 1.583 -12.997 -2.200 1.00 0.00 H new ATOM 0 HA ILE A 37 0.529 -12.535 -4.914 1.00 0.00 H new ATOM 0 HB ILE A 37 0.602 -10.489 -2.679 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.494 -12.616 -3.205 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.591 -12.352 -1.726 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.263 -9.510 -3.955 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.199 -9.679 -4.954 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.144 -10.832 -5.140 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.881 -11.517 -1.515 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.715 -10.176 -1.411 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.632 -10.444 -2.913 1.00 0.00 H new ATOM 523 N HIS A 38 2.537 -11.306 -5.697 1.00 0.00 N ATOM 524 CA HIS A 38 3.739 -10.644 -6.192 1.00 0.00 C ATOM 525 C HIS A 38 3.379 -9.470 -7.096 1.00 0.00 C ATOM 526 O HIS A 38 2.794 -9.653 -8.164 1.00 0.00 O ATOM 527 CB HIS A 38 4.618 -11.638 -6.952 1.00 0.00 C ATOM 528 CG HIS A 38 5.237 -12.682 -6.076 1.00 0.00 C ATOM 529 ND1 HIS A 38 6.239 -12.407 -5.169 1.00 0.00 N ATOM 530 CD2 HIS A 38 4.990 -14.009 -5.970 1.00 0.00 C ATOM 531 CE1 HIS A 38 6.582 -13.519 -4.544 1.00 0.00 C ATOM 532 NE2 HIS A 38 5.839 -14.506 -5.011 1.00 0.00 N ATOM 0 H HIS A 38 1.922 -11.665 -6.427 1.00 0.00 H new ATOM 0 HA HIS A 38 4.293 -10.263 -5.335 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.018 -12.128 -7.719 1.00 0.00 H new ATOM 0 HB3 HIS A 38 5.409 -11.092 -7.466 1.00 0.00 H new ATOM 0 HD1 HIS A 38 6.651 -11.488 -5.006 1.00 0.00 H new ATOM 0 HD2 HIS A 38 4.261 -14.572 -6.534 1.00 0.00 H new ATOM 0 HE1 HIS A 38 7.341 -13.606 -3.781 1.00 0.00 H new ATOM 541 N TRP A 39 3.731 -8.265 -6.662 1.00 0.00 N ATOM 542 CA TRP A 39 3.444 -7.061 -7.433 1.00 0.00 C ATOM 543 C TRP A 39 4.667 -6.153 -7.501 1.00 0.00 C ATOM 544 O TRP A 39 5.531 -6.195 -6.625 1.00 0.00 O ATOM 545 CB TRP A 39 2.266 -6.304 -6.815 1.00 0.00 C ATOM 546 CG TRP A 39 2.579 -5.711 -5.475 1.00 0.00 C ATOM 547 CD1 TRP A 39 3.025 -4.446 -5.222 1.00 0.00 C ATOM 548 CD2 TRP A 39 2.469 -6.362 -4.204 1.00 0.00 C ATOM 549 NE1 TRP A 39 3.200 -4.270 -3.870 1.00 0.00 N ATOM 550 CE2 TRP A 39 2.865 -5.430 -3.224 1.00 0.00 C ATOM 551 CE3 TRP A 39 2.073 -7.639 -3.798 1.00 0.00 C ATOM 552 CZ2 TRP A 39 2.877 -5.738 -1.866 1.00 0.00 C ATOM 553 CZ3 TRP A 39 2.086 -7.943 -2.450 1.00 0.00 C ATOM 554 CH2 TRP A 39 2.484 -6.996 -1.497 1.00 0.00 C ATOM 0 H TRP A 39 4.215 -8.096 -5.780 1.00 0.00 H new ATOM 0 HA TRP A 39 3.182 -7.363 -8.447 1.00 0.00 H new ATOM 0 HB2 TRP A 39 1.958 -5.508 -7.494 1.00 0.00 H new ATOM 0 HB3 TRP A 39 1.419 -6.983 -6.715 1.00 0.00 H new ATOM 0 HD1 TRP A 39 3.213 -3.694 -5.974 1.00 0.00 H new ATOM 0 HE1 TRP A 39 3.526 -3.414 -3.421 1.00 0.00 H new ATOM 0 HE3 TRP A 39 1.762 -8.375 -4.525 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 3.185 -5.010 -1.130 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 1.784 -8.928 -2.125 1.00 0.00 H new ATOM 0 HH2 TRP A 39 2.481 -7.264 -0.451 1.00 0.00 H new ATOM 565 N GLN A 40 4.734 -5.335 -8.546 1.00 0.00 N ATOM 566 CA GLN A 40 5.853 -4.418 -8.727 1.00 0.00 C ATOM 567 C GLN A 40 5.411 -2.972 -8.529 1.00 0.00 C ATOM 568 O GLN A 40 4.264 -2.607 -8.790 1.00 0.00 O ATOM 569 CB GLN A 40 6.461 -4.591 -10.120 1.00 0.00 C ATOM 570 CG GLN A 40 7.232 -5.890 -10.291 1.00 0.00 C ATOM 571 CD GLN A 40 6.662 -7.021 -9.456 1.00 0.00 C ATOM 572 OE1 GLN A 40 5.675 -7.651 -9.836 1.00 0.00 O ATOM 573 NE2 GLN A 40 7.282 -7.283 -8.312 1.00 0.00 N ATOM 0 H GLN A 40 4.027 -5.288 -9.280 1.00 0.00 H new ATOM 0 HA GLN A 40 6.607 -4.654 -7.976 1.00 0.00 H new ATOM 0 HB2 GLN A 40 5.664 -4.551 -10.863 1.00 0.00 H new ATOM 0 HB3 GLN A 40 7.128 -3.753 -10.323 1.00 0.00 H new ATOM 0 HG2 GLN A 40 7.222 -6.179 -11.342 1.00 0.00 H new ATOM 0 HG3 GLN A 40 8.274 -5.729 -10.015 1.00 0.00 H new ATOM 0 HE21 GLN A 40 8.097 -6.735 -8.036 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.943 -8.032 -7.708 1.00 0.00 H new ATOM 582 N PRO A 41 6.339 -2.128 -8.055 1.00 0.00 N ATOM 583 CA PRO A 41 6.067 -0.708 -7.812 1.00 0.00 C ATOM 584 C PRO A 41 5.873 0.075 -9.105 1.00 0.00 C ATOM 585 O PRO A 41 6.487 -0.214 -10.133 1.00 0.00 O ATOM 586 CB PRO A 41 7.322 -0.228 -7.078 1.00 0.00 C ATOM 587 CG PRO A 41 8.396 -1.165 -7.512 1.00 0.00 C ATOM 588 CD PRO A 41 7.726 -2.494 -7.722 1.00 0.00 C ATOM 0 HA PRO A 41 5.145 -0.560 -7.250 1.00 0.00 H new ATOM 0 HB2 PRO A 41 7.565 0.802 -7.341 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.184 -0.257 -5.997 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.870 -0.817 -8.430 1.00 0.00 H new ATOM 0 HG3 PRO A 41 9.179 -1.238 -6.757 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.197 -3.059 -8.527 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.774 -3.114 -6.827 1.00 0.00 H new ATOM 596 N PRO A 42 5.001 1.093 -9.057 1.00 0.00 N ATOM 597 CA PRO A 42 4.707 1.940 -10.217 1.00 0.00 C ATOM 598 C PRO A 42 5.882 2.837 -10.592 1.00 0.00 C ATOM 599 O PRO A 42 6.846 2.961 -9.837 1.00 0.00 O ATOM 600 CB PRO A 42 3.518 2.783 -9.748 1.00 0.00 C ATOM 601 CG PRO A 42 3.641 2.818 -8.264 1.00 0.00 C ATOM 602 CD PRO A 42 4.234 1.495 -7.866 1.00 0.00 C ATOM 0 HA PRO A 42 4.503 1.351 -11.111 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.552 3.787 -10.172 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.572 2.339 -10.057 1.00 0.00 H new ATOM 0 HG2 PRO A 42 4.278 3.643 -7.945 1.00 0.00 H new ATOM 0 HG3 PRO A 42 2.668 2.966 -7.795 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.874 1.589 -6.989 1.00 0.00 H new ATOM 0 HD3 PRO A 42 3.462 0.766 -7.620 1.00 0.00 H new ATOM 610 N ALA A 43 5.794 3.460 -11.762 1.00 0.00 N ATOM 611 CA ALA A 43 6.848 4.348 -12.236 1.00 0.00 C ATOM 612 C ALA A 43 7.119 5.463 -11.232 1.00 0.00 C ATOM 613 O ALA A 43 6.248 5.860 -10.457 1.00 0.00 O ATOM 614 CB ALA A 43 6.477 4.934 -13.590 1.00 0.00 C ATOM 0 H ALA A 43 5.003 3.366 -12.399 1.00 0.00 H new ATOM 0 HA ALA A 43 7.760 3.762 -12.344 1.00 0.00 H new ATOM 0 HB1 ALA A 43 7.274 5.595 -13.931 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.341 4.128 -14.311 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.550 5.500 -13.500 1.00 0.00 H new ATOM 620 N PRO A 44 8.356 5.982 -11.242 1.00 0.00 N ATOM 621 CA PRO A 44 8.770 7.059 -10.338 1.00 0.00 C ATOM 622 C PRO A 44 8.104 8.388 -10.676 1.00 0.00 C ATOM 623 O PRO A 44 7.646 9.107 -9.788 1.00 0.00 O ATOM 624 CB PRO A 44 10.282 7.147 -10.561 1.00 0.00 C ATOM 625 CG PRO A 44 10.494 6.617 -11.937 1.00 0.00 C ATOM 626 CD PRO A 44 9.445 5.558 -12.138 1.00 0.00 C ATOM 0 HA PRO A 44 8.488 6.855 -9.305 1.00 0.00 H new ATOM 0 HB2 PRO A 44 10.636 8.174 -10.474 1.00 0.00 H new ATOM 0 HB3 PRO A 44 10.826 6.559 -9.822 1.00 0.00 H new ATOM 0 HG2 PRO A 44 10.397 7.409 -12.680 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.495 6.200 -12.045 1.00 0.00 H new ATOM 0 HD2 PRO A 44 9.116 5.510 -13.176 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.818 4.568 -11.876 1.00 0.00 H new ATOM 634 N ALA A 45 8.053 8.709 -11.964 1.00 0.00 N ATOM 635 CA ALA A 45 7.440 9.951 -12.419 1.00 0.00 C ATOM 636 C ALA A 45 6.021 10.093 -11.877 1.00 0.00 C ATOM 637 O ALA A 45 5.621 11.167 -11.427 1.00 0.00 O ATOM 638 CB ALA A 45 7.435 10.011 -13.939 1.00 0.00 C ATOM 0 H ALA A 45 8.429 8.126 -12.712 1.00 0.00 H new ATOM 0 HA ALA A 45 8.032 10.782 -12.036 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.974 10.944 -14.265 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.459 9.964 -14.308 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.868 9.169 -14.335 1.00 0.00 H new ATOM 644 N THR A 46 5.262 9.002 -11.924 1.00 0.00 N ATOM 645 CA THR A 46 3.888 9.006 -11.440 1.00 0.00 C ATOM 646 C THR A 46 3.841 9.094 -9.919 1.00 0.00 C ATOM 647 O THR A 46 3.012 9.808 -9.356 1.00 0.00 O ATOM 648 CB THR A 46 3.129 7.744 -11.894 1.00 0.00 C ATOM 649 OG1 THR A 46 3.838 6.571 -11.480 1.00 0.00 O ATOM 650 CG2 THR A 46 2.956 7.732 -13.405 1.00 0.00 C ATOM 0 H THR A 46 5.577 8.104 -12.293 1.00 0.00 H new ATOM 0 HA THR A 46 3.405 9.885 -11.867 1.00 0.00 H new ATOM 0 HB THR A 46 2.142 7.753 -11.431 1.00 0.00 H new ATOM 0 HG1 THR A 46 4.752 6.815 -11.223 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.418 6.832 -13.702 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.391 8.612 -13.714 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.935 7.744 -13.883 1.00 0.00 H new ATOM 658 N GLN A 47 4.735 8.364 -9.261 1.00 0.00 N ATOM 659 CA GLN A 47 4.795 8.361 -7.804 1.00 0.00 C ATOM 660 C GLN A 47 4.709 9.780 -7.252 1.00 0.00 C ATOM 661 O GLN A 47 5.678 10.536 -7.304 1.00 0.00 O ATOM 662 CB GLN A 47 6.085 7.692 -7.326 1.00 0.00 C ATOM 663 CG GLN A 47 6.000 6.176 -7.269 1.00 0.00 C ATOM 664 CD GLN A 47 7.363 5.517 -7.197 1.00 0.00 C ATOM 665 OE1 GLN A 47 8.372 6.177 -6.949 1.00 0.00 O ATOM 666 NE2 GLN A 47 7.400 4.207 -7.414 1.00 0.00 N ATOM 0 H GLN A 47 5.428 7.767 -9.713 1.00 0.00 H new ATOM 0 HA GLN A 47 3.941 7.794 -7.432 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.900 7.977 -7.991 1.00 0.00 H new ATOM 0 HB3 GLN A 47 6.335 8.071 -6.335 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.412 5.881 -6.400 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.471 5.812 -8.150 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.539 3.699 -7.616 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.289 3.709 -7.378 1.00 0.00 H new ATOM 675 N ASN A 48 3.542 10.135 -6.725 1.00 0.00 N ATOM 676 CA ASN A 48 3.329 11.465 -6.164 1.00 0.00 C ATOM 677 C ASN A 48 3.757 11.513 -4.701 1.00 0.00 C ATOM 678 O ASN A 48 3.123 12.173 -3.879 1.00 0.00 O ATOM 679 CB ASN A 48 1.858 11.865 -6.290 1.00 0.00 C ATOM 680 CG ASN A 48 1.417 12.001 -7.735 1.00 0.00 C ATOM 681 OD1 ASN A 48 2.244 12.031 -8.647 1.00 0.00 O ATOM 682 ND2 ASN A 48 0.110 12.086 -7.949 1.00 0.00 N ATOM 0 H ASN A 48 2.729 9.521 -6.674 1.00 0.00 H new ATOM 0 HA ASN A 48 3.940 12.171 -6.726 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.238 11.119 -5.792 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.696 12.811 -5.773 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.246 12.181 -8.900 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.539 12.057 -7.162 1.00 0.00 H new ATOM 689 N GLY A 49 4.839 10.808 -4.382 1.00 0.00 N ATOM 690 CA GLY A 49 5.334 10.784 -3.018 1.00 0.00 C ATOM 691 C GLY A 49 5.840 9.415 -2.609 1.00 0.00 C ATOM 692 O GLY A 49 5.574 8.421 -3.284 1.00 0.00 O ATOM 0 H GLY A 49 5.381 10.253 -5.044 1.00 0.00 H new ATOM 0 HA2 GLY A 49 6.139 11.511 -2.914 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.537 11.091 -2.340 1.00 0.00 H new ATOM 696 N GLN A 50 6.574 9.363 -1.502 1.00 0.00 N ATOM 697 CA GLN A 50 7.121 8.106 -1.007 1.00 0.00 C ATOM 698 C GLN A 50 6.006 7.167 -0.558 1.00 0.00 C ATOM 699 O GLN A 50 5.037 7.594 0.070 1.00 0.00 O ATOM 700 CB GLN A 50 8.082 8.366 0.154 1.00 0.00 C ATOM 701 CG GLN A 50 7.397 8.891 1.406 1.00 0.00 C ATOM 702 CD GLN A 50 8.375 9.485 2.401 1.00 0.00 C ATOM 703 OE1 GLN A 50 9.555 9.133 2.415 1.00 0.00 O ATOM 704 NE2 GLN A 50 7.888 10.391 3.240 1.00 0.00 N ATOM 0 H GLN A 50 6.803 10.177 -0.931 1.00 0.00 H new ATOM 0 HA GLN A 50 7.667 7.630 -1.822 1.00 0.00 H new ATOM 0 HB2 GLN A 50 8.604 7.440 0.397 1.00 0.00 H new ATOM 0 HB3 GLN A 50 8.838 9.084 -0.165 1.00 0.00 H new ATOM 0 HG2 GLN A 50 6.666 9.649 1.125 1.00 0.00 H new ATOM 0 HG3 GLN A 50 6.848 8.079 1.883 1.00 0.00 H new ATOM 0 HE21 GLN A 50 6.903 10.653 3.193 1.00 0.00 H new ATOM 0 HE22 GLN A 50 8.499 10.826 3.932 1.00 0.00 H new ATOM 713 N ILE A 51 6.150 5.887 -0.885 1.00 0.00 N ATOM 714 CA ILE A 51 5.155 4.888 -0.515 1.00 0.00 C ATOM 715 C ILE A 51 5.340 4.437 0.930 1.00 0.00 C ATOM 716 O ILE A 51 6.463 4.215 1.384 1.00 0.00 O ATOM 717 CB ILE A 51 5.223 3.657 -1.438 1.00 0.00 C ATOM 718 CG1 ILE A 51 4.830 4.041 -2.866 1.00 0.00 C ATOM 719 CG2 ILE A 51 4.319 2.551 -0.914 1.00 0.00 C ATOM 720 CD1 ILE A 51 5.331 3.070 -3.913 1.00 0.00 C ATOM 0 H ILE A 51 6.946 5.518 -1.405 1.00 0.00 H new ATOM 0 HA ILE A 51 4.178 5.360 -0.624 1.00 0.00 H new ATOM 0 HB ILE A 51 6.248 3.287 -1.450 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.744 4.104 -2.931 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.221 5.034 -3.087 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.378 1.688 -1.577 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.640 2.262 0.087 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.290 2.909 -0.876 1.00 0.00 H new ATOM 0 HD11 ILE A 51 5.015 3.405 -4.901 1.00 0.00 H new ATOM 0 HD12 ILE A 51 6.419 3.025 -3.876 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.920 2.080 -3.717 1.00 0.00 H new ATOM 732 N THR A 52 4.230 4.300 1.648 1.00 0.00 N ATOM 733 CA THR A 52 4.269 3.874 3.042 1.00 0.00 C ATOM 734 C THR A 52 3.828 2.423 3.185 1.00 0.00 C ATOM 735 O THR A 52 4.226 1.732 4.122 1.00 0.00 O ATOM 736 CB THR A 52 3.372 4.762 3.926 1.00 0.00 C ATOM 737 OG1 THR A 52 2.051 4.823 3.377 1.00 0.00 O ATOM 738 CG2 THR A 52 3.945 6.167 4.039 1.00 0.00 C ATOM 0 H THR A 52 3.293 4.478 1.287 1.00 0.00 H new ATOM 0 HA THR A 52 5.303 3.971 3.374 1.00 0.00 H new ATOM 0 HB THR A 52 3.331 4.322 4.922 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.486 5.388 3.945 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.295 6.776 4.668 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.939 6.120 4.483 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.012 6.613 3.047 1.00 0.00 H new ATOM 746 N GLY A 53 3.002 1.964 2.250 1.00 0.00 N ATOM 747 CA GLY A 53 2.520 0.596 2.291 1.00 0.00 C ATOM 748 C GLY A 53 1.484 0.313 1.220 1.00 0.00 C ATOM 749 O GLY A 53 1.041 1.224 0.520 1.00 0.00 O ATOM 0 H GLY A 53 2.658 2.516 1.464 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.361 -0.086 2.168 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.088 0.395 3.272 1.00 0.00 H new ATOM 753 N TYR A 54 1.099 -0.951 1.092 1.00 0.00 N ATOM 754 CA TYR A 54 0.112 -1.352 0.097 1.00 0.00 C ATOM 755 C TYR A 54 -1.108 -1.983 0.762 1.00 0.00 C ATOM 756 O TYR A 54 -1.004 -2.591 1.827 1.00 0.00 O ATOM 757 CB TYR A 54 0.730 -2.336 -0.898 1.00 0.00 C ATOM 758 CG TYR A 54 1.870 -1.749 -1.700 1.00 0.00 C ATOM 759 CD1 TYR A 54 3.124 -1.566 -1.129 1.00 0.00 C ATOM 760 CD2 TYR A 54 1.694 -1.378 -3.027 1.00 0.00 C ATOM 761 CE1 TYR A 54 4.169 -1.030 -1.858 1.00 0.00 C ATOM 762 CE2 TYR A 54 2.733 -0.843 -3.763 1.00 0.00 C ATOM 763 CZ TYR A 54 3.968 -0.671 -3.174 1.00 0.00 C ATOM 764 OH TYR A 54 5.006 -0.137 -3.904 1.00 0.00 O ATOM 0 H TYR A 54 1.455 -1.716 1.665 1.00 0.00 H new ATOM 0 HA TYR A 54 -0.210 -0.458 -0.438 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.090 -3.210 -0.356 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.044 -2.682 -1.582 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.285 -1.847 -0.099 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.728 -1.510 -3.491 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.137 -0.893 -1.399 1.00 0.00 H new ATOM 0 HE2 TYR A 54 2.579 -0.561 -4.794 1.00 0.00 H new ATOM 0 HH TYR A 54 4.699 0.061 -4.813 1.00 0.00 H new ATOM 774 N LYS A 55 -2.264 -1.835 0.125 1.00 0.00 N ATOM 775 CA LYS A 55 -3.505 -2.391 0.651 1.00 0.00 C ATOM 776 C LYS A 55 -3.992 -3.549 -0.214 1.00 0.00 C ATOM 777 O LYS A 55 -4.582 -3.339 -1.274 1.00 0.00 O ATOM 778 CB LYS A 55 -4.583 -1.307 0.724 1.00 0.00 C ATOM 779 CG LYS A 55 -5.585 -1.520 1.845 1.00 0.00 C ATOM 780 CD LYS A 55 -6.154 -0.202 2.343 1.00 0.00 C ATOM 781 CE LYS A 55 -6.526 -0.275 3.816 1.00 0.00 C ATOM 782 NZ LYS A 55 -5.351 -0.030 4.697 1.00 0.00 N ATOM 0 H LYS A 55 -2.368 -1.334 -0.757 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.308 -2.768 1.655 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.103 -0.337 0.857 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.116 -1.272 -0.226 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.396 -2.157 1.493 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.103 -2.044 2.670 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.423 0.592 2.191 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.035 0.059 1.757 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.301 0.460 4.032 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.947 -1.256 4.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.658 -0.021 5.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.650 -0.785 4.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.924 0.888 4.458 1.00 0.00 H new ATOM 796 N ILE A 56 -3.742 -4.770 0.246 1.00 0.00 N ATOM 797 CA ILE A 56 -4.157 -5.961 -0.484 1.00 0.00 C ATOM 798 C ILE A 56 -5.543 -6.421 -0.044 1.00 0.00 C ATOM 799 O ILE A 56 -5.723 -6.899 1.076 1.00 0.00 O ATOM 800 CB ILE A 56 -3.159 -7.118 -0.290 1.00 0.00 C ATOM 801 CG1 ILE A 56 -1.872 -6.846 -1.071 1.00 0.00 C ATOM 802 CG2 ILE A 56 -3.783 -8.435 -0.728 1.00 0.00 C ATOM 803 CD1 ILE A 56 -0.709 -7.710 -0.637 1.00 0.00 C ATOM 0 H ILE A 56 -3.254 -4.960 1.121 1.00 0.00 H new ATOM 0 HA ILE A 56 -4.185 -5.690 -1.539 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.911 -7.191 0.769 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.059 -7.009 -2.132 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.599 -5.797 -0.953 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.066 -9.243 -0.585 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.674 -8.631 -0.132 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.057 -8.375 -1.781 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.170 -7.463 -1.233 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.495 -7.530 0.417 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.962 -8.760 -0.781 1.00 0.00 H new ATOM 815 N ARG A 57 -6.520 -6.274 -0.934 1.00 0.00 N ATOM 816 CA ARG A 57 -7.890 -6.675 -0.637 1.00 0.00 C ATOM 817 C ARG A 57 -8.348 -7.783 -1.581 1.00 0.00 C ATOM 818 O ARG A 57 -7.968 -7.812 -2.751 1.00 0.00 O ATOM 819 CB ARG A 57 -8.830 -5.474 -0.748 1.00 0.00 C ATOM 820 CG ARG A 57 -8.868 -4.612 0.503 1.00 0.00 C ATOM 821 CD ARG A 57 -10.180 -3.853 0.618 1.00 0.00 C ATOM 822 NE ARG A 57 -10.437 -3.407 1.985 1.00 0.00 N ATOM 823 CZ ARG A 57 -11.537 -2.759 2.352 1.00 0.00 C ATOM 824 NH1 ARG A 57 -12.478 -2.485 1.459 1.00 0.00 N ATOM 825 NH2 ARG A 57 -11.699 -2.386 3.615 1.00 0.00 N ATOM 0 H ARG A 57 -6.388 -5.880 -1.866 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.918 -7.056 0.384 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.521 -4.859 -1.593 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.837 -5.831 -0.964 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.732 -5.240 1.383 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.038 -3.905 0.484 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.159 -2.990 -0.047 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.998 -4.491 0.285 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.733 -3.604 2.697 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -12.358 -2.772 0.488 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -13.322 -1.987 1.744 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.978 -2.597 4.305 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.544 -1.888 3.895 1.00 0.00 H new ATOM 839 N TYR A 58 -9.167 -8.692 -1.064 1.00 0.00 N ATOM 840 CA TYR A 58 -9.676 -9.803 -1.859 1.00 0.00 C ATOM 841 C TYR A 58 -11.087 -10.184 -1.424 1.00 0.00 C ATOM 842 O TYR A 58 -11.495 -9.914 -0.294 1.00 0.00 O ATOM 843 CB TYR A 58 -8.748 -11.013 -1.734 1.00 0.00 C ATOM 844 CG TYR A 58 -8.434 -11.391 -0.304 1.00 0.00 C ATOM 845 CD1 TYR A 58 -7.710 -10.536 0.518 1.00 0.00 C ATOM 846 CD2 TYR A 58 -8.861 -12.602 0.226 1.00 0.00 C ATOM 847 CE1 TYR A 58 -7.420 -10.876 1.825 1.00 0.00 C ATOM 848 CE2 TYR A 58 -8.577 -12.951 1.532 1.00 0.00 C ATOM 849 CZ TYR A 58 -7.856 -12.085 2.327 1.00 0.00 C ATOM 850 OH TYR A 58 -7.570 -12.428 3.629 1.00 0.00 O ATOM 0 H TYR A 58 -9.493 -8.681 -0.097 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.711 -9.485 -2.901 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -9.208 -11.866 -2.234 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.816 -10.801 -2.258 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -7.368 -9.589 0.128 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.425 -13.283 -0.394 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -6.856 -10.200 2.450 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -8.918 -13.896 1.928 1.00 0.00 H new ATOM 0 HH TYR A 58 -7.949 -13.310 3.826 1.00 0.00 H new ATOM 860 N ARG A 59 -11.829 -10.812 -2.329 1.00 0.00 N ATOM 861 CA ARG A 59 -13.196 -11.230 -2.041 1.00 0.00 C ATOM 862 C ARG A 59 -13.478 -12.611 -2.627 1.00 0.00 C ATOM 863 O ARG A 59 -12.623 -13.204 -3.285 1.00 0.00 O ATOM 864 CB ARG A 59 -14.192 -10.213 -2.602 1.00 0.00 C ATOM 865 CG ARG A 59 -13.928 -9.838 -4.051 1.00 0.00 C ATOM 866 CD ARG A 59 -14.582 -8.514 -4.412 1.00 0.00 C ATOM 867 NE ARG A 59 -14.644 -8.309 -5.856 1.00 0.00 N ATOM 868 CZ ARG A 59 -15.186 -7.237 -6.424 1.00 0.00 C ATOM 869 NH1 ARG A 59 -15.711 -6.279 -5.674 1.00 0.00 N ATOM 870 NH2 ARG A 59 -15.204 -7.123 -7.746 1.00 0.00 N ATOM 0 H ARG A 59 -11.507 -11.043 -3.269 1.00 0.00 H new ATOM 0 HA ARG A 59 -13.312 -11.283 -0.959 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -15.200 -10.620 -2.519 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -14.161 -9.311 -1.991 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -12.853 -9.772 -4.221 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -14.307 -10.623 -4.706 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -15.590 -8.483 -3.998 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -14.024 -7.697 -3.954 1.00 0.00 H new ATOM 0 HE ARG A 59 -14.250 -9.028 -6.462 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -15.700 -6.363 -4.658 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -16.126 -5.457 -6.113 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -14.802 -7.859 -8.327 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -15.620 -6.300 -8.181 1.00 0.00 H new ATOM 884 N LYS A 60 -14.682 -13.116 -2.383 1.00 0.00 N ATOM 885 CA LYS A 60 -15.078 -14.426 -2.886 1.00 0.00 C ATOM 886 C LYS A 60 -15.938 -14.291 -4.139 1.00 0.00 C ATOM 887 O LYS A 60 -16.908 -13.534 -4.159 1.00 0.00 O ATOM 888 CB LYS A 60 -15.846 -15.198 -1.810 1.00 0.00 C ATOM 889 CG LYS A 60 -14.947 -15.954 -0.846 1.00 0.00 C ATOM 890 CD LYS A 60 -15.720 -16.452 0.363 1.00 0.00 C ATOM 891 CE LYS A 60 -14.949 -17.527 1.114 1.00 0.00 C ATOM 892 NZ LYS A 60 -15.795 -18.206 2.134 1.00 0.00 N ATOM 0 H LYS A 60 -15.401 -12.638 -1.840 1.00 0.00 H new ATOM 0 HA LYS A 60 -14.173 -14.976 -3.144 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -16.465 -14.500 -1.246 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -16.522 -15.904 -2.293 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -14.490 -16.799 -1.360 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -14.136 -15.304 -0.518 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.928 -15.617 1.032 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -16.682 -16.850 0.042 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -14.571 -18.265 0.406 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -14.082 -17.079 1.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -15.233 -18.931 2.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -16.135 -17.507 2.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -16.609 -18.655 1.667 1.00 0.00 H new ATOM 906 N ALA A 61 -15.575 -15.030 -5.183 1.00 0.00 N ATOM 907 CA ALA A 61 -16.315 -14.994 -6.438 1.00 0.00 C ATOM 908 C ALA A 61 -17.814 -15.136 -6.196 1.00 0.00 C ATOM 909 O ALA A 61 -18.627 -14.719 -7.020 1.00 0.00 O ATOM 910 CB ALA A 61 -15.823 -16.090 -7.372 1.00 0.00 C ATOM 0 H ALA A 61 -14.773 -15.660 -5.184 1.00 0.00 H new ATOM 0 HA ALA A 61 -16.140 -14.026 -6.907 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -16.384 -16.052 -8.306 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.763 -15.943 -7.580 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -15.969 -17.062 -6.901 1.00 0.00 H new ATOM 916 N SER A 62 -18.172 -15.728 -5.061 1.00 0.00 N ATOM 917 CA SER A 62 -19.573 -15.929 -4.713 1.00 0.00 C ATOM 918 C SER A 62 -20.086 -14.786 -3.842 1.00 0.00 C ATOM 919 O SER A 62 -21.274 -14.463 -3.859 1.00 0.00 O ATOM 920 CB SER A 62 -19.753 -17.262 -3.983 1.00 0.00 C ATOM 921 OG SER A 62 -19.797 -18.342 -4.899 1.00 0.00 O ATOM 0 H SER A 62 -17.511 -16.077 -4.367 1.00 0.00 H new ATOM 0 HA SER A 62 -20.152 -15.947 -5.636 1.00 0.00 H new ATOM 0 HB2 SER A 62 -18.932 -17.410 -3.281 1.00 0.00 H new ATOM 0 HB3 SER A 62 -20.673 -17.239 -3.398 1.00 0.00 H new ATOM 0 HG SER A 62 -19.911 -19.183 -4.408 1.00 0.00 H new ATOM 927 N ARG A 63 -19.181 -14.179 -3.080 1.00 0.00 N ATOM 928 CA ARG A 63 -19.541 -13.073 -2.201 1.00 0.00 C ATOM 929 C ARG A 63 -18.598 -11.891 -2.401 1.00 0.00 C ATOM 930 O ARG A 63 -17.573 -11.779 -1.728 1.00 0.00 O ATOM 931 CB ARG A 63 -19.509 -13.524 -0.740 1.00 0.00 C ATOM 932 CG ARG A 63 -20.279 -12.609 0.197 1.00 0.00 C ATOM 933 CD ARG A 63 -21.768 -12.920 0.181 1.00 0.00 C ATOM 934 NE ARG A 63 -22.460 -12.229 -0.903 1.00 0.00 N ATOM 935 CZ ARG A 63 -23.619 -12.633 -1.411 1.00 0.00 C ATOM 936 NH1 ARG A 63 -24.213 -13.719 -0.934 1.00 0.00 N ATOM 937 NH2 ARG A 63 -24.187 -11.951 -2.397 1.00 0.00 N ATOM 0 H ARG A 63 -18.194 -14.435 -3.054 1.00 0.00 H new ATOM 0 HA ARG A 63 -20.553 -12.755 -2.454 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -19.921 -14.531 -0.670 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -18.472 -13.580 -0.409 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -19.894 -12.718 1.211 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -20.120 -11.571 -0.094 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -21.913 -13.995 0.076 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -22.209 -12.631 1.135 1.00 0.00 H new ATOM 0 HE ARG A 63 -22.030 -11.390 -1.292 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -23.780 -14.246 -0.176 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -25.103 -14.027 -1.326 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -23.734 -11.115 -2.766 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -25.077 -12.263 -2.786 1.00 0.00 H new ATOM 951 N LYS A 64 -18.950 -11.009 -3.331 1.00 0.00 N ATOM 952 CA LYS A 64 -18.137 -9.834 -3.620 1.00 0.00 C ATOM 953 C LYS A 64 -18.217 -8.824 -2.481 1.00 0.00 C ATOM 954 O LYS A 64 -17.236 -8.150 -2.165 1.00 0.00 O ATOM 955 CB LYS A 64 -18.592 -9.182 -4.927 1.00 0.00 C ATOM 956 CG LYS A 64 -17.899 -9.740 -6.159 1.00 0.00 C ATOM 957 CD LYS A 64 -18.618 -10.966 -6.696 1.00 0.00 C ATOM 958 CE LYS A 64 -18.070 -11.384 -8.052 1.00 0.00 C ATOM 959 NZ LYS A 64 -18.707 -10.628 -9.165 1.00 0.00 N ATOM 0 H LYS A 64 -19.794 -11.086 -3.898 1.00 0.00 H new ATOM 0 HA LYS A 64 -17.101 -10.157 -3.724 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -19.668 -9.315 -5.034 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -18.408 -8.109 -4.871 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -17.858 -8.973 -6.933 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -16.870 -10.000 -5.912 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -18.512 -11.790 -5.990 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -19.684 -10.755 -6.782 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -16.992 -11.222 -8.074 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -18.235 -12.452 -8.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -18.306 -10.942 -10.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -19.732 -10.802 -9.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -18.528 -9.611 -9.041 1.00 0.00 H new ATOM 973 N SER A 65 -19.391 -8.723 -1.866 1.00 0.00 N ATOM 974 CA SER A 65 -19.599 -7.793 -0.763 1.00 0.00 C ATOM 975 C SER A 65 -18.604 -8.054 0.364 1.00 0.00 C ATOM 976 O SER A 65 -18.148 -7.126 1.032 1.00 0.00 O ATOM 977 CB SER A 65 -21.030 -7.909 -0.232 1.00 0.00 C ATOM 978 OG SER A 65 -21.394 -6.758 0.509 1.00 0.00 O ATOM 0 H SER A 65 -20.213 -9.274 -2.113 1.00 0.00 H new ATOM 0 HA SER A 65 -19.439 -6.782 -1.139 1.00 0.00 H new ATOM 0 HB2 SER A 65 -21.720 -8.042 -1.065 1.00 0.00 H new ATOM 0 HB3 SER A 65 -21.117 -8.794 0.399 1.00 0.00 H new ATOM 0 HG SER A 65 -22.313 -6.856 0.836 1.00 0.00 H new ATOM 984 N ASP A 66 -18.272 -9.324 0.569 1.00 0.00 N ATOM 985 CA ASP A 66 -17.331 -9.710 1.613 1.00 0.00 C ATOM 986 C ASP A 66 -15.892 -9.511 1.148 1.00 0.00 C ATOM 987 O ASP A 66 -15.396 -10.249 0.297 1.00 0.00 O ATOM 988 CB ASP A 66 -17.552 -11.168 2.017 1.00 0.00 C ATOM 989 CG ASP A 66 -18.536 -11.309 3.161 1.00 0.00 C ATOM 990 OD1 ASP A 66 -19.361 -10.390 3.352 1.00 0.00 O ATOM 991 OD2 ASP A 66 -18.483 -12.339 3.866 1.00 0.00 O ATOM 0 H ASP A 66 -18.641 -10.104 0.025 1.00 0.00 H new ATOM 0 HA ASP A 66 -17.506 -9.071 2.479 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -17.917 -11.729 1.157 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -16.599 -11.611 2.305 1.00 0.00 H new ATOM 996 N VAL A 67 -15.226 -8.507 1.711 1.00 0.00 N ATOM 997 CA VAL A 67 -13.844 -8.211 1.354 1.00 0.00 C ATOM 998 C VAL A 67 -12.949 -8.193 2.589 1.00 0.00 C ATOM 999 O VAL A 67 -13.399 -7.882 3.692 1.00 0.00 O ATOM 1000 CB VAL A 67 -13.729 -6.856 0.631 1.00 0.00 C ATOM 1001 CG1 VAL A 67 -12.482 -6.818 -0.239 1.00 0.00 C ATOM 1002 CG2 VAL A 67 -14.976 -6.587 -0.198 1.00 0.00 C ATOM 0 H VAL A 67 -15.622 -7.885 2.416 1.00 0.00 H new ATOM 0 HA VAL A 67 -13.514 -9.003 0.681 1.00 0.00 H new ATOM 0 HB VAL A 67 -13.643 -6.070 1.381 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.418 -5.853 -0.742 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.599 -6.962 0.384 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.534 -7.612 -0.984 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -14.878 -5.625 -0.702 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -15.096 -7.375 -0.941 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -15.849 -6.567 0.454 1.00 0.00 H new ATOM 1012 N THR A 68 -11.677 -8.529 2.396 1.00 0.00 N ATOM 1013 CA THR A 68 -10.718 -8.552 3.493 1.00 0.00 C ATOM 1014 C THR A 68 -9.652 -7.478 3.315 1.00 0.00 C ATOM 1015 O THR A 68 -9.079 -7.333 2.236 1.00 0.00 O ATOM 1016 CB THR A 68 -10.032 -9.926 3.609 1.00 0.00 C ATOM 1017 OG1 THR A 68 -11.016 -10.954 3.773 1.00 0.00 O ATOM 1018 CG2 THR A 68 -9.065 -9.951 4.784 1.00 0.00 C ATOM 0 H THR A 68 -11.287 -8.789 1.490 1.00 0.00 H new ATOM 0 HA THR A 68 -11.278 -8.355 4.407 1.00 0.00 H new ATOM 0 HB THR A 68 -9.470 -10.105 2.692 1.00 0.00 H new ATOM 0 HG1 THR A 68 -10.571 -11.824 3.844 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.593 -10.931 4.846 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.300 -9.188 4.642 1.00 0.00 H new ATOM 0 HG23 THR A 68 -9.609 -9.752 5.707 1.00 0.00 H new ATOM 1026 N GLU A 69 -9.392 -6.726 4.380 1.00 0.00 N ATOM 1027 CA GLU A 69 -8.393 -5.664 4.339 1.00 0.00 C ATOM 1028 C GLU A 69 -7.032 -6.179 4.799 1.00 0.00 C ATOM 1029 O GLU A 69 -6.931 -6.902 5.790 1.00 0.00 O ATOM 1030 CB GLU A 69 -8.830 -4.490 5.217 1.00 0.00 C ATOM 1031 CG GLU A 69 -7.815 -3.360 5.271 1.00 0.00 C ATOM 1032 CD GLU A 69 -6.637 -3.676 6.171 1.00 0.00 C ATOM 1033 OE1 GLU A 69 -6.829 -4.408 7.164 1.00 0.00 O ATOM 1034 OE2 GLU A 69 -5.522 -3.192 5.882 1.00 0.00 O ATOM 0 H GLU A 69 -9.859 -6.832 5.281 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.303 -5.324 3.307 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.776 -4.100 4.843 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.012 -4.852 6.229 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.453 -3.154 4.264 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.305 -2.453 5.625 1.00 0.00 H new ATOM 1041 N THR A 70 -5.986 -5.802 4.069 1.00 0.00 N ATOM 1042 CA THR A 70 -4.632 -6.225 4.400 1.00 0.00 C ATOM 1043 C THR A 70 -3.620 -5.132 4.076 1.00 0.00 C ATOM 1044 O THR A 70 -3.447 -4.755 2.916 1.00 0.00 O ATOM 1045 CB THR A 70 -4.244 -7.509 3.642 1.00 0.00 C ATOM 1046 OG1 THR A 70 -5.256 -8.507 3.818 1.00 0.00 O ATOM 1047 CG2 THR A 70 -2.907 -8.044 4.132 1.00 0.00 C ATOM 0 H THR A 70 -6.052 -5.205 3.245 1.00 0.00 H new ATOM 0 HA THR A 70 -4.616 -6.425 5.471 1.00 0.00 H new ATOM 0 HB THR A 70 -4.154 -7.266 2.583 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.002 -9.319 3.332 1.00 0.00 H new ATOM 0 HG21 THR A 70 -2.654 -8.951 3.582 1.00 0.00 H new ATOM 0 HG22 THR A 70 -2.133 -7.294 3.970 1.00 0.00 H new ATOM 0 HG23 THR A 70 -2.974 -8.272 5.196 1.00 0.00 H new ATOM 1055 N LEU A 71 -2.952 -4.627 5.107 1.00 0.00 N ATOM 1056 CA LEU A 71 -1.954 -3.577 4.932 1.00 0.00 C ATOM 1057 C LEU A 71 -0.548 -4.115 5.177 1.00 0.00 C ATOM 1058 O LEU A 71 -0.276 -4.723 6.212 1.00 0.00 O ATOM 1059 CB LEU A 71 -2.240 -2.412 5.882 1.00 0.00 C ATOM 1060 CG LEU A 71 -1.350 -1.180 5.719 1.00 0.00 C ATOM 1061 CD1 LEU A 71 -1.532 -0.568 4.339 1.00 0.00 C ATOM 1062 CD2 LEU A 71 -1.654 -0.155 6.803 1.00 0.00 C ATOM 0 H LEU A 71 -3.083 -4.927 6.073 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.012 -3.222 3.903 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.278 -2.106 5.748 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.144 -2.772 6.906 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.310 -1.491 5.822 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.890 0.308 4.242 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.264 -1.301 3.578 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.573 -0.272 4.207 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.011 0.715 6.671 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.698 0.151 6.732 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.471 -0.596 7.783 1.00 0.00 H new ATOM 1074 N VAL A 72 0.343 -3.885 4.217 1.00 0.00 N ATOM 1075 CA VAL A 72 1.722 -4.343 4.330 1.00 0.00 C ATOM 1076 C VAL A 72 2.684 -3.167 4.453 1.00 0.00 C ATOM 1077 O VAL A 72 2.264 -2.011 4.509 1.00 0.00 O ATOM 1078 CB VAL A 72 2.129 -5.200 3.116 1.00 0.00 C ATOM 1079 CG1 VAL A 72 1.205 -6.399 2.975 1.00 0.00 C ATOM 1080 CG2 VAL A 72 2.126 -4.361 1.847 1.00 0.00 C ATOM 0 H VAL A 72 0.134 -3.385 3.353 1.00 0.00 H new ATOM 0 HA VAL A 72 1.781 -4.952 5.232 1.00 0.00 H new ATOM 0 HB VAL A 72 3.142 -5.570 3.277 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.508 -6.992 2.112 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.263 -7.011 3.875 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.180 -6.054 2.836 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.416 -4.982 0.999 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.127 -3.960 1.678 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.834 -3.539 1.953 1.00 0.00 H new ATOM 1090 N SER A 73 3.978 -3.469 4.493 1.00 0.00 N ATOM 1091 CA SER A 73 5.001 -2.436 4.613 1.00 0.00 C ATOM 1092 C SER A 73 5.236 -1.746 3.273 1.00 0.00 C ATOM 1093 O SER A 73 4.846 -2.256 2.223 1.00 0.00 O ATOM 1094 CB SER A 73 6.309 -3.042 5.124 1.00 0.00 C ATOM 1095 OG SER A 73 6.340 -3.067 6.541 1.00 0.00 O ATOM 0 H SER A 73 4.343 -4.420 4.444 1.00 0.00 H new ATOM 0 HA SER A 73 4.650 -1.692 5.328 1.00 0.00 H new ATOM 0 HB2 SER A 73 6.420 -4.055 4.737 1.00 0.00 H new ATOM 0 HB3 SER A 73 7.153 -2.463 4.749 1.00 0.00 H new ATOM 0 HG SER A 73 7.185 -3.460 6.843 1.00 0.00 H new ATOM 1101 N GLY A 74 5.876 -0.582 3.317 1.00 0.00 N ATOM 1102 CA GLY A 74 6.153 0.160 2.101 1.00 0.00 C ATOM 1103 C GLY A 74 7.151 -0.546 1.206 1.00 0.00 C ATOM 1104 O GLY A 74 6.946 -0.653 -0.004 1.00 0.00 O ATOM 0 H GLY A 74 6.208 -0.139 4.174 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.223 0.314 1.553 1.00 0.00 H new ATOM 0 HA3 GLY A 74 6.537 1.147 2.361 1.00 0.00 H new ATOM 1108 N THR A 75 8.238 -1.030 1.800 1.00 0.00 N ATOM 1109 CA THR A 75 9.274 -1.727 1.048 1.00 0.00 C ATOM 1110 C THR A 75 8.909 -3.192 0.837 1.00 0.00 C ATOM 1111 O THR A 75 9.771 -4.018 0.538 1.00 0.00 O ATOM 1112 CB THR A 75 10.637 -1.647 1.761 1.00 0.00 C ATOM 1113 OG1 THR A 75 11.663 -2.182 0.919 1.00 0.00 O ATOM 1114 CG2 THR A 75 10.604 -2.410 3.077 1.00 0.00 C ATOM 0 H THR A 75 8.423 -0.952 2.800 1.00 0.00 H new ATOM 0 HA THR A 75 9.349 -1.231 0.080 1.00 0.00 H new ATOM 0 HB THR A 75 10.851 -0.599 1.972 1.00 0.00 H new ATOM 0 HG1 THR A 75 11.357 -3.026 0.526 1.00 0.00 H new ATOM 0 HG21 THR A 75 11.577 -2.340 3.563 1.00 0.00 H new ATOM 0 HG22 THR A 75 9.842 -1.981 3.727 1.00 0.00 H new ATOM 0 HG23 THR A 75 10.369 -3.457 2.885 1.00 0.00 H new ATOM 1122 N GLN A 76 7.627 -3.506 0.993 1.00 0.00 N ATOM 1123 CA GLN A 76 7.149 -4.872 0.819 1.00 0.00 C ATOM 1124 C GLN A 76 6.465 -5.042 -0.533 1.00 0.00 C ATOM 1125 O GLN A 76 5.437 -4.418 -0.803 1.00 0.00 O ATOM 1126 CB GLN A 76 6.181 -5.243 1.944 1.00 0.00 C ATOM 1127 CG GLN A 76 5.680 -6.677 1.868 1.00 0.00 C ATOM 1128 CD GLN A 76 5.314 -7.240 3.226 1.00 0.00 C ATOM 1129 OE1 GLN A 76 5.969 -6.951 4.228 1.00 0.00 O ATOM 1130 NE2 GLN A 76 4.262 -8.050 3.268 1.00 0.00 N ATOM 0 H GLN A 76 6.901 -2.833 1.239 1.00 0.00 H new ATOM 0 HA GLN A 76 8.011 -5.539 0.856 1.00 0.00 H new ATOM 0 HB2 GLN A 76 6.676 -5.090 2.903 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.327 -4.567 1.915 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.809 -6.719 1.215 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.449 -7.303 1.415 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.748 -8.263 2.413 1.00 0.00 H new ATOM 0 HE22 GLN A 76 3.969 -8.459 4.155 1.00 0.00 H new ATOM 1139 N LEU A 77 7.040 -5.889 -1.379 1.00 0.00 N ATOM 1140 CA LEU A 77 6.485 -6.140 -2.705 1.00 0.00 C ATOM 1141 C LEU A 77 5.923 -7.555 -2.800 1.00 0.00 C ATOM 1142 O LEU A 77 5.751 -8.093 -3.894 1.00 0.00 O ATOM 1143 CB LEU A 77 7.558 -5.932 -3.776 1.00 0.00 C ATOM 1144 CG LEU A 77 8.136 -4.521 -3.882 1.00 0.00 C ATOM 1145 CD1 LEU A 77 9.302 -4.493 -4.858 1.00 0.00 C ATOM 1146 CD2 LEU A 77 7.058 -3.534 -4.307 1.00 0.00 C ATOM 0 H LEU A 77 7.890 -6.414 -1.171 1.00 0.00 H new ATOM 0 HA LEU A 77 5.672 -5.434 -2.872 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.377 -6.625 -3.581 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.135 -6.203 -4.743 1.00 0.00 H new ATOM 0 HG LEU A 77 8.505 -4.225 -2.900 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.700 -3.480 -4.920 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.083 -5.169 -4.511 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.959 -4.809 -5.843 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.487 -2.535 -4.377 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.659 -3.827 -5.278 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.255 -3.533 -3.570 1.00 0.00 H new ATOM 1158 N SER A 78 5.636 -8.151 -1.648 1.00 0.00 N ATOM 1159 CA SER A 78 5.094 -9.504 -1.601 1.00 0.00 C ATOM 1160 C SER A 78 4.338 -9.742 -0.297 1.00 0.00 C ATOM 1161 O SER A 78 4.778 -9.323 0.773 1.00 0.00 O ATOM 1162 CB SER A 78 6.218 -10.532 -1.746 1.00 0.00 C ATOM 1163 OG SER A 78 7.299 -10.231 -0.880 1.00 0.00 O ATOM 0 H SER A 78 5.770 -7.718 -0.734 1.00 0.00 H new ATOM 0 HA SER A 78 4.397 -9.618 -2.431 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.835 -11.528 -1.523 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.568 -10.549 -2.778 1.00 0.00 H new ATOM 0 HG SER A 78 8.003 -10.903 -0.990 1.00 0.00 H new ATOM 1169 N GLN A 79 3.197 -10.416 -0.397 1.00 0.00 N ATOM 1170 CA GLN A 79 2.378 -10.708 0.773 1.00 0.00 C ATOM 1171 C GLN A 79 1.734 -12.086 0.656 1.00 0.00 C ATOM 1172 O GLN A 79 1.272 -12.478 -0.416 1.00 0.00 O ATOM 1173 CB GLN A 79 1.297 -9.640 0.946 1.00 0.00 C ATOM 1174 CG GLN A 79 0.195 -10.039 1.914 1.00 0.00 C ATOM 1175 CD GLN A 79 0.736 -10.510 3.250 1.00 0.00 C ATOM 1176 OE1 GLN A 79 1.929 -10.388 3.528 1.00 0.00 O ATOM 1177 NE2 GLN A 79 -0.142 -11.052 4.086 1.00 0.00 N ATOM 0 H GLN A 79 2.819 -10.770 -1.276 1.00 0.00 H new ATOM 0 HA GLN A 79 3.026 -10.703 1.649 1.00 0.00 H new ATOM 0 HB2 GLN A 79 1.762 -8.719 1.298 1.00 0.00 H new ATOM 0 HB3 GLN A 79 0.854 -9.423 -0.026 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.469 -9.189 2.074 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.405 -10.833 1.469 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -1.122 -11.133 3.814 1.00 0.00 H new ATOM 0 HE22 GLN A 79 0.163 -11.387 5.000 1.00 0.00 H new ATOM 1186 N LEU A 80 1.706 -12.816 1.765 1.00 0.00 N ATOM 1187 CA LEU A 80 1.119 -14.151 1.788 1.00 0.00 C ATOM 1188 C LEU A 80 -0.238 -14.138 2.485 1.00 0.00 C ATOM 1189 O LEU A 80 -0.329 -13.863 3.682 1.00 0.00 O ATOM 1190 CB LEU A 80 2.058 -15.131 2.494 1.00 0.00 C ATOM 1191 CG LEU A 80 1.608 -16.593 2.518 1.00 0.00 C ATOM 1192 CD1 LEU A 80 1.593 -17.169 1.111 1.00 0.00 C ATOM 1193 CD2 LEU A 80 2.514 -17.415 3.423 1.00 0.00 C ATOM 0 H LEU A 80 2.083 -12.506 2.661 1.00 0.00 H new ATOM 0 HA LEU A 80 0.974 -14.474 0.757 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.034 -15.080 2.011 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.193 -14.796 3.523 1.00 0.00 H new ATOM 0 HG LEU A 80 0.595 -16.635 2.917 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.271 -18.210 1.147 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.903 -16.597 0.491 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.595 -17.114 0.685 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.179 -18.452 3.428 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.538 -17.366 3.054 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.474 -17.016 4.437 1.00 0.00 H new ATOM 1205 N ILE A 81 -1.288 -14.437 1.728 1.00 0.00 N ATOM 1206 CA ILE A 81 -2.640 -14.463 2.274 1.00 0.00 C ATOM 1207 C ILE A 81 -3.081 -15.889 2.584 1.00 0.00 C ATOM 1208 O ILE A 81 -3.404 -16.659 1.680 1.00 0.00 O ATOM 1209 CB ILE A 81 -3.651 -13.824 1.304 1.00 0.00 C ATOM 1210 CG1 ILE A 81 -3.282 -12.363 1.038 1.00 0.00 C ATOM 1211 CG2 ILE A 81 -5.061 -13.926 1.866 1.00 0.00 C ATOM 1212 CD1 ILE A 81 -3.444 -11.469 2.247 1.00 0.00 C ATOM 0 H ILE A 81 -1.229 -14.665 0.735 1.00 0.00 H new ATOM 0 HA ILE A 81 -2.618 -13.884 3.197 1.00 0.00 H new ATOM 0 HB ILE A 81 -3.618 -14.365 0.359 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.248 -12.314 0.696 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -3.904 -11.981 0.228 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -5.764 -13.470 1.169 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -5.321 -14.975 2.009 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -5.110 -13.406 2.823 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.165 -10.449 1.985 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -4.483 -11.488 2.577 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -2.801 -11.826 3.052 1.00 0.00 H new ATOM 1224 N GLU A 82 -3.093 -16.234 3.868 1.00 0.00 N ATOM 1225 CA GLU A 82 -3.495 -17.568 4.297 1.00 0.00 C ATOM 1226 C GLU A 82 -4.929 -17.562 4.819 1.00 0.00 C ATOM 1227 O GLU A 82 -5.471 -16.513 5.165 1.00 0.00 O ATOM 1228 CB GLU A 82 -2.548 -18.087 5.381 1.00 0.00 C ATOM 1229 CG GLU A 82 -1.080 -17.858 5.066 1.00 0.00 C ATOM 1230 CD GLU A 82 -0.233 -17.703 6.315 1.00 0.00 C ATOM 1231 OE1 GLU A 82 -0.255 -18.619 7.163 1.00 0.00 O ATOM 1232 OE2 GLU A 82 0.451 -16.667 6.443 1.00 0.00 O ATOM 0 H GLU A 82 -2.829 -15.608 4.629 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.444 -18.230 3.433 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -2.789 -17.600 6.326 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -2.719 -19.154 5.520 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -0.704 -18.695 4.478 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.979 -16.964 4.450 1.00 0.00 H new ATOM 1239 N GLY A 83 -5.538 -18.743 4.873 1.00 0.00 N ATOM 1240 CA GLY A 83 -6.903 -18.852 5.353 1.00 0.00 C ATOM 1241 C GLY A 83 -7.908 -18.969 4.224 1.00 0.00 C ATOM 1242 O GLY A 83 -8.935 -18.290 4.224 1.00 0.00 O ATOM 0 H GLY A 83 -5.110 -19.626 4.593 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.988 -19.723 6.002 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.142 -17.978 5.959 1.00 0.00 H new ATOM 1246 N LEU A 84 -7.611 -19.830 3.257 1.00 0.00 N ATOM 1247 CA LEU A 84 -8.495 -20.033 2.115 1.00 0.00 C ATOM 1248 C LEU A 84 -8.953 -21.485 2.032 1.00 0.00 C ATOM 1249 O LEU A 84 -8.483 -22.339 2.784 1.00 0.00 O ATOM 1250 CB LEU A 84 -7.785 -19.635 0.819 1.00 0.00 C ATOM 1251 CG LEU A 84 -7.086 -18.275 0.827 1.00 0.00 C ATOM 1252 CD1 LEU A 84 -5.944 -18.257 -0.178 1.00 0.00 C ATOM 1253 CD2 LEU A 84 -8.080 -17.163 0.528 1.00 0.00 C ATOM 0 H LEU A 84 -6.765 -20.399 3.241 1.00 0.00 H new ATOM 0 HA LEU A 84 -9.373 -19.402 2.250 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -7.045 -20.400 0.584 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -8.517 -19.640 0.011 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.671 -18.106 1.821 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.458 -17.282 -0.159 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.219 -19.029 0.081 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -6.336 -18.448 -1.177 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.565 -16.202 0.538 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -8.524 -17.327 -0.454 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.864 -17.162 1.285 1.00 0.00 H new ATOM 1265 N ASP A 85 -9.871 -21.759 1.112 1.00 0.00 N ATOM 1266 CA ASP A 85 -10.391 -23.109 0.928 1.00 0.00 C ATOM 1267 C ASP A 85 -9.974 -23.672 -0.428 1.00 0.00 C ATOM 1268 O ASP A 85 -9.737 -22.922 -1.375 1.00 0.00 O ATOM 1269 CB ASP A 85 -11.916 -23.112 1.048 1.00 0.00 C ATOM 1270 CG ASP A 85 -12.391 -22.603 2.395 1.00 0.00 C ATOM 1271 OD1 ASP A 85 -11.844 -21.587 2.871 1.00 0.00 O ATOM 1272 OD2 ASP A 85 -13.309 -23.222 2.973 1.00 0.00 O ATOM 0 H ASP A 85 -10.271 -21.064 0.482 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.972 -23.743 1.709 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -12.341 -22.493 0.258 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -12.288 -24.125 0.894 1.00 0.00 H new ATOM 1277 N ARG A 86 -9.887 -24.995 -0.512 1.00 0.00 N ATOM 1278 CA ARG A 86 -9.496 -25.658 -1.750 1.00 0.00 C ATOM 1279 C ARG A 86 -10.619 -25.588 -2.781 1.00 0.00 C ATOM 1280 O ARG A 86 -11.778 -25.358 -2.438 1.00 0.00 O ATOM 1281 CB ARG A 86 -9.129 -27.118 -1.478 1.00 0.00 C ATOM 1282 CG ARG A 86 -10.206 -27.888 -0.732 1.00 0.00 C ATOM 1283 CD ARG A 86 -10.135 -29.377 -1.033 1.00 0.00 C ATOM 1284 NE ARG A 86 -11.072 -30.145 -0.217 1.00 0.00 N ATOM 1285 CZ ARG A 86 -11.153 -31.471 -0.243 1.00 0.00 C ATOM 1286 NH1 ARG A 86 -10.356 -32.172 -1.038 1.00 0.00 N ATOM 1287 NH2 ARG A 86 -12.032 -32.098 0.529 1.00 0.00 N ATOM 0 H ARG A 86 -10.082 -25.629 0.263 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.624 -25.141 -2.151 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -8.929 -27.616 -2.427 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.205 -27.150 -0.900 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -10.094 -27.727 0.340 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -11.188 -27.506 -1.011 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -10.351 -29.544 -2.088 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -9.121 -29.735 -0.855 1.00 0.00 H new ATOM 0 HE ARG A 86 -11.698 -29.636 0.407 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -9.679 -31.693 -1.632 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -10.420 -33.190 -1.056 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -12.646 -31.562 1.143 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -12.094 -33.116 0.509 1.00 0.00 H new ATOM 1301 N GLY A 87 -10.266 -25.789 -4.047 1.00 0.00 N ATOM 1302 CA GLY A 87 -11.255 -25.744 -5.109 1.00 0.00 C ATOM 1303 C GLY A 87 -12.204 -24.570 -4.969 1.00 0.00 C ATOM 1304 O GLY A 87 -13.421 -24.748 -4.920 1.00 0.00 O ATOM 0 H GLY A 87 -9.313 -25.982 -4.356 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -10.747 -25.684 -6.072 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -11.827 -26.672 -5.108 1.00 0.00 H new ATOM 1308 N THR A 88 -11.646 -23.365 -4.901 1.00 0.00 N ATOM 1309 CA THR A 88 -12.450 -22.158 -4.763 1.00 0.00 C ATOM 1310 C THR A 88 -11.743 -20.953 -5.375 1.00 0.00 C ATOM 1311 O THR A 88 -10.557 -20.731 -5.136 1.00 0.00 O ATOM 1312 CB THR A 88 -12.763 -21.858 -3.285 1.00 0.00 C ATOM 1313 OG1 THR A 88 -13.450 -22.967 -2.695 1.00 0.00 O ATOM 1314 CG2 THR A 88 -13.613 -20.603 -3.155 1.00 0.00 C ATOM 0 H THR A 88 -10.640 -23.200 -4.939 1.00 0.00 H new ATOM 0 HA THR A 88 -13.384 -22.338 -5.296 1.00 0.00 H new ATOM 0 HB THR A 88 -11.820 -21.695 -2.763 1.00 0.00 H new ATOM 0 HG1 THR A 88 -12.813 -23.691 -2.520 1.00 0.00 H new ATOM 0 HG21 THR A 88 -13.821 -20.412 -2.102 1.00 0.00 H new ATOM 0 HG22 THR A 88 -13.076 -19.754 -3.579 1.00 0.00 H new ATOM 0 HG23 THR A 88 -14.552 -20.742 -3.691 1.00 0.00 H new ATOM 1322 N GLU A 89 -12.481 -20.179 -6.165 1.00 0.00 N ATOM 1323 CA GLU A 89 -11.923 -18.997 -6.811 1.00 0.00 C ATOM 1324 C GLU A 89 -11.903 -17.810 -5.851 1.00 0.00 C ATOM 1325 O GLU A 89 -12.813 -17.639 -5.039 1.00 0.00 O ATOM 1326 CB GLU A 89 -12.731 -18.642 -8.061 1.00 0.00 C ATOM 1327 CG GLU A 89 -12.231 -17.398 -8.776 1.00 0.00 C ATOM 1328 CD GLU A 89 -12.969 -17.135 -10.074 1.00 0.00 C ATOM 1329 OE1 GLU A 89 -12.647 -17.797 -11.084 1.00 0.00 O ATOM 1330 OE2 GLU A 89 -13.868 -16.269 -10.081 1.00 0.00 O ATOM 0 H GLU A 89 -13.465 -20.349 -6.373 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.897 -19.224 -7.102 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -12.703 -19.484 -8.753 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -13.774 -18.495 -7.780 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.342 -16.536 -8.118 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.166 -17.506 -8.983 1.00 0.00 H new ATOM 1337 N TYR A 90 -10.859 -16.995 -5.950 1.00 0.00 N ATOM 1338 CA TYR A 90 -10.718 -15.826 -5.089 1.00 0.00 C ATOM 1339 C TYR A 90 -10.109 -14.656 -5.855 1.00 0.00 C ATOM 1340 O TYR A 90 -9.141 -14.821 -6.596 1.00 0.00 O ATOM 1341 CB TYR A 90 -9.850 -16.162 -3.875 1.00 0.00 C ATOM 1342 CG TYR A 90 -10.552 -17.023 -2.849 1.00 0.00 C ATOM 1343 CD1 TYR A 90 -11.440 -16.467 -1.936 1.00 0.00 C ATOM 1344 CD2 TYR A 90 -10.328 -18.393 -2.793 1.00 0.00 C ATOM 1345 CE1 TYR A 90 -12.082 -17.250 -0.997 1.00 0.00 C ATOM 1346 CE2 TYR A 90 -10.967 -19.184 -1.858 1.00 0.00 C ATOM 1347 CZ TYR A 90 -11.843 -18.607 -0.962 1.00 0.00 C ATOM 1348 OH TYR A 90 -12.482 -19.391 -0.028 1.00 0.00 O ATOM 0 H TYR A 90 -10.098 -17.122 -6.617 1.00 0.00 H new ATOM 0 HA TYR A 90 -11.712 -15.536 -4.748 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.950 -16.675 -4.213 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -9.529 -15.235 -3.401 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -11.631 -15.404 -1.961 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -9.642 -18.848 -3.493 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -12.768 -16.801 -0.294 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -10.782 -20.248 -1.829 1.00 0.00 H new ATOM 0 HH TYR A 90 -12.204 -20.324 -0.139 1.00 0.00 H new ATOM 1358 N ASN A 91 -10.685 -13.472 -5.670 1.00 0.00 N ATOM 1359 CA ASN A 91 -10.200 -12.273 -6.343 1.00 0.00 C ATOM 1360 C ASN A 91 -9.282 -11.469 -5.427 1.00 0.00 C ATOM 1361 O ASN A 91 -9.621 -11.195 -4.275 1.00 0.00 O ATOM 1362 CB ASN A 91 -11.376 -11.405 -6.794 1.00 0.00 C ATOM 1363 CG ASN A 91 -11.953 -11.857 -8.121 1.00 0.00 C ATOM 1364 OD1 ASN A 91 -12.201 -11.045 -9.012 1.00 0.00 O ATOM 1365 ND2 ASN A 91 -12.170 -13.160 -8.259 1.00 0.00 N ATOM 0 H ASN A 91 -11.488 -13.318 -5.060 1.00 0.00 H new ATOM 0 HA ASN A 91 -9.630 -12.583 -7.218 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -12.156 -11.432 -6.034 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -11.048 -10.369 -6.878 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -12.557 -13.523 -9.130 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -11.950 -13.798 -7.494 1.00 0.00 H new ATOM 1372 N PHE A 92 -8.119 -11.092 -5.947 1.00 0.00 N ATOM 1373 CA PHE A 92 -7.151 -10.319 -5.176 1.00 0.00 C ATOM 1374 C PHE A 92 -6.806 -9.015 -5.888 1.00 0.00 C ATOM 1375 O PHE A 92 -6.890 -8.923 -7.113 1.00 0.00 O ATOM 1376 CB PHE A 92 -5.880 -11.139 -4.945 1.00 0.00 C ATOM 1377 CG PHE A 92 -6.108 -12.384 -4.136 1.00 0.00 C ATOM 1378 CD1 PHE A 92 -6.633 -13.522 -4.726 1.00 0.00 C ATOM 1379 CD2 PHE A 92 -5.798 -12.416 -2.786 1.00 0.00 C ATOM 1380 CE1 PHE A 92 -6.845 -14.670 -3.985 1.00 0.00 C ATOM 1381 CE2 PHE A 92 -6.007 -13.560 -2.040 1.00 0.00 C ATOM 1382 CZ PHE A 92 -6.531 -14.688 -2.640 1.00 0.00 C ATOM 0 H PHE A 92 -7.823 -11.309 -6.899 1.00 0.00 H new ATOM 0 HA PHE A 92 -7.600 -10.078 -4.212 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.455 -11.415 -5.910 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -5.143 -10.516 -4.439 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -6.880 -13.512 -5.777 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -5.388 -11.537 -2.311 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -7.255 -15.551 -4.457 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -5.761 -13.572 -0.989 1.00 0.00 H new ATOM 0 HZ PHE A 92 -6.695 -15.583 -2.058 1.00 0.00 H new ATOM 1392 N ARG A 93 -6.418 -8.008 -5.112 1.00 0.00 N ATOM 1393 CA ARG A 93 -6.062 -6.708 -5.667 1.00 0.00 C ATOM 1394 C ARG A 93 -5.059 -5.990 -4.769 1.00 0.00 C ATOM 1395 O ARG A 93 -5.147 -6.058 -3.543 1.00 0.00 O ATOM 1396 CB ARG A 93 -7.313 -5.846 -5.844 1.00 0.00 C ATOM 1397 CG ARG A 93 -7.947 -5.415 -4.532 1.00 0.00 C ATOM 1398 CD ARG A 93 -8.777 -4.152 -4.702 1.00 0.00 C ATOM 1399 NE ARG A 93 -8.912 -3.414 -3.449 1.00 0.00 N ATOM 1400 CZ ARG A 93 -7.913 -2.752 -2.875 1.00 0.00 C ATOM 1401 NH1 ARG A 93 -6.713 -2.738 -3.437 1.00 0.00 N ATOM 1402 NH2 ARG A 93 -8.114 -2.104 -1.735 1.00 0.00 N ATOM 0 H ARG A 93 -6.342 -8.068 -4.097 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.600 -6.870 -6.641 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -7.053 -4.958 -6.421 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -8.047 -6.402 -6.427 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -8.578 -6.218 -4.151 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -7.168 -5.242 -3.790 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -8.313 -3.511 -5.452 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -9.766 -4.416 -5.076 1.00 0.00 H new ATOM 0 HE ARG A 93 -9.823 -3.406 -2.990 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -6.554 -3.236 -4.313 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -5.948 -2.229 -2.994 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -9.036 -2.114 -1.299 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -7.347 -1.596 -1.295 1.00 0.00 H new ATOM 1416 N VAL A 94 -4.104 -5.303 -5.388 1.00 0.00 N ATOM 1417 CA VAL A 94 -3.084 -4.571 -4.646 1.00 0.00 C ATOM 1418 C VAL A 94 -3.156 -3.077 -4.940 1.00 0.00 C ATOM 1419 O VAL A 94 -3.365 -2.668 -6.082 1.00 0.00 O ATOM 1420 CB VAL A 94 -1.671 -5.082 -4.982 1.00 0.00 C ATOM 1421 CG1 VAL A 94 -0.624 -4.323 -4.181 1.00 0.00 C ATOM 1422 CG2 VAL A 94 -1.570 -6.578 -4.724 1.00 0.00 C ATOM 0 H VAL A 94 -4.015 -5.238 -6.402 1.00 0.00 H new ATOM 0 HA VAL A 94 -3.281 -4.739 -3.587 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.482 -4.905 -6.041 1.00 0.00 H new ATOM 0 HG11 VAL A 94 0.368 -4.698 -4.432 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -0.682 -3.261 -4.420 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.807 -4.465 -3.116 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -0.565 -6.922 -4.967 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -1.779 -6.781 -3.674 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.294 -7.104 -5.346 1.00 0.00 H new ATOM 1432 N ALA A 95 -2.979 -2.266 -3.903 1.00 0.00 N ATOM 1433 CA ALA A 95 -3.021 -0.817 -4.050 1.00 0.00 C ATOM 1434 C ALA A 95 -1.893 -0.152 -3.268 1.00 0.00 C ATOM 1435 O ALA A 95 -1.490 -0.635 -2.210 1.00 0.00 O ATOM 1436 CB ALA A 95 -4.370 -0.279 -3.594 1.00 0.00 C ATOM 0 H ALA A 95 -2.805 -2.588 -2.951 1.00 0.00 H new ATOM 0 HA ALA A 95 -2.885 -0.580 -5.105 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.387 0.805 -3.709 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -5.161 -0.721 -4.199 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.529 -0.535 -2.546 1.00 0.00 H new ATOM 1442 N ALA A 96 -1.386 0.957 -3.796 1.00 0.00 N ATOM 1443 CA ALA A 96 -0.305 1.688 -3.147 1.00 0.00 C ATOM 1444 C ALA A 96 -0.852 2.776 -2.230 1.00 0.00 C ATOM 1445 O ALA A 96 -1.899 3.365 -2.503 1.00 0.00 O ATOM 1446 CB ALA A 96 0.625 2.291 -4.189 1.00 0.00 C ATOM 0 H ALA A 96 -1.707 1.369 -4.672 1.00 0.00 H new ATOM 0 HA ALA A 96 0.260 0.985 -2.536 1.00 0.00 H new ATOM 0 HB1 ALA A 96 1.427 2.834 -3.690 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.051 1.495 -4.801 1.00 0.00 H new ATOM 0 HB3 ALA A 96 0.064 2.976 -4.824 1.00 0.00 H new ATOM 1452 N LEU A 97 -0.138 3.039 -1.141 1.00 0.00 N ATOM 1453 CA LEU A 97 -0.552 4.058 -0.182 1.00 0.00 C ATOM 1454 C LEU A 97 0.595 5.014 0.127 1.00 0.00 C ATOM 1455 O LEU A 97 1.755 4.607 0.199 1.00 0.00 O ATOM 1456 CB LEU A 97 -1.045 3.401 1.109 1.00 0.00 C ATOM 1457 CG LEU A 97 -2.083 2.290 0.943 1.00 0.00 C ATOM 1458 CD1 LEU A 97 -1.960 1.272 2.066 1.00 0.00 C ATOM 1459 CD2 LEU A 97 -3.487 2.874 0.901 1.00 0.00 C ATOM 0 H LEU A 97 0.730 2.561 -0.900 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.367 4.630 -0.626 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.184 2.990 1.636 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.470 4.175 1.748 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.894 1.781 -0.002 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.707 0.489 1.931 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.964 0.830 2.049 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.121 1.766 3.024 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.212 2.069 0.782 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.687 3.409 1.830 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.569 3.563 0.061 1.00 0.00 H new ATOM 1471 N THR A 98 0.264 6.288 0.311 1.00 0.00 N ATOM 1472 CA THR A 98 1.266 7.302 0.613 1.00 0.00 C ATOM 1473 C THR A 98 0.763 8.272 1.676 1.00 0.00 C ATOM 1474 O THR A 98 -0.368 8.158 2.149 1.00 0.00 O ATOM 1475 CB THR A 98 1.659 8.097 -0.647 1.00 0.00 C ATOM 1476 OG1 THR A 98 0.529 8.829 -1.136 1.00 0.00 O ATOM 1477 CG2 THR A 98 2.177 7.167 -1.733 1.00 0.00 C ATOM 0 H THR A 98 -0.691 6.642 0.256 1.00 0.00 H new ATOM 0 HA THR A 98 2.144 6.777 0.990 1.00 0.00 H new ATOM 0 HB THR A 98 2.453 8.793 -0.378 1.00 0.00 H new ATOM 0 HG1 THR A 98 0.793 9.755 -1.319 1.00 0.00 H new ATOM 0 HG21 THR A 98 2.448 7.751 -2.613 1.00 0.00 H new ATOM 0 HG22 THR A 98 3.054 6.633 -1.367 1.00 0.00 H new ATOM 0 HG23 THR A 98 1.400 6.450 -1.999 1.00 0.00 H new ATOM 1485 N ILE A 99 1.609 9.227 2.047 1.00 0.00 N ATOM 1486 CA ILE A 99 1.249 10.218 3.053 1.00 0.00 C ATOM 1487 C ILE A 99 0.051 11.048 2.603 1.00 0.00 C ATOM 1488 O ILE A 99 -0.683 11.594 3.426 1.00 0.00 O ATOM 1489 CB ILE A 99 2.426 11.162 3.361 1.00 0.00 C ATOM 1490 CG1 ILE A 99 2.055 12.125 4.490 1.00 0.00 C ATOM 1491 CG2 ILE A 99 2.828 11.933 2.111 1.00 0.00 C ATOM 1492 CD1 ILE A 99 3.243 12.849 5.082 1.00 0.00 C ATOM 0 H ILE A 99 2.549 9.335 1.666 1.00 0.00 H new ATOM 0 HA ILE A 99 0.989 9.668 3.958 1.00 0.00 H new ATOM 0 HB ILE A 99 3.277 10.563 3.685 1.00 0.00 H new ATOM 0 HG12 ILE A 99 1.344 12.859 4.111 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.549 11.569 5.279 1.00 0.00 H new ATOM 0 HG21 ILE A 99 3.661 12.596 2.345 1.00 0.00 H new ATOM 0 HG22 ILE A 99 3.129 11.232 1.332 1.00 0.00 H new ATOM 0 HG23 ILE A 99 1.982 12.524 1.760 1.00 0.00 H new ATOM 0 HD11 ILE A 99 2.905 13.514 5.876 1.00 0.00 H new ATOM 0 HD12 ILE A 99 3.945 12.122 5.491 1.00 0.00 H new ATOM 0 HD13 ILE A 99 3.737 13.433 4.305 1.00 0.00 H new ATOM 1504 N ASN A 100 -0.141 11.136 1.291 1.00 0.00 N ATOM 1505 CA ASN A 100 -1.252 11.898 0.731 1.00 0.00 C ATOM 1506 C ASN A 100 -2.577 11.182 0.968 1.00 0.00 C ATOM 1507 O ASN A 100 -3.647 11.775 0.836 1.00 0.00 O ATOM 1508 CB ASN A 100 -1.040 12.120 -0.768 1.00 0.00 C ATOM 1509 CG ASN A 100 0.364 12.594 -1.090 1.00 0.00 C ATOM 1510 OD1 ASN A 100 1.093 11.946 -1.841 1.00 0.00 O ATOM 1511 ND2 ASN A 100 0.749 13.731 -0.522 1.00 0.00 N ATOM 0 H ASN A 100 0.457 10.690 0.596 1.00 0.00 H new ATOM 0 HA ASN A 100 -1.287 12.865 1.234 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -1.238 11.190 -1.302 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -1.760 12.854 -1.129 1.00 0.00 H new ATOM 0 HD21 ASN A 100 1.683 14.100 -0.702 1.00 0.00 H new ATOM 0 HD22 ASN A 100 0.111 14.235 0.094 1.00 0.00 H new ATOM 1518 N GLY A 101 -2.498 9.902 1.320 1.00 0.00 N ATOM 1519 CA GLY A 101 -3.698 9.126 1.570 1.00 0.00 C ATOM 1520 C GLY A 101 -3.613 7.725 0.997 1.00 0.00 C ATOM 1521 O GLY A 101 -2.728 6.950 1.359 1.00 0.00 O ATOM 0 H GLY A 101 -1.624 9.389 1.436 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -3.871 9.066 2.645 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.556 9.640 1.138 1.00 0.00 H new ATOM 1525 N THR A 102 -4.538 7.398 0.100 1.00 0.00 N ATOM 1526 CA THR A 102 -4.566 6.080 -0.523 1.00 0.00 C ATOM 1527 C THR A 102 -4.263 6.170 -2.014 1.00 0.00 C ATOM 1528 O THR A 102 -4.161 7.262 -2.572 1.00 0.00 O ATOM 1529 CB THR A 102 -5.932 5.396 -0.329 1.00 0.00 C ATOM 1530 OG1 THR A 102 -6.988 6.314 -0.633 1.00 0.00 O ATOM 1531 CG2 THR A 102 -6.087 4.892 1.098 1.00 0.00 C ATOM 0 H THR A 102 -5.278 8.028 -0.211 1.00 0.00 H new ATOM 0 HA THR A 102 -3.796 5.483 -0.034 1.00 0.00 H new ATOM 0 HB THR A 102 -5.986 4.544 -1.007 1.00 0.00 H new ATOM 0 HG1 THR A 102 -7.853 5.870 -0.509 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.059 4.413 1.211 1.00 0.00 H new ATOM 0 HG22 THR A 102 -5.299 4.171 1.317 1.00 0.00 H new ATOM 0 HG23 THR A 102 -6.013 5.731 1.790 1.00 0.00 H new ATOM 1539 N GLY A 103 -4.120 5.014 -2.655 1.00 0.00 N ATOM 1540 CA GLY A 103 -3.831 4.985 -4.077 1.00 0.00 C ATOM 1541 C GLY A 103 -4.788 4.097 -4.846 1.00 0.00 C ATOM 1542 O GLY A 103 -5.740 3.548 -4.291 1.00 0.00 O ATOM 0 H GLY A 103 -4.199 4.097 -2.215 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -3.881 5.998 -4.475 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.811 4.633 -4.230 1.00 0.00 H new ATOM 1546 N PRO A 104 -4.540 3.947 -6.156 1.00 0.00 N ATOM 1547 CA PRO A 104 -5.378 3.121 -7.030 1.00 0.00 C ATOM 1548 C PRO A 104 -5.235 1.632 -6.733 1.00 0.00 C ATOM 1549 O PRO A 104 -4.293 1.211 -6.062 1.00 0.00 O ATOM 1550 CB PRO A 104 -4.850 3.439 -8.431 1.00 0.00 C ATOM 1551 CG PRO A 104 -3.442 3.874 -8.215 1.00 0.00 C ATOM 1552 CD PRO A 104 -3.423 4.572 -6.883 1.00 0.00 C ATOM 0 HA PRO A 104 -6.439 3.336 -6.900 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -4.899 2.565 -9.080 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -5.438 4.223 -8.907 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -2.765 3.020 -8.217 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -3.114 4.543 -9.011 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -2.475 4.426 -6.366 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -3.565 5.647 -6.991 1.00 0.00 H new ATOM 1560 N ALA A 105 -6.175 0.839 -7.236 1.00 0.00 N ATOM 1561 CA ALA A 105 -6.152 -0.603 -7.026 1.00 0.00 C ATOM 1562 C ALA A 105 -6.002 -1.348 -8.349 1.00 0.00 C ATOM 1563 O ALA A 105 -6.477 -0.890 -9.389 1.00 0.00 O ATOM 1564 CB ALA A 105 -7.414 -1.052 -6.305 1.00 0.00 C ATOM 0 H ALA A 105 -6.963 1.171 -7.792 1.00 0.00 H new ATOM 0 HA ALA A 105 -5.288 -0.841 -6.405 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -7.383 -2.131 -6.155 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -7.478 -0.553 -5.338 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -8.287 -0.794 -6.905 1.00 0.00 H new ATOM 1570 N THR A 106 -5.339 -2.500 -8.302 1.00 0.00 N ATOM 1571 CA THR A 106 -5.126 -3.307 -9.497 1.00 0.00 C ATOM 1572 C THR A 106 -6.396 -4.054 -9.889 1.00 0.00 C ATOM 1573 O THR A 106 -7.233 -4.363 -9.041 1.00 0.00 O ATOM 1574 CB THR A 106 -3.988 -4.325 -9.290 1.00 0.00 C ATOM 1575 OG1 THR A 106 -4.332 -5.239 -8.243 1.00 0.00 O ATOM 1576 CG2 THR A 106 -2.686 -3.618 -8.947 1.00 0.00 C ATOM 0 H THR A 106 -4.941 -2.894 -7.450 1.00 0.00 H new ATOM 0 HA THR A 106 -4.850 -2.621 -10.298 1.00 0.00 H new ATOM 0 HB THR A 106 -3.849 -4.876 -10.220 1.00 0.00 H new ATOM 0 HG1 THR A 106 -4.937 -5.926 -8.594 1.00 0.00 H new ATOM 0 HG21 THR A 106 -1.897 -4.357 -8.805 1.00 0.00 H new ATOM 0 HG22 THR A 106 -2.412 -2.946 -9.760 1.00 0.00 H new ATOM 0 HG23 THR A 106 -2.814 -3.044 -8.029 1.00 0.00 H new ATOM 1584 N ASP A 107 -6.532 -4.341 -11.179 1.00 0.00 N ATOM 1585 CA ASP A 107 -7.700 -5.054 -11.684 1.00 0.00 C ATOM 1586 C ASP A 107 -8.050 -6.232 -10.781 1.00 0.00 C ATOM 1587 O ASP A 107 -7.273 -6.606 -9.903 1.00 0.00 O ATOM 1588 CB ASP A 107 -7.446 -5.546 -13.110 1.00 0.00 C ATOM 1589 CG ASP A 107 -8.716 -6.007 -13.798 1.00 0.00 C ATOM 1590 OD1 ASP A 107 -9.788 -5.438 -13.506 1.00 0.00 O ATOM 1591 OD2 ASP A 107 -8.637 -6.937 -14.628 1.00 0.00 O ATOM 0 H ASP A 107 -5.849 -4.091 -11.894 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.542 -4.362 -11.691 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -6.991 -4.745 -13.692 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -6.730 -6.368 -13.086 1.00 0.00 H new ATOM 1596 N TRP A 108 -9.225 -6.811 -11.002 1.00 0.00 N ATOM 1597 CA TRP A 108 -9.679 -7.946 -10.206 1.00 0.00 C ATOM 1598 C TRP A 108 -9.153 -9.257 -10.779 1.00 0.00 C ATOM 1599 O TRP A 108 -9.723 -9.807 -11.723 1.00 0.00 O ATOM 1600 CB TRP A 108 -11.207 -7.977 -10.149 1.00 0.00 C ATOM 1601 CG TRP A 108 -11.782 -7.034 -9.136 1.00 0.00 C ATOM 1602 CD1 TRP A 108 -12.669 -6.022 -9.369 1.00 0.00 C ATOM 1603 CD2 TRP A 108 -11.509 -7.015 -7.731 1.00 0.00 C ATOM 1604 NE1 TRP A 108 -12.964 -5.375 -8.193 1.00 0.00 N ATOM 1605 CE2 TRP A 108 -12.266 -5.966 -7.173 1.00 0.00 C ATOM 1606 CE3 TRP A 108 -10.701 -7.784 -6.889 1.00 0.00 C ATOM 1607 CZ2 TRP A 108 -12.235 -5.667 -5.814 1.00 0.00 C ATOM 1608 CZ3 TRP A 108 -10.671 -7.486 -5.540 1.00 0.00 C ATOM 1609 CH2 TRP A 108 -11.435 -6.436 -5.012 1.00 0.00 C ATOM 0 H TRP A 108 -9.880 -6.514 -11.725 1.00 0.00 H new ATOM 0 HA TRP A 108 -9.287 -7.829 -9.196 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -11.605 -7.729 -11.133 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -11.535 -8.991 -9.918 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -13.078 -5.768 -10.335 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -13.600 -4.583 -8.095 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -10.111 -8.597 -7.286 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -12.821 -4.857 -5.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -10.048 -8.072 -4.881 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -11.392 -6.230 -3.953 1.00 0.00 H new ATOM 1620 N LEU A 109 -8.063 -9.754 -10.205 1.00 0.00 N ATOM 1621 CA LEU A 109 -7.460 -11.003 -10.659 1.00 0.00 C ATOM 1622 C LEU A 109 -7.996 -12.188 -9.862 1.00 0.00 C ATOM 1623 O LEU A 109 -7.827 -12.258 -8.645 1.00 0.00 O ATOM 1624 CB LEU A 109 -5.937 -10.933 -10.530 1.00 0.00 C ATOM 1625 CG LEU A 109 -5.140 -11.766 -11.534 1.00 0.00 C ATOM 1626 CD1 LEU A 109 -5.452 -11.330 -12.957 1.00 0.00 C ATOM 1627 CD2 LEU A 109 -3.648 -11.653 -11.255 1.00 0.00 C ATOM 0 H LEU A 109 -7.578 -9.311 -9.424 1.00 0.00 H new ATOM 0 HA LEU A 109 -7.724 -11.145 -11.707 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.631 -9.891 -10.629 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -5.662 -11.252 -9.524 1.00 0.00 H new ATOM 0 HG LEU A 109 -5.432 -12.810 -11.424 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.875 -11.934 -13.657 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -6.516 -11.463 -13.153 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -5.189 -10.280 -13.082 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.096 -12.252 -11.979 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.340 -10.611 -11.337 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.438 -12.015 -10.249 1.00 0.00 H new ATOM 1639 N SER A 110 -8.641 -13.119 -10.558 1.00 0.00 N ATOM 1640 CA SER A 110 -9.203 -14.301 -9.915 1.00 0.00 C ATOM 1641 C SER A 110 -8.203 -15.453 -9.926 1.00 0.00 C ATOM 1642 O SER A 110 -7.564 -15.724 -10.942 1.00 0.00 O ATOM 1643 CB SER A 110 -10.494 -14.724 -10.618 1.00 0.00 C ATOM 1644 OG SER A 110 -10.241 -15.118 -11.956 1.00 0.00 O ATOM 0 H SER A 110 -8.787 -13.078 -11.567 1.00 0.00 H new ATOM 0 HA SER A 110 -9.428 -14.049 -8.879 1.00 0.00 H new ATOM 0 HB2 SER A 110 -10.955 -15.548 -10.074 1.00 0.00 H new ATOM 0 HB3 SER A 110 -11.205 -13.898 -10.607 1.00 0.00 H new ATOM 0 HG SER A 110 -9.283 -15.290 -12.071 1.00 0.00 H new ATOM 1650 N ALA A 111 -8.073 -16.127 -8.788 1.00 0.00 N ATOM 1651 CA ALA A 111 -7.153 -17.250 -8.666 1.00 0.00 C ATOM 1652 C ALA A 111 -7.841 -18.458 -8.039 1.00 0.00 C ATOM 1653 O ALA A 111 -8.475 -18.347 -6.990 1.00 0.00 O ATOM 1654 CB ALA A 111 -5.936 -16.849 -7.846 1.00 0.00 C ATOM 0 H ALA A 111 -8.594 -15.914 -7.937 1.00 0.00 H new ATOM 0 HA ALA A 111 -6.826 -17.530 -9.667 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -5.257 -17.698 -7.763 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -5.424 -16.021 -8.336 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -6.254 -16.540 -6.850 1.00 0.00 H new ATOM 1660 N GLU A 112 -7.713 -19.610 -8.690 1.00 0.00 N ATOM 1661 CA GLU A 112 -8.325 -20.838 -8.195 1.00 0.00 C ATOM 1662 C GLU A 112 -7.303 -21.696 -7.456 1.00 0.00 C ATOM 1663 O GLU A 112 -6.313 -22.142 -8.037 1.00 0.00 O ATOM 1664 CB GLU A 112 -8.933 -21.633 -9.353 1.00 0.00 C ATOM 1665 CG GLU A 112 -10.012 -22.611 -8.919 1.00 0.00 C ATOM 1666 CD GLU A 112 -10.314 -23.654 -9.978 1.00 0.00 C ATOM 1667 OE1 GLU A 112 -9.423 -24.482 -10.266 1.00 0.00 O ATOM 1668 OE2 GLU A 112 -11.439 -23.643 -10.519 1.00 0.00 O ATOM 0 H GLU A 112 -7.192 -19.719 -9.560 1.00 0.00 H new ATOM 0 HA GLU A 112 -9.116 -20.564 -7.497 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -9.355 -20.937 -10.078 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -8.140 -22.182 -9.862 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -9.698 -23.110 -8.002 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -10.924 -22.061 -8.686 1.00 0.00 H new ATOM 1675 N THR A 113 -7.549 -21.923 -6.169 1.00 0.00 N ATOM 1676 CA THR A 113 -6.650 -22.725 -5.349 1.00 0.00 C ATOM 1677 C THR A 113 -6.593 -24.166 -5.844 1.00 0.00 C ATOM 1678 O THR A 113 -7.374 -24.568 -6.707 1.00 0.00 O ATOM 1679 CB THR A 113 -7.084 -22.720 -3.871 1.00 0.00 C ATOM 1680 OG1 THR A 113 -8.512 -22.769 -3.779 1.00 0.00 O ATOM 1681 CG2 THR A 113 -6.567 -21.478 -3.160 1.00 0.00 C ATOM 0 H THR A 113 -8.364 -21.562 -5.672 1.00 0.00 H new ATOM 0 HA THR A 113 -5.661 -22.275 -5.432 1.00 0.00 H new ATOM 0 HB THR A 113 -6.659 -23.600 -3.388 1.00 0.00 H new ATOM 0 HG1 THR A 113 -8.777 -22.824 -2.837 1.00 0.00 H new ATOM 0 HG21 THR A 113 -6.886 -21.496 -2.118 1.00 0.00 H new ATOM 0 HG22 THR A 113 -5.478 -21.459 -3.206 1.00 0.00 H new ATOM 0 HG23 THR A 113 -6.966 -20.588 -3.646 1.00 0.00 H new ATOM 1689 N PHE A 114 -5.664 -24.940 -5.292 1.00 0.00 N ATOM 1690 CA PHE A 114 -5.505 -26.337 -5.679 1.00 0.00 C ATOM 1691 C PHE A 114 -6.452 -27.232 -4.885 1.00 0.00 C ATOM 1692 O PHE A 114 -6.466 -27.202 -3.655 1.00 0.00 O ATOM 1693 CB PHE A 114 -4.058 -26.786 -5.461 1.00 0.00 C ATOM 1694 CG PHE A 114 -3.045 -25.866 -6.079 1.00 0.00 C ATOM 1695 CD1 PHE A 114 -3.044 -25.633 -7.445 1.00 0.00 C ATOM 1696 CD2 PHE A 114 -2.093 -25.235 -5.295 1.00 0.00 C ATOM 1697 CE1 PHE A 114 -2.113 -24.786 -8.018 1.00 0.00 C ATOM 1698 CE2 PHE A 114 -1.160 -24.387 -5.862 1.00 0.00 C ATOM 1699 CZ PHE A 114 -1.170 -24.163 -7.225 1.00 0.00 C ATOM 0 H PHE A 114 -5.010 -24.624 -4.576 1.00 0.00 H new ATOM 0 HA PHE A 114 -5.751 -26.426 -6.737 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -3.866 -26.858 -4.390 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -3.930 -27.786 -5.876 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -3.779 -26.119 -8.070 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -2.080 -25.407 -4.229 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -2.124 -24.612 -9.084 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -0.424 -23.900 -5.240 1.00 0.00 H new ATOM 0 HZ PHE A 114 -0.441 -23.502 -7.670 1.00 0.00 H new ATOM 1709 N GLU A 115 -7.243 -28.027 -5.600 1.00 0.00 N ATOM 1710 CA GLU A 115 -8.194 -28.929 -4.962 1.00 0.00 C ATOM 1711 C GLU A 115 -7.523 -29.731 -3.850 1.00 0.00 C ATOM 1712 O GLU A 115 -8.183 -30.198 -2.922 1.00 0.00 O ATOM 1713 CB GLU A 115 -8.801 -29.880 -5.996 1.00 0.00 C ATOM 1714 CG GLU A 115 -9.994 -29.296 -6.734 1.00 0.00 C ATOM 1715 CD GLU A 115 -10.579 -30.257 -7.750 1.00 0.00 C ATOM 1716 OE1 GLU A 115 -9.913 -30.518 -8.774 1.00 0.00 O ATOM 1717 OE2 GLU A 115 -11.704 -30.749 -7.522 1.00 0.00 O ATOM 0 H GLU A 115 -7.244 -28.064 -6.619 1.00 0.00 H new ATOM 0 HA GLU A 115 -8.988 -28.326 -4.522 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -8.034 -30.152 -6.721 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -9.108 -30.799 -5.496 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -10.764 -29.022 -6.013 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -9.691 -28.379 -7.239 1.00 0.00 H new ATOM 1724 N SER A 116 -6.207 -29.887 -3.953 1.00 0.00 N ATOM 1725 CA SER A 116 -5.446 -30.635 -2.959 1.00 0.00 C ATOM 1726 C SER A 116 -3.988 -30.185 -2.940 1.00 0.00 C ATOM 1727 O SER A 116 -3.575 -29.346 -3.740 1.00 0.00 O ATOM 1728 CB SER A 116 -5.525 -32.135 -3.250 1.00 0.00 C ATOM 1729 OG SER A 116 -5.102 -32.894 -2.130 1.00 0.00 O ATOM 0 H SER A 116 -5.646 -29.506 -4.714 1.00 0.00 H new ATOM 0 HA SER A 116 -5.881 -30.438 -1.979 1.00 0.00 H new ATOM 0 HB2 SER A 116 -6.548 -32.405 -3.511 1.00 0.00 H new ATOM 0 HB3 SER A 116 -4.903 -32.375 -4.112 1.00 0.00 H new ATOM 0 HG SER A 116 -5.163 -33.849 -2.340 1.00 0.00 H new