USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 590 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 62 MET CE :methyl -147:sc= -0.19 (180deg=-1.58) USER MOD Set 1.2: A 105 MET CE :methyl -166:sc= -1.91 (180deg=-2.82) USER MOD Set 2.1: A 55 GLN : amide:sc= 0.0557 X(o=0.1,f=0.56) USER MOD Set 2.2: A 66 THR OG1 : rot 180:sc= 0.0441 USER MOD Single : A 22 GLN : amide:sc= -1.04 K(o=-1,f=-1.9) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -11.8! C(o=-12!,f=-14!) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.299 USER MOD Single : A 39 THR OG1 : rot 180:sc= -2.11 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 175:sc= 0.971 USER MOD Single : A 52 TYR OH : rot 180:sc= -1.14 USER MOD Single : A 53 THR OG1 : rot -131:sc= 0.776 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 34:sc= 0.197 USER MOD Single : A 70 HIS : no HD1:sc= -3.73! K(o=-3.7!,f=-2.5) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HE2:sc= -0.228 X(o=-0.23,f=-0.57) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.00778 USER MOD Single : A 75 SER OG : rot 180:sc= -0.265 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0469! USER MOD Single : A 85 ASN : amide:sc= -3.23! C(o=-3.2!,f=-2.2!) USER MOD Single : A 87 TYR OH : rot 30:sc= -5.42! USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 133:sc= 1.29 USER MOD Single : A 95 ASN : amide:sc= -2.65 K(o=-2.6,f=-6.7!) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 CYS SG : rot 37:sc= 0.0926 USER MOD Single : A 100 SER OG : rot 110:sc= 0.22 USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.2 USER MOD Single : A 106 THR OG1 : rot 117:sc= 1.26 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 223 N GLY A 19 -14.421 -12.413 -3.203 1.00 0.00 N ATOM 224 CA GLY A 19 -14.510 -10.986 -3.463 1.00 0.00 C ATOM 225 C GLY A 19 -13.122 -10.343 -3.474 1.00 0.00 C ATOM 226 O GLY A 19 -12.110 -11.042 -3.445 1.00 0.00 O ATOM 0 HA2 GLY A 19 -15.000 -10.817 -4.422 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -15.128 -10.512 -2.701 1.00 0.00 H new ATOM 230 N PRO A 20 -13.118 -8.984 -3.518 1.00 0.00 N ATOM 231 CA PRO A 20 -11.871 -8.238 -3.533 1.00 0.00 C ATOM 232 C PRO A 20 -11.220 -8.230 -2.149 1.00 0.00 C ATOM 233 O PRO A 20 -11.809 -8.707 -1.180 1.00 0.00 O ATOM 234 CB PRO A 20 -12.250 -6.849 -4.020 1.00 0.00 C ATOM 235 CG PRO A 20 -13.751 -6.730 -3.815 1.00 0.00 C ATOM 236 CD PRO A 20 -14.297 -8.123 -3.554 1.00 0.00 C ATOM 0 HA PRO A 20 -11.122 -8.684 -4.187 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -11.717 -6.080 -3.460 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.988 -6.718 -5.070 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -13.971 -6.070 -2.975 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -14.223 -6.294 -4.695 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.845 -8.163 -2.613 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -14.988 -8.431 -4.339 1.00 0.00 H new ATOM 241 N PRO A 21 -9.982 -7.670 -2.099 1.00 0.00 N ATOM 242 CA PRO A 21 -9.245 -7.593 -0.849 1.00 0.00 C ATOM 243 C PRO A 21 -9.814 -6.500 0.057 1.00 0.00 C ATOM 244 O PRO A 21 -10.168 -5.420 -0.414 1.00 0.00 O ATOM 245 CB PRO A 21 -7.803 -7.334 -1.259 1.00 0.00 C ATOM 246 CG PRO A 21 -7.862 -6.815 -2.686 1.00 0.00 C ATOM 247 CD PRO A 21 -9.254 -7.095 -3.227 1.00 0.00 C ATOM 0 HA PRO A 21 -9.320 -8.506 -0.259 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.334 -6.606 -0.598 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.210 -8.247 -1.200 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.650 -5.746 -2.712 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.108 -7.305 -3.302 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.732 -6.182 -3.582 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.220 -7.786 -4.070 1.00 0.00 H new ATOM 252 N GLN A 22 -9.884 -6.818 1.341 1.00 0.00 N ATOM 253 CA GLN A 22 -10.404 -5.876 2.318 1.00 0.00 C ATOM 254 C GLN A 22 -9.952 -4.455 1.978 1.00 0.00 C ATOM 255 O GLN A 22 -10.770 -3.539 1.909 1.00 0.00 O ATOM 256 CB GLN A 22 -9.978 -6.264 3.735 1.00 0.00 C ATOM 257 CG GLN A 22 -10.991 -7.219 4.370 1.00 0.00 C ATOM 258 CD GLN A 22 -10.658 -7.470 5.843 1.00 0.00 C ATOM 259 OE1 GLN A 22 -10.558 -8.597 6.300 1.00 0.00 O ATOM 260 NE2 GLN A 22 -10.494 -6.360 6.557 1.00 0.00 N ATOM 0 H GLN A 22 -9.589 -7.715 1.728 1.00 0.00 H new ATOM 0 HA GLN A 22 -11.493 -5.908 2.281 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.996 -6.736 3.707 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.884 -5.368 4.348 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -11.994 -6.800 4.286 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -10.994 -8.165 3.828 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -10.592 -5.448 6.111 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -10.270 -6.421 7.550 1.00 0.00 H new ATOM 267 N ILE A 23 -8.650 -4.316 1.776 1.00 0.00 N ATOM 268 CA ILE A 23 -8.078 -3.021 1.445 1.00 0.00 C ATOM 269 C ILE A 23 -6.731 -3.226 0.751 1.00 0.00 C ATOM 270 O ILE A 23 -6.132 -4.296 0.852 1.00 0.00 O ATOM 271 CB ILE A 23 -8.000 -2.136 2.692 1.00 0.00 C ATOM 272 CG1 ILE A 23 -8.131 -0.657 2.323 1.00 0.00 C ATOM 273 CG2 ILE A 23 -6.723 -2.419 3.485 1.00 0.00 C ATOM 274 CD1 ILE A 23 -6.755 -0.014 2.141 1.00 0.00 C ATOM 0 H ILE A 23 -7.975 -5.078 1.835 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.720 -2.488 0.744 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.842 -2.382 3.340 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.707 -0.558 1.403 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.682 -0.131 3.103 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.692 -1.777 4.366 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.712 -3.464 3.796 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.854 -2.218 2.859 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -6.876 1.037 1.879 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.190 -0.094 3.070 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.216 -0.527 1.344 1.00 0.00 H new ATOM 285 N VAL A 24 -6.292 -2.183 0.062 1.00 0.00 N ATOM 286 CA VAL A 24 -5.026 -2.235 -0.649 1.00 0.00 C ATOM 287 C VAL A 24 -4.271 -0.921 -0.436 1.00 0.00 C ATOM 288 O VAL A 24 -4.752 0.144 -0.820 1.00 0.00 O ATOM 289 CB VAL A 24 -5.268 -2.553 -2.126 1.00 0.00 C ATOM 290 CG1 VAL A 24 -3.946 -2.795 -2.858 1.00 0.00 C ATOM 291 CG2 VAL A 24 -6.208 -3.749 -2.283 1.00 0.00 C ATOM 0 H VAL A 24 -6.791 -1.297 -0.019 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.400 -3.036 -0.256 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.750 -1.687 -2.580 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.146 -3.019 -3.906 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.324 -1.903 -2.790 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.425 -3.636 -2.400 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -6.363 -3.953 -3.342 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.767 -4.624 -1.805 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.165 -3.523 -1.813 1.00 0.00 H new ATOM 301 N LYS A 25 -3.102 -1.040 0.176 1.00 0.00 N ATOM 302 CA LYS A 25 -2.276 0.126 0.445 1.00 0.00 C ATOM 303 C LYS A 25 -0.874 -0.106 -0.120 1.00 0.00 C ATOM 304 O LYS A 25 -0.548 -1.214 -0.543 1.00 0.00 O ATOM 305 CB LYS A 25 -2.291 0.460 1.938 1.00 0.00 C ATOM 306 CG LYS A 25 -3.464 1.379 2.283 1.00 0.00 C ATOM 307 CD LYS A 25 -3.062 2.409 3.341 1.00 0.00 C ATOM 308 CE LYS A 25 -3.554 1.990 4.728 1.00 0.00 C ATOM 309 NZ LYS A 25 -2.429 1.952 5.688 1.00 0.00 N ATOM 0 H LYS A 25 -2.707 -1.925 0.493 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.681 1.004 -0.058 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.362 -0.459 2.519 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.353 0.941 2.216 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.806 1.891 1.384 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.301 0.784 2.649 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.978 2.519 3.354 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.478 3.383 3.082 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.314 2.689 5.077 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.025 1.009 4.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.781 1.666 6.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.717 1.268 5.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.997 2.896 5.754 1.00 0.00 H new ATOM 319 N ILE A 26 -0.082 0.956 -0.108 1.00 0.00 N ATOM 320 CA ILE A 26 1.278 0.881 -0.613 1.00 0.00 C ATOM 321 C ILE A 26 2.259 1.107 0.539 1.00 0.00 C ATOM 322 O ILE A 26 2.370 2.218 1.056 1.00 0.00 O ATOM 323 CB ILE A 26 1.469 1.850 -1.782 1.00 0.00 C ATOM 324 CG1 ILE A 26 0.534 1.501 -2.943 1.00 0.00 C ATOM 325 CG2 ILE A 26 2.934 1.899 -2.221 1.00 0.00 C ATOM 326 CD1 ILE A 26 -0.253 2.729 -3.403 1.00 0.00 C ATOM 0 H ILE A 26 -0.356 1.873 0.244 1.00 0.00 H new ATOM 0 HA ILE A 26 1.481 -0.112 -1.015 1.00 0.00 H new ATOM 0 HB ILE A 26 1.201 2.851 -1.442 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.115 1.105 -3.776 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.157 0.717 -2.635 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.041 2.595 -3.053 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.553 2.232 -1.387 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.253 0.905 -2.536 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.909 2.453 -4.228 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.852 3.109 -2.575 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.440 3.502 -3.734 1.00 0.00 H new ATOM 337 N GLU A 27 2.945 0.035 0.908 1.00 0.00 N ATOM 338 CA GLU A 27 3.913 0.102 1.989 1.00 0.00 C ATOM 339 C GLU A 27 4.812 1.329 1.822 1.00 0.00 C ATOM 340 O GLU A 27 5.101 2.028 2.791 1.00 0.00 O ATOM 341 CB GLU A 27 4.744 -1.180 2.062 1.00 0.00 C ATOM 342 CG GLU A 27 4.565 -1.873 3.415 1.00 0.00 C ATOM 343 CD GLU A 27 5.726 -1.545 4.356 1.00 0.00 C ATOM 344 OE1 GLU A 27 6.803 -2.149 4.159 1.00 0.00 O ATOM 345 OE2 GLU A 27 5.510 -0.700 5.251 1.00 0.00 O ATOM 0 H GLU A 27 2.849 -0.885 0.477 1.00 0.00 H new ATOM 0 HA GLU A 27 3.371 0.198 2.930 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.447 -1.856 1.261 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.797 -0.945 1.906 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.625 -1.558 3.868 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.503 -2.952 3.270 1.00 0.00 H new ATOM 350 N ASP A 28 5.229 1.553 0.584 1.00 0.00 N ATOM 351 CA ASP A 28 6.089 2.683 0.277 1.00 0.00 C ATOM 352 C ASP A 28 6.622 2.540 -1.150 1.00 0.00 C ATOM 353 O ASP A 28 6.306 1.573 -1.841 1.00 0.00 O ATOM 354 CB ASP A 28 7.287 2.737 1.227 1.00 0.00 C ATOM 355 CG ASP A 28 7.378 4.003 2.082 1.00 0.00 C ATOM 356 OD1 ASP A 28 6.413 4.795 2.028 1.00 0.00 O ATOM 357 OD2 ASP A 28 8.412 4.150 2.771 1.00 0.00 O ATOM 0 H ASP A 28 4.987 0.971 -0.218 1.00 0.00 H new ATOM 0 HA ASP A 28 5.501 3.594 0.386 1.00 0.00 H new ATOM 0 HB2 ASP A 28 7.246 1.872 1.889 1.00 0.00 H new ATOM 0 HB3 ASP A 28 8.201 2.646 0.640 1.00 0.00 H new ATOM 361 N VAL A 29 7.423 3.518 -1.549 1.00 0.00 N ATOM 362 CA VAL A 29 8.003 3.513 -2.881 1.00 0.00 C ATOM 363 C VAL A 29 9.385 4.167 -2.833 1.00 0.00 C ATOM 364 O VAL A 29 9.517 5.317 -2.416 1.00 0.00 O ATOM 365 CB VAL A 29 7.053 4.194 -3.868 1.00 0.00 C ATOM 366 CG1 VAL A 29 6.531 5.516 -3.302 1.00 0.00 C ATOM 367 CG2 VAL A 29 7.730 4.407 -5.223 1.00 0.00 C ATOM 0 H VAL A 29 7.684 4.319 -0.973 1.00 0.00 H new ATOM 0 HA VAL A 29 8.139 2.491 -3.235 1.00 0.00 H new ATOM 0 HB VAL A 29 6.199 3.534 -4.021 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.858 5.980 -4.023 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.993 5.327 -2.373 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.370 6.184 -3.106 1.00 0.00 H new ATOM 0 HG21 VAL A 29 7.033 4.893 -5.906 1.00 0.00 H new ATOM 0 HG22 VAL A 29 8.610 5.037 -5.095 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.030 3.444 -5.635 1.00 0.00 H new ATOM 377 N TRP A 30 10.380 3.406 -3.266 1.00 0.00 N ATOM 378 CA TRP A 30 11.748 3.898 -3.276 1.00 0.00 C ATOM 379 C TRP A 30 12.365 3.546 -4.631 1.00 0.00 C ATOM 380 O TRP A 30 11.900 2.632 -5.311 1.00 0.00 O ATOM 381 CB TRP A 30 12.541 3.338 -2.094 1.00 0.00 C ATOM 382 CG TRP A 30 12.620 1.811 -2.065 1.00 0.00 C ATOM 383 CD1 TRP A 30 13.619 1.027 -2.494 1.00 0.00 C ATOM 384 CD2 TRP A 30 11.614 0.908 -1.559 1.00 0.00 C ATOM 385 NE1 TRP A 30 13.332 -0.309 -2.303 1.00 0.00 N ATOM 386 CE2 TRP A 30 12.074 -0.384 -1.717 1.00 0.00 C ATOM 387 CE3 TRP A 30 10.357 1.173 -0.989 1.00 0.00 C ATOM 388 CZ2 TRP A 30 11.341 -1.511 -1.328 1.00 0.00 C ATOM 389 CZ3 TRP A 30 9.636 0.036 -0.606 1.00 0.00 C ATOM 390 CH2 TRP A 30 10.086 -1.271 -0.757 1.00 0.00 C ATOM 0 H TRP A 30 10.266 2.453 -3.612 1.00 0.00 H new ATOM 0 HA TRP A 30 11.770 4.981 -3.153 1.00 0.00 H new ATOM 0 HB2 TRP A 30 13.552 3.743 -2.124 1.00 0.00 H new ATOM 0 HB3 TRP A 30 12.085 3.686 -1.167 1.00 0.00 H new ATOM 0 HD1 TRP A 30 14.534 1.395 -2.934 1.00 0.00 H new ATOM 0 HE1 TRP A 30 13.933 -1.097 -2.547 1.00 0.00 H new ATOM 0 HE3 TRP A 30 9.977 2.175 -0.857 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 11.723 -2.512 -1.461 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 8.663 0.184 -0.162 1.00 0.00 H new ATOM 0 HH2 TRP A 30 9.470 -2.097 -0.435 1.00 0.00 H new ATOM 400 N GLY A 31 13.403 4.289 -4.984 1.00 0.00 N ATOM 401 CA GLY A 31 14.089 4.067 -6.246 1.00 0.00 C ATOM 402 C GLY A 31 13.095 3.727 -7.357 1.00 0.00 C ATOM 403 O GLY A 31 12.186 4.506 -7.642 1.00 0.00 O ATOM 0 H GLY A 31 13.786 5.046 -4.418 1.00 0.00 H new ATOM 0 HA2 GLY A 31 14.654 4.958 -6.519 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.808 3.255 -6.135 1.00 0.00 H new ATOM 407 N GLU A 32 13.302 2.564 -7.957 1.00 0.00 N ATOM 408 CA GLU A 32 12.435 2.111 -9.032 1.00 0.00 C ATOM 409 C GLU A 32 11.651 0.872 -8.596 1.00 0.00 C ATOM 410 O GLU A 32 11.519 -0.083 -9.359 1.00 0.00 O ATOM 411 CB GLU A 32 13.238 1.833 -10.304 1.00 0.00 C ATOM 412 CG GLU A 32 13.921 3.105 -10.811 1.00 0.00 C ATOM 413 CD GLU A 32 14.432 2.920 -12.241 1.00 0.00 C ATOM 414 OE1 GLU A 32 15.224 1.973 -12.442 1.00 0.00 O ATOM 415 OE2 GLU A 32 14.021 3.729 -13.101 1.00 0.00 O ATOM 0 H GLU A 32 14.058 1.921 -7.719 1.00 0.00 H new ATOM 0 HA GLU A 32 11.724 2.905 -9.258 1.00 0.00 H new ATOM 0 HB2 GLU A 32 13.988 1.068 -10.105 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.578 1.438 -11.076 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.218 3.938 -10.777 1.00 0.00 H new ATOM 0 HG3 GLU A 32 14.752 3.362 -10.154 1.00 0.00 H new ATOM 420 N ASN A 33 11.152 0.928 -7.370 1.00 0.00 N ATOM 421 CA ASN A 33 10.385 -0.178 -6.823 1.00 0.00 C ATOM 422 C ASN A 33 9.232 0.372 -5.982 1.00 0.00 C ATOM 423 O ASN A 33 9.364 1.421 -5.352 1.00 0.00 O ATOM 424 CB ASN A 33 11.252 -1.057 -5.919 1.00 0.00 C ATOM 425 CG ASN A 33 12.186 -0.203 -5.059 1.00 0.00 C ATOM 426 OD1 ASN A 33 11.767 0.518 -4.169 1.00 0.00 O ATOM 427 ND2 ASN A 33 13.473 -0.325 -5.373 1.00 0.00 N ATOM 0 H ASN A 33 11.264 1.722 -6.740 1.00 0.00 H new ATOM 0 HA ASN A 33 10.013 -0.774 -7.657 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.615 -1.665 -5.277 1.00 0.00 H new ATOM 0 HB3 ASN A 33 11.839 -1.744 -6.528 1.00 0.00 H new ATOM 0 HD21 ASN A 33 14.176 0.203 -4.857 1.00 0.00 H new ATOM 0 HD22 ASN A 33 13.756 -0.947 -6.130 1.00 0.00 H new ATOM 433 N VAL A 34 8.128 -0.359 -5.997 1.00 0.00 N ATOM 434 CA VAL A 34 6.952 0.043 -5.244 1.00 0.00 C ATOM 435 C VAL A 34 6.563 -1.077 -4.277 1.00 0.00 C ATOM 436 O VAL A 34 6.609 -2.253 -4.634 1.00 0.00 O ATOM 437 CB VAL A 34 5.822 0.425 -6.202 1.00 0.00 C ATOM 438 CG1 VAL A 34 4.463 -0.007 -5.646 1.00 0.00 C ATOM 439 CG2 VAL A 34 5.841 1.925 -6.503 1.00 0.00 C ATOM 0 H VAL A 34 8.023 -1.229 -6.519 1.00 0.00 H new ATOM 0 HA VAL A 34 7.166 0.929 -4.646 1.00 0.00 H new ATOM 0 HB VAL A 34 5.984 -0.106 -7.140 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.677 0.276 -6.346 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.453 -1.088 -5.508 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.289 0.483 -4.688 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.028 2.169 -7.186 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.716 2.484 -5.576 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.793 2.192 -6.962 1.00 0.00 H new ATOM 449 N ALA A 35 6.191 -0.672 -3.071 1.00 0.00 N ATOM 450 CA ALA A 35 5.795 -1.626 -2.050 1.00 0.00 C ATOM 451 C ALA A 35 4.273 -1.600 -1.897 1.00 0.00 C ATOM 452 O ALA A 35 3.701 -0.577 -1.524 1.00 0.00 O ATOM 453 CB ALA A 35 6.518 -1.304 -0.742 1.00 0.00 C ATOM 0 H ALA A 35 6.156 0.305 -2.779 1.00 0.00 H new ATOM 0 HA ALA A 35 6.080 -2.638 -2.339 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.221 -2.020 0.024 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.595 -1.365 -0.897 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.254 -0.297 -0.419 1.00 0.00 H new ATOM 459 N LEU A 36 3.662 -2.738 -2.193 1.00 0.00 N ATOM 460 CA LEU A 36 2.217 -2.859 -2.092 1.00 0.00 C ATOM 461 C LEU A 36 1.861 -3.636 -0.823 1.00 0.00 C ATOM 462 O LEU A 36 2.647 -4.457 -0.353 1.00 0.00 O ATOM 463 CB LEU A 36 1.640 -3.471 -3.371 1.00 0.00 C ATOM 464 CG LEU A 36 1.452 -2.512 -4.547 1.00 0.00 C ATOM 465 CD1 LEU A 36 1.552 -3.254 -5.881 1.00 0.00 C ATOM 466 CD2 LEU A 36 0.139 -1.737 -4.420 1.00 0.00 C ATOM 0 H LEU A 36 4.141 -3.584 -2.503 1.00 0.00 H new ATOM 0 HA LEU A 36 1.758 -1.875 -2.002 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.295 -4.282 -3.690 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.674 -3.917 -3.133 1.00 0.00 H new ATOM 0 HG LEU A 36 2.260 -1.781 -4.523 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.415 -2.549 -6.701 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.533 -3.721 -5.965 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.779 -4.021 -5.929 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.031 -1.063 -5.269 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.696 -2.437 -4.404 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.146 -1.159 -3.496 1.00 0.00 H new ATOM 477 N THR A 37 0.675 -3.351 -0.305 1.00 0.00 N ATOM 478 CA THR A 37 0.207 -4.013 0.900 1.00 0.00 C ATOM 479 C THR A 37 -1.320 -4.124 0.887 1.00 0.00 C ATOM 480 O THR A 37 -2.020 -3.123 1.025 1.00 0.00 O ATOM 481 CB THR A 37 0.750 -3.243 2.105 1.00 0.00 C ATOM 482 OG1 THR A 37 0.755 -1.884 1.675 1.00 0.00 O ATOM 483 CG2 THR A 37 2.222 -3.551 2.382 1.00 0.00 C ATOM 0 H THR A 37 0.025 -2.671 -0.698 1.00 0.00 H new ATOM 0 HA THR A 37 0.577 -5.037 0.958 1.00 0.00 H new ATOM 0 HB THR A 37 0.157 -3.484 2.987 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.092 -1.314 2.397 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.557 -2.979 3.247 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.339 -4.616 2.584 1.00 0.00 H new ATOM 0 HG23 THR A 37 2.821 -3.279 1.513 1.00 0.00 H new ATOM 491 N TRP A 38 -1.790 -5.352 0.722 1.00 0.00 N ATOM 492 CA TRP A 38 -3.219 -5.607 0.690 1.00 0.00 C ATOM 493 C TRP A 38 -3.561 -6.530 1.862 1.00 0.00 C ATOM 494 O TRP A 38 -2.749 -7.364 2.257 1.00 0.00 O ATOM 495 CB TRP A 38 -3.644 -6.179 -0.664 1.00 0.00 C ATOM 496 CG TRP A 38 -2.985 -7.516 -1.010 1.00 0.00 C ATOM 497 CD1 TRP A 38 -3.471 -8.749 -0.817 1.00 0.00 C ATOM 498 CD2 TRP A 38 -1.691 -7.704 -1.620 1.00 0.00 C ATOM 499 NE1 TRP A 38 -2.589 -9.715 -1.257 1.00 0.00 N ATOM 500 CE2 TRP A 38 -1.472 -9.059 -1.761 1.00 0.00 C ATOM 501 CE3 TRP A 38 -0.738 -6.760 -2.041 1.00 0.00 C ATOM 502 CZ2 TRP A 38 -0.306 -9.593 -2.322 1.00 0.00 C ATOM 503 CZ3 TRP A 38 0.423 -7.310 -2.598 1.00 0.00 C ATOM 504 CH2 TRP A 38 0.658 -8.672 -2.747 1.00 0.00 C ATOM 0 H TRP A 38 -1.206 -6.181 0.609 1.00 0.00 H new ATOM 0 HA TRP A 38 -3.779 -4.678 0.803 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -4.726 -6.307 -0.669 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -3.405 -5.456 -1.444 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -4.432 -8.961 -0.373 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -2.731 -10.724 -1.219 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.889 -5.695 -1.943 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -0.158 -10.658 -2.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 1.190 -6.628 -2.936 1.00 0.00 H new ATOM 0 HH2 TRP A 38 1.581 -9.018 -3.189 1.00 0.00 H new ATOM 514 N THR A 39 -4.766 -6.349 2.383 1.00 0.00 N ATOM 515 CA THR A 39 -5.225 -7.155 3.502 1.00 0.00 C ATOM 516 C THR A 39 -5.963 -8.396 2.998 1.00 0.00 C ATOM 517 O THR A 39 -6.406 -8.437 1.851 1.00 0.00 O ATOM 518 CB THR A 39 -6.081 -6.264 4.406 1.00 0.00 C ATOM 519 OG1 THR A 39 -7.086 -5.751 3.536 1.00 0.00 O ATOM 520 CG2 THR A 39 -5.330 -5.020 4.883 1.00 0.00 C ATOM 0 H THR A 39 -5.438 -5.657 2.051 1.00 0.00 H new ATOM 0 HA THR A 39 -4.387 -7.530 4.090 1.00 0.00 H new ATOM 0 HB THR A 39 -6.416 -6.838 5.270 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.687 -5.164 4.041 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.982 -4.423 5.520 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.448 -5.322 5.448 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.024 -4.427 4.021 1.00 0.00 H new ATOM 528 N PRO A 40 -6.075 -9.405 3.903 1.00 0.00 N ATOM 529 CA PRO A 40 -6.752 -10.645 3.561 1.00 0.00 C ATOM 530 C PRO A 40 -8.270 -10.452 3.536 1.00 0.00 C ATOM 531 O PRO A 40 -8.793 -9.537 4.169 1.00 0.00 O ATOM 532 CB PRO A 40 -6.298 -11.644 4.613 1.00 0.00 C ATOM 533 CG PRO A 40 -5.755 -10.816 5.766 1.00 0.00 C ATOM 534 CD PRO A 40 -5.563 -9.392 5.270 1.00 0.00 C ATOM 0 HA PRO A 40 -6.502 -10.999 2.561 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -7.127 -12.272 4.939 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.532 -12.309 4.215 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.446 -10.836 6.609 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.809 -11.228 6.119 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.107 -8.680 5.890 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.513 -9.101 5.297 1.00 0.00 H new ATOM 539 N PRO A 41 -8.951 -11.353 2.779 1.00 0.00 N ATOM 540 CA PRO A 41 -10.398 -11.290 2.662 1.00 0.00 C ATOM 541 C PRO A 41 -11.072 -11.802 3.937 1.00 0.00 C ATOM 542 O PRO A 41 -10.496 -12.604 4.670 1.00 0.00 O ATOM 543 CB PRO A 41 -10.731 -12.128 1.438 1.00 0.00 C ATOM 544 CG PRO A 41 -9.513 -13.004 1.189 1.00 0.00 C ATOM 545 CD PRO A 41 -8.364 -12.450 2.015 1.00 0.00 C ATOM 0 HA PRO A 41 -10.767 -10.271 2.543 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -11.620 -12.735 1.610 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -10.939 -11.495 0.576 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -9.722 -14.036 1.469 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -9.255 -13.007 0.130 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -7.946 -13.212 2.673 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.552 -12.099 1.378 1.00 0.00 H new ATOM 550 N LYS A 42 -12.284 -11.315 4.162 1.00 0.00 N ATOM 551 CA LYS A 42 -13.044 -11.712 5.336 1.00 0.00 C ATOM 552 C LYS A 42 -13.952 -12.888 4.976 1.00 0.00 C ATOM 553 O LYS A 42 -14.270 -13.716 5.828 1.00 0.00 O ATOM 554 CB LYS A 42 -13.791 -10.513 5.921 1.00 0.00 C ATOM 555 CG LYS A 42 -13.047 -9.937 7.127 1.00 0.00 C ATOM 556 CD LYS A 42 -13.720 -10.353 8.437 1.00 0.00 C ATOM 557 CE LYS A 42 -15.037 -9.602 8.639 1.00 0.00 C ATOM 558 NZ LYS A 42 -15.591 -9.880 9.983 1.00 0.00 N ATOM 0 H LYS A 42 -12.758 -10.649 3.552 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.375 -12.056 6.125 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.904 -9.743 5.158 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.795 -10.816 6.219 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.013 -10.282 7.120 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.021 -8.850 7.057 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.907 -11.427 8.429 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.051 -10.152 9.274 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -14.873 -8.531 8.521 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -15.754 -9.901 7.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -16.485 -9.363 10.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.765 -10.900 10.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -14.912 -9.573 10.709 1.00 0.00 H new ATOM 630 N ILE A 49 -9.261 -19.718 -0.147 1.00 0.00 N ATOM 631 CA ILE A 49 -8.468 -18.631 -0.695 1.00 0.00 C ATOM 632 C ILE A 49 -7.146 -19.187 -1.228 1.00 0.00 C ATOM 633 O ILE A 49 -6.131 -19.157 -0.534 1.00 0.00 O ATOM 634 CB ILE A 49 -8.294 -17.519 0.342 1.00 0.00 C ATOM 635 CG1 ILE A 49 -9.648 -16.951 0.768 1.00 0.00 C ATOM 636 CG2 ILE A 49 -7.351 -16.430 -0.175 1.00 0.00 C ATOM 637 CD1 ILE A 49 -10.244 -16.071 -0.331 1.00 0.00 C ATOM 0 HA ILE A 49 -8.984 -18.171 -1.538 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.832 -17.949 1.231 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -10.333 -17.767 0.996 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -9.531 -16.368 1.682 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -7.245 -15.652 0.581 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.375 -16.865 -0.388 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -7.761 -15.996 -1.087 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -11.207 -15.680 -0.002 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -9.568 -15.242 -0.540 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -10.383 -16.663 -1.236 1.00 0.00 H new ATOM 648 N THR A 50 -7.202 -19.683 -2.456 1.00 0.00 N ATOM 649 CA THR A 50 -6.021 -20.247 -3.090 1.00 0.00 C ATOM 650 C THR A 50 -4.839 -19.284 -2.964 1.00 0.00 C ATOM 651 O THR A 50 -3.823 -19.620 -2.356 1.00 0.00 O ATOM 652 CB THR A 50 -6.379 -20.584 -4.538 1.00 0.00 C ATOM 653 OG1 THR A 50 -7.207 -21.738 -4.432 1.00 0.00 O ATOM 654 CG2 THR A 50 -5.169 -21.065 -5.343 1.00 0.00 C ATOM 0 H THR A 50 -8.046 -19.706 -3.029 1.00 0.00 H new ATOM 0 HA THR A 50 -5.706 -21.166 -2.596 1.00 0.00 H new ATOM 0 HB THR A 50 -6.809 -19.706 -5.019 1.00 0.00 H new ATOM 0 HG1 THR A 50 -7.546 -21.980 -5.319 1.00 0.00 H new ATOM 0 HG21 THR A 50 -5.478 -21.291 -6.364 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.408 -20.284 -5.358 1.00 0.00 H new ATOM 0 HG23 THR A 50 -4.758 -21.963 -4.881 1.00 0.00 H new ATOM 662 N GLY A 51 -5.010 -18.107 -3.547 1.00 0.00 N ATOM 663 CA GLY A 51 -3.969 -17.094 -3.507 1.00 0.00 C ATOM 664 C GLY A 51 -4.513 -15.732 -3.945 1.00 0.00 C ATOM 665 O GLY A 51 -5.714 -15.485 -3.865 1.00 0.00 O ATOM 0 H GLY A 51 -5.854 -17.832 -4.050 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.566 -17.021 -2.497 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.146 -17.387 -4.158 1.00 0.00 H new ATOM 669 N TYR A 52 -3.601 -14.885 -4.398 1.00 0.00 N ATOM 670 CA TYR A 52 -3.974 -13.554 -4.848 1.00 0.00 C ATOM 671 C TYR A 52 -3.208 -13.169 -6.116 1.00 0.00 C ATOM 672 O TYR A 52 -2.083 -13.620 -6.327 1.00 0.00 O ATOM 673 CB TYR A 52 -3.578 -12.601 -3.719 1.00 0.00 C ATOM 674 CG TYR A 52 -4.213 -12.938 -2.369 1.00 0.00 C ATOM 675 CD1 TYR A 52 -5.505 -12.535 -2.095 1.00 0.00 C ATOM 676 CD2 TYR A 52 -3.496 -13.644 -1.425 1.00 0.00 C ATOM 677 CE1 TYR A 52 -6.103 -12.852 -0.823 1.00 0.00 C ATOM 678 CE2 TYR A 52 -4.095 -13.962 -0.154 1.00 0.00 C ATOM 679 CZ TYR A 52 -5.369 -13.549 0.084 1.00 0.00 C ATOM 680 OH TYR A 52 -5.933 -13.849 1.284 1.00 0.00 O ATOM 0 H TYR A 52 -2.605 -15.094 -4.463 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.039 -13.511 -5.078 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.493 -12.612 -3.612 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.860 -11.586 -3.998 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -6.067 -11.983 -2.834 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.485 -13.958 -1.639 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -7.112 -12.543 -0.595 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.545 -14.516 0.593 1.00 0.00 H new ATOM 0 HH TYR A 52 -5.292 -14.351 1.830 1.00 0.00 H new ATOM 689 N THR A 53 -3.849 -12.340 -6.928 1.00 0.00 N ATOM 690 CA THR A 53 -3.242 -11.890 -8.169 1.00 0.00 C ATOM 691 C THR A 53 -2.890 -10.404 -8.081 1.00 0.00 C ATOM 692 O THR A 53 -3.647 -9.615 -7.517 1.00 0.00 O ATOM 693 CB THR A 53 -4.204 -12.220 -9.311 1.00 0.00 C ATOM 694 OG1 THR A 53 -4.288 -13.643 -9.295 1.00 0.00 O ATOM 695 CG2 THR A 53 -3.614 -11.898 -10.685 1.00 0.00 C ATOM 0 H THR A 53 -4.782 -11.969 -6.750 1.00 0.00 H new ATOM 0 HA THR A 53 -2.300 -12.404 -8.359 1.00 0.00 H new ATOM 0 HB THR A 53 -5.132 -11.665 -9.175 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.152 -13.989 -10.202 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.337 -12.151 -11.460 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.380 -10.835 -10.740 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.704 -12.478 -10.835 1.00 0.00 H new ATOM 703 N ILE A 54 -1.741 -10.067 -8.647 1.00 0.00 N ATOM 704 CA ILE A 54 -1.278 -8.690 -8.641 1.00 0.00 C ATOM 705 C ILE A 54 -1.214 -8.170 -10.079 1.00 0.00 C ATOM 706 O ILE A 54 -0.947 -8.933 -11.006 1.00 0.00 O ATOM 707 CB ILE A 54 0.047 -8.573 -7.886 1.00 0.00 C ATOM 708 CG1 ILE A 54 -0.152 -8.813 -6.387 1.00 0.00 C ATOM 709 CG2 ILE A 54 0.721 -7.228 -8.166 1.00 0.00 C ATOM 710 CD1 ILE A 54 0.374 -10.189 -5.978 1.00 0.00 C ATOM 0 H ILE A 54 -1.116 -10.725 -9.113 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.982 -8.055 -8.103 1.00 0.00 H new ATOM 0 HB ILE A 54 0.717 -9.351 -8.251 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.364 -8.039 -5.819 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.211 -8.736 -6.140 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.661 -7.171 -7.617 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.918 -7.135 -9.234 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.065 -6.419 -7.847 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.221 -10.334 -4.909 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.161 -10.962 -6.530 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.438 -10.253 -6.204 1.00 0.00 H new ATOM 721 N GLN A 55 -1.464 -6.878 -10.219 1.00 0.00 N ATOM 722 CA GLN A 55 -1.437 -6.247 -11.528 1.00 0.00 C ATOM 723 C GLN A 55 -0.982 -4.791 -11.408 1.00 0.00 C ATOM 724 O GLN A 55 -1.478 -4.050 -10.560 1.00 0.00 O ATOM 725 CB GLN A 55 -2.805 -6.340 -12.208 1.00 0.00 C ATOM 726 CG GLN A 55 -3.259 -7.796 -12.331 1.00 0.00 C ATOM 727 CD GLN A 55 -4.372 -7.937 -13.371 1.00 0.00 C ATOM 728 OE1 GLN A 55 -5.191 -7.053 -13.566 1.00 0.00 O ATOM 729 NE2 GLN A 55 -4.357 -9.094 -14.025 1.00 0.00 N ATOM 0 H GLN A 55 -1.687 -6.249 -9.447 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.719 -6.780 -12.152 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.539 -5.774 -11.635 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.755 -5.886 -13.198 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.412 -8.422 -12.612 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.613 -8.153 -11.364 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.643 -9.791 -13.812 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -5.059 -9.285 -14.739 1.00 0.00 H new ATOM 736 N LYS A 56 -0.044 -4.426 -12.270 1.00 0.00 N ATOM 737 CA LYS A 56 0.484 -3.072 -12.270 1.00 0.00 C ATOM 738 C LYS A 56 0.030 -2.353 -13.542 1.00 0.00 C ATOM 739 O LYS A 56 -0.248 -2.993 -14.555 1.00 0.00 O ATOM 740 CB LYS A 56 2.002 -3.088 -12.081 1.00 0.00 C ATOM 741 CG LYS A 56 2.715 -3.388 -13.402 1.00 0.00 C ATOM 742 CD LYS A 56 4.095 -4.000 -13.152 1.00 0.00 C ATOM 743 CE LYS A 56 4.833 -4.243 -14.470 1.00 0.00 C ATOM 744 NZ LYS A 56 6.296 -4.138 -14.271 1.00 0.00 N ATOM 0 H LYS A 56 0.363 -5.043 -12.972 1.00 0.00 H new ATOM 0 HA LYS A 56 0.088 -2.509 -11.425 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.334 -2.124 -11.695 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.272 -3.839 -11.339 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.112 -4.073 -13.998 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.819 -2.470 -13.980 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.683 -3.335 -12.519 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.987 -4.941 -12.612 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.583 -5.231 -14.857 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.508 -3.517 -15.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.782 -4.306 -15.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.532 -3.187 -13.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.604 -4.848 -13.576 1.00 0.00 H new ATOM 754 N ALA A 57 -0.030 -1.033 -13.449 1.00 0.00 N ATOM 755 CA ALA A 57 -0.445 -0.221 -14.579 1.00 0.00 C ATOM 756 C ALA A 57 0.250 1.141 -14.506 1.00 0.00 C ATOM 757 O ALA A 57 0.848 1.483 -13.487 1.00 0.00 O ATOM 758 CB ALA A 57 -1.970 -0.097 -14.587 1.00 0.00 C ATOM 0 H ALA A 57 0.202 -0.505 -12.607 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.151 -0.692 -15.517 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.281 0.513 -15.435 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.415 -1.088 -14.670 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.302 0.373 -13.661 1.00 0.00 H new ATOM 764 N ASP A 58 0.148 1.881 -15.601 1.00 0.00 N ATOM 765 CA ASP A 58 0.758 3.198 -15.673 1.00 0.00 C ATOM 766 C ASP A 58 -0.307 4.230 -16.046 1.00 0.00 C ATOM 767 O ASP A 58 -1.458 3.875 -16.299 1.00 0.00 O ATOM 768 CB ASP A 58 1.852 3.239 -16.742 1.00 0.00 C ATOM 769 CG ASP A 58 3.148 3.930 -16.315 1.00 0.00 C ATOM 770 OD1 ASP A 58 3.101 4.642 -15.290 1.00 0.00 O ATOM 771 OD2 ASP A 58 4.159 3.729 -17.024 1.00 0.00 O ATOM 0 H ASP A 58 -0.348 1.594 -16.445 1.00 0.00 H new ATOM 0 HA ASP A 58 1.195 3.421 -14.700 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.085 2.217 -17.042 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.460 3.748 -17.622 1.00 0.00 H new ATOM 775 N LYS A 59 0.114 5.486 -16.069 1.00 0.00 N ATOM 776 CA LYS A 59 -0.790 6.572 -16.407 1.00 0.00 C ATOM 777 C LYS A 59 -0.744 6.817 -17.917 1.00 0.00 C ATOM 778 O LYS A 59 -1.142 7.881 -18.388 1.00 0.00 O ATOM 779 CB LYS A 59 -0.472 7.813 -15.571 1.00 0.00 C ATOM 780 CG LYS A 59 -1.387 7.902 -14.349 1.00 0.00 C ATOM 781 CD LYS A 59 -2.696 8.615 -14.694 1.00 0.00 C ATOM 782 CE LYS A 59 -2.708 10.039 -14.136 1.00 0.00 C ATOM 783 NZ LYS A 59 -4.008 10.692 -14.409 1.00 0.00 N ATOM 0 H LYS A 59 1.069 5.776 -15.859 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.817 6.305 -16.159 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.569 7.781 -15.249 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.589 8.707 -16.183 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.602 6.900 -13.977 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.878 8.437 -13.547 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.825 8.643 -15.776 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.538 8.054 -14.288 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.524 10.016 -13.062 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.902 10.619 -14.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.999 11.658 -14.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.168 10.730 -15.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.771 10.147 -13.960 1.00 0.00 H new ATOM 793 N LYS A 60 -0.254 5.815 -18.632 1.00 0.00 N ATOM 794 CA LYS A 60 -0.150 5.910 -20.078 1.00 0.00 C ATOM 795 C LYS A 60 -1.517 5.624 -20.703 1.00 0.00 C ATOM 796 O LYS A 60 -2.013 6.413 -21.506 1.00 0.00 O ATOM 797 CB LYS A 60 0.965 4.998 -20.596 1.00 0.00 C ATOM 798 CG LYS A 60 2.309 5.363 -19.963 1.00 0.00 C ATOM 799 CD LYS A 60 2.569 6.867 -20.058 1.00 0.00 C ATOM 800 CE LYS A 60 4.067 7.171 -19.985 1.00 0.00 C ATOM 801 NZ LYS A 60 4.428 8.234 -20.950 1.00 0.00 N ATOM 0 H LYS A 60 0.075 4.934 -18.237 1.00 0.00 H new ATOM 0 HA LYS A 60 0.132 6.920 -20.374 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.724 3.959 -20.372 1.00 0.00 H new ATOM 0 HB3 LYS A 60 1.035 5.082 -21.680 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.319 5.054 -18.918 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.110 4.819 -20.463 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.162 7.252 -20.993 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.050 7.381 -19.249 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.332 7.483 -18.975 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.638 6.268 -20.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.448 8.428 -20.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.193 7.922 -21.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.897 9.100 -20.727 1.00 0.00 H new ATOM 811 N SER A 61 -2.088 4.495 -20.309 1.00 0.00 N ATOM 812 CA SER A 61 -3.388 4.097 -20.822 1.00 0.00 C ATOM 813 C SER A 61 -4.076 3.158 -19.828 1.00 0.00 C ATOM 814 O SER A 61 -4.931 2.361 -20.211 1.00 0.00 O ATOM 815 CB SER A 61 -3.259 3.421 -22.188 1.00 0.00 C ATOM 816 OG SER A 61 -3.395 4.352 -23.259 1.00 0.00 O ATOM 0 H SER A 61 -1.675 3.844 -19.641 1.00 0.00 H new ATOM 0 HA SER A 61 -3.995 4.993 -20.947 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.290 2.927 -22.258 1.00 0.00 H new ATOM 0 HB3 SER A 61 -4.020 2.646 -22.282 1.00 0.00 H new ATOM 0 HG SER A 61 -3.010 5.214 -22.994 1.00 0.00 H new ATOM 821 N MET A 62 -3.678 3.285 -18.570 1.00 0.00 N ATOM 822 CA MET A 62 -4.245 2.457 -17.520 1.00 0.00 C ATOM 823 C MET A 62 -4.192 0.975 -17.898 1.00 0.00 C ATOM 824 O MET A 62 -5.110 0.218 -17.589 1.00 0.00 O ATOM 825 CB MET A 62 -5.698 2.869 -17.273 1.00 0.00 C ATOM 826 CG MET A 62 -5.782 4.314 -16.775 1.00 0.00 C ATOM 827 SD MET A 62 -4.865 4.488 -15.254 1.00 0.00 S ATOM 828 CE MET A 62 -5.801 3.394 -14.200 1.00 0.00 C ATOM 0 H MET A 62 -2.970 3.949 -18.255 1.00 0.00 H new ATOM 0 HA MET A 62 -3.657 2.602 -16.614 1.00 0.00 H new ATOM 0 HB2 MET A 62 -6.271 2.764 -18.194 1.00 0.00 H new ATOM 0 HB3 MET A 62 -6.149 2.201 -16.539 1.00 0.00 H new ATOM 0 HG2 MET A 62 -5.383 4.992 -17.530 1.00 0.00 H new ATOM 0 HG3 MET A 62 -6.824 4.593 -16.615 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.792 3.776 -13.179 1.00 0.00 H new ATOM 0 HE2 MET A 62 -6.829 3.336 -14.557 1.00 0.00 H new ATOM 0 HE3 MET A 62 -5.354 2.400 -14.219 1.00 0.00 H new ATOM 836 N GLU A 63 -3.107 0.607 -18.563 1.00 0.00 N ATOM 837 CA GLU A 63 -2.922 -0.771 -18.988 1.00 0.00 C ATOM 838 C GLU A 63 -2.516 -1.642 -17.797 1.00 0.00 C ATOM 839 O GLU A 63 -1.609 -1.290 -17.046 1.00 0.00 O ATOM 840 CB GLU A 63 -1.889 -0.863 -20.112 1.00 0.00 C ATOM 841 CG GLU A 63 -2.268 0.048 -21.282 1.00 0.00 C ATOM 842 CD GLU A 63 -1.506 -0.342 -22.550 1.00 0.00 C ATOM 843 OE1 GLU A 63 -0.262 -0.432 -22.460 1.00 0.00 O ATOM 844 OE2 GLU A 63 -2.185 -0.541 -23.581 1.00 0.00 O ATOM 0 H GLU A 63 -2.347 1.238 -18.818 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.869 -1.142 -19.379 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.907 -0.583 -19.732 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.814 -1.894 -20.459 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.341 -0.015 -21.464 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.049 1.085 -21.026 1.00 0.00 H new ATOM 849 N TRP A 64 -3.208 -2.764 -17.664 1.00 0.00 N ATOM 850 CA TRP A 64 -2.932 -3.689 -16.579 1.00 0.00 C ATOM 851 C TRP A 64 -2.156 -4.876 -17.154 1.00 0.00 C ATOM 852 O TRP A 64 -2.552 -5.448 -18.167 1.00 0.00 O ATOM 853 CB TRP A 64 -4.223 -4.107 -15.871 1.00 0.00 C ATOM 854 CG TRP A 64 -5.022 -2.937 -15.293 1.00 0.00 C ATOM 855 CD1 TRP A 64 -6.103 -2.339 -15.813 1.00 0.00 C ATOM 856 CD2 TRP A 64 -4.757 -2.244 -14.055 1.00 0.00 C ATOM 857 NE1 TRP A 64 -6.552 -1.315 -15.004 1.00 0.00 N ATOM 858 CE2 TRP A 64 -5.709 -1.256 -13.901 1.00 0.00 C ATOM 859 CE3 TRP A 64 -3.748 -2.445 -13.097 1.00 0.00 C ATOM 860 CZ2 TRP A 64 -5.744 -0.391 -12.800 1.00 0.00 C ATOM 861 CZ3 TRP A 64 -3.797 -1.572 -12.003 1.00 0.00 C ATOM 862 CH2 TRP A 64 -4.748 -0.573 -11.834 1.00 0.00 C ATOM 0 H TRP A 64 -3.959 -3.053 -18.290 1.00 0.00 H new ATOM 0 HA TRP A 64 -2.321 -3.211 -15.813 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -4.852 -4.651 -16.576 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.976 -4.798 -15.065 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -6.564 -2.623 -16.747 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -7.355 -0.712 -15.183 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.994 -3.212 -13.197 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.499 0.375 -12.702 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -3.043 -1.683 -11.237 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.719 0.061 -10.960 1.00 0.00 H new ATOM 872 N PHE A 65 -1.063 -5.209 -16.482 1.00 0.00 N ATOM 873 CA PHE A 65 -0.228 -6.317 -16.915 1.00 0.00 C ATOM 874 C PHE A 65 -0.008 -7.314 -15.776 1.00 0.00 C ATOM 875 O PHE A 65 0.728 -7.031 -14.831 1.00 0.00 O ATOM 876 CB PHE A 65 1.121 -5.725 -17.326 1.00 0.00 C ATOM 877 CG PHE A 65 1.387 -5.768 -18.833 1.00 0.00 C ATOM 878 CD1 PHE A 65 0.581 -5.080 -19.685 1.00 0.00 C ATOM 879 CD2 PHE A 65 2.427 -6.496 -19.319 1.00 0.00 C ATOM 880 CE1 PHE A 65 0.827 -5.120 -21.083 1.00 0.00 C ATOM 881 CE2 PHE A 65 2.673 -6.538 -20.717 1.00 0.00 C ATOM 882 CZ PHE A 65 1.868 -5.848 -21.569 1.00 0.00 C ATOM 0 H PHE A 65 -0.737 -4.731 -15.642 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.708 -6.846 -17.738 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.170 -4.690 -16.988 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.915 -6.266 -16.812 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -0.246 -4.503 -19.299 1.00 0.00 H new ATOM 0 HD2 PHE A 65 3.066 -7.043 -18.642 1.00 0.00 H new ATOM 0 HE1 PHE A 65 0.188 -4.573 -21.760 1.00 0.00 H new ATOM 0 HE2 PHE A 65 3.499 -7.117 -21.103 1.00 0.00 H new ATOM 0 HZ PHE A 65 2.056 -5.878 -22.632 1.00 0.00 H new ATOM 891 N THR A 66 -0.658 -8.461 -15.903 1.00 0.00 N ATOM 892 CA THR A 66 -0.542 -9.502 -14.896 1.00 0.00 C ATOM 893 C THR A 66 0.895 -9.587 -14.378 1.00 0.00 C ATOM 894 O THR A 66 1.804 -9.960 -15.119 1.00 0.00 O ATOM 895 CB THR A 66 -1.046 -10.811 -15.509 1.00 0.00 C ATOM 896 OG1 THR A 66 -2.465 -10.680 -15.490 1.00 0.00 O ATOM 897 CG2 THR A 66 -0.772 -12.021 -14.613 1.00 0.00 C ATOM 0 H THR A 66 -1.267 -8.693 -16.688 1.00 0.00 H new ATOM 0 HA THR A 66 -1.155 -9.277 -14.023 1.00 0.00 H new ATOM 0 HB THR A 66 -0.573 -10.963 -16.479 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.873 -11.485 -15.872 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.149 -12.923 -15.095 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.301 -12.118 -14.451 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.273 -11.885 -13.655 1.00 0.00 H new ATOM 905 N VAL A 67 1.056 -9.234 -13.112 1.00 0.00 N ATOM 906 CA VAL A 67 2.367 -9.266 -12.487 1.00 0.00 C ATOM 907 C VAL A 67 2.659 -10.684 -11.995 1.00 0.00 C ATOM 908 O VAL A 67 3.769 -11.186 -12.159 1.00 0.00 O ATOM 909 CB VAL A 67 2.441 -8.219 -11.373 1.00 0.00 C ATOM 910 CG1 VAL A 67 3.687 -8.425 -10.509 1.00 0.00 C ATOM 911 CG2 VAL A 67 2.401 -6.802 -11.949 1.00 0.00 C ATOM 0 H VAL A 67 0.300 -8.924 -12.501 1.00 0.00 H new ATOM 0 HA VAL A 67 3.141 -9.008 -13.210 1.00 0.00 H new ATOM 0 HB VAL A 67 1.566 -8.346 -10.735 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.715 -7.668 -9.725 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.656 -9.416 -10.056 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.579 -8.338 -11.130 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.455 -6.077 -11.137 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.248 -6.658 -12.620 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.472 -6.660 -12.501 1.00 0.00 H new ATOM 921 N ILE A 68 1.642 -11.290 -11.399 1.00 0.00 N ATOM 922 CA ILE A 68 1.775 -12.642 -10.881 1.00 0.00 C ATOM 923 C ILE A 68 0.386 -13.263 -10.728 1.00 0.00 C ATOM 924 O ILE A 68 -0.623 -12.564 -10.800 1.00 0.00 O ATOM 925 CB ILE A 68 2.595 -12.642 -9.590 1.00 0.00 C ATOM 926 CG1 ILE A 68 3.838 -13.523 -9.730 1.00 0.00 C ATOM 927 CG2 ILE A 68 1.734 -13.050 -8.393 1.00 0.00 C ATOM 928 CD1 ILE A 68 3.450 -14.977 -10.007 1.00 0.00 C ATOM 0 H ILE A 68 0.723 -10.870 -11.263 1.00 0.00 H new ATOM 0 HA ILE A 68 2.328 -13.267 -11.582 1.00 0.00 H new ATOM 0 HB ILE A 68 2.941 -11.625 -9.405 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.464 -13.149 -10.540 1.00 0.00 H new ATOM 0 HG13 ILE A 68 4.432 -13.469 -8.817 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.342 -13.042 -7.488 1.00 0.00 H new ATOM 0 HG22 ILE A 68 0.908 -12.347 -8.282 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.338 -14.052 -8.555 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.351 -15.582 -10.102 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.844 -15.355 -9.183 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.877 -15.031 -10.933 1.00 0.00 H new ATOM 939 N GLU A 69 0.378 -14.572 -10.517 1.00 0.00 N ATOM 940 CA GLU A 69 -0.870 -15.296 -10.353 1.00 0.00 C ATOM 941 C GLU A 69 -0.734 -16.346 -9.249 1.00 0.00 C ATOM 942 O GLU A 69 0.338 -16.918 -9.061 1.00 0.00 O ATOM 943 CB GLU A 69 -1.309 -15.940 -11.670 1.00 0.00 C ATOM 944 CG GLU A 69 -1.602 -14.876 -12.729 1.00 0.00 C ATOM 945 CD GLU A 69 -3.107 -14.743 -12.972 1.00 0.00 C ATOM 946 OE1 GLU A 69 -3.826 -14.525 -11.973 1.00 0.00 O ATOM 947 OE2 GLU A 69 -3.505 -14.864 -14.151 1.00 0.00 O ATOM 0 H GLU A 69 1.217 -15.149 -10.456 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.642 -14.585 -10.059 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.528 -16.610 -12.029 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.199 -16.547 -11.503 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.196 -13.917 -12.408 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.101 -15.138 -13.661 1.00 0.00 H new ATOM 952 N HIS A 70 -1.835 -16.566 -8.545 1.00 0.00 N ATOM 953 CA HIS A 70 -1.852 -17.536 -7.464 1.00 0.00 C ATOM 954 C HIS A 70 -0.636 -17.320 -6.561 1.00 0.00 C ATOM 955 O HIS A 70 0.261 -18.160 -6.509 1.00 0.00 O ATOM 956 CB HIS A 70 -1.934 -18.962 -8.015 1.00 0.00 C ATOM 957 CG HIS A 70 -2.753 -19.085 -9.277 1.00 0.00 C ATOM 958 ND1 HIS A 70 -4.051 -19.565 -9.285 1.00 0.00 N ATOM 959 CD2 HIS A 70 -2.445 -18.788 -10.573 1.00 0.00 C ATOM 960 CE1 HIS A 70 -4.495 -19.553 -10.533 1.00 0.00 C ATOM 961 NE2 HIS A 70 -3.498 -19.071 -11.330 1.00 0.00 N ATOM 0 H HIS A 70 -2.722 -16.088 -8.703 1.00 0.00 H new ATOM 0 HA HIS A 70 -2.744 -17.391 -6.855 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.925 -19.323 -8.212 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -2.362 -19.612 -7.251 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -1.504 -18.390 -10.923 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -5.474 -19.869 -10.862 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -3.553 -18.948 -12.341 1.00 0.00 H new ATOM 968 N TYR A 71 -0.646 -16.188 -5.872 1.00 0.00 N ATOM 969 CA TYR A 71 0.445 -15.850 -4.974 1.00 0.00 C ATOM 970 C TYR A 71 0.168 -16.361 -3.558 1.00 0.00 C ATOM 971 O TYR A 71 -0.887 -16.935 -3.298 1.00 0.00 O ATOM 972 CB TYR A 71 0.510 -14.321 -4.947 1.00 0.00 C ATOM 973 CG TYR A 71 1.908 -13.763 -4.669 1.00 0.00 C ATOM 974 CD1 TYR A 71 3.010 -14.321 -5.284 1.00 0.00 C ATOM 975 CD2 TYR A 71 2.066 -12.701 -3.801 1.00 0.00 C ATOM 976 CE1 TYR A 71 4.324 -13.796 -5.022 1.00 0.00 C ATOM 977 CE2 TYR A 71 3.382 -12.177 -3.539 1.00 0.00 C ATOM 978 CZ TYR A 71 4.445 -12.749 -4.162 1.00 0.00 C ATOM 979 OH TYR A 71 5.688 -12.254 -3.914 1.00 0.00 O ATOM 0 H TYR A 71 -1.392 -15.494 -5.918 1.00 0.00 H new ATOM 0 HA TYR A 71 1.376 -16.303 -5.314 1.00 0.00 H new ATOM 0 HB2 TYR A 71 0.160 -13.936 -5.905 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -0.176 -13.952 -4.185 1.00 0.00 H new ATOM 0 HD1 TYR A 71 2.886 -15.152 -5.962 1.00 0.00 H new ATOM 0 HD2 TYR A 71 1.204 -12.264 -3.319 1.00 0.00 H new ATOM 0 HE1 TYR A 71 5.194 -14.224 -5.497 1.00 0.00 H new ATOM 0 HE2 TYR A 71 3.521 -11.347 -2.862 1.00 0.00 H new ATOM 0 HH TYR A 71 5.623 -11.508 -3.282 1.00 0.00 H new ATOM 988 N HIS A 72 1.135 -16.133 -2.682 1.00 0.00 N ATOM 989 CA HIS A 72 1.009 -16.563 -1.300 1.00 0.00 C ATOM 990 C HIS A 72 0.966 -15.339 -0.383 1.00 0.00 C ATOM 991 O HIS A 72 -0.062 -15.052 0.228 1.00 0.00 O ATOM 992 CB HIS A 72 2.126 -17.542 -0.932 1.00 0.00 C ATOM 993 CG HIS A 72 1.657 -18.743 -0.146 1.00 0.00 C ATOM 994 ND1 HIS A 72 0.506 -19.443 -0.464 1.00 0.00 N ATOM 995 CD2 HIS A 72 2.193 -19.359 0.946 1.00 0.00 C ATOM 996 CE1 HIS A 72 0.366 -20.435 0.405 1.00 0.00 C ATOM 997 NE2 HIS A 72 1.413 -20.381 1.278 1.00 0.00 N ATOM 0 H HIS A 72 2.009 -15.656 -2.902 1.00 0.00 H new ATOM 0 HA HIS A 72 0.072 -17.105 -1.168 1.00 0.00 H new ATOM 0 HB2 HIS A 72 2.610 -17.886 -1.846 1.00 0.00 H new ATOM 0 HB3 HIS A 72 2.882 -17.013 -0.351 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -0.127 -19.232 -1.236 1.00 0.00 H new ATOM 0 HD2 HIS A 72 3.099 -19.065 1.455 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -0.436 -21.158 0.419 1.00 0.00 H new ATOM 1004 N ARG A 73 2.096 -14.650 -0.316 1.00 0.00 N ATOM 1005 CA ARG A 73 2.201 -13.464 0.516 1.00 0.00 C ATOM 1006 C ARG A 73 1.140 -12.438 0.113 1.00 0.00 C ATOM 1007 O ARG A 73 0.454 -12.611 -0.893 1.00 0.00 O ATOM 1008 CB ARG A 73 3.588 -12.828 0.396 1.00 0.00 C ATOM 1009 CG ARG A 73 4.279 -12.758 1.759 1.00 0.00 C ATOM 1010 CD ARG A 73 4.636 -11.315 2.120 1.00 0.00 C ATOM 1011 NE ARG A 73 5.403 -11.284 3.385 1.00 0.00 N ATOM 1012 CZ ARG A 73 4.857 -11.450 4.598 1.00 0.00 C ATOM 1013 NH1 ARG A 73 3.540 -11.659 4.718 1.00 0.00 N ATOM 1014 NH2 ARG A 73 5.631 -11.407 5.691 1.00 0.00 N ATOM 0 H ARG A 73 2.947 -14.891 -0.825 1.00 0.00 H new ATOM 0 HA ARG A 73 2.042 -13.769 1.550 1.00 0.00 H new ATOM 0 HB2 ARG A 73 4.199 -13.407 -0.296 1.00 0.00 H new ATOM 0 HB3 ARG A 73 3.497 -11.825 -0.022 1.00 0.00 H new ATOM 0 HG2 ARG A 73 3.625 -13.177 2.524 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.183 -13.367 1.744 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.222 -10.866 1.319 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.727 -10.722 2.222 1.00 0.00 H new ATOM 0 HE ARG A 73 6.409 -11.127 3.331 1.00 0.00 H new ATOM 0 HH11 ARG A 73 2.951 -11.692 3.886 1.00 0.00 H new ATOM 0 HH12 ARG A 73 3.126 -11.785 5.641 1.00 0.00 H new ATOM 0 HH21 ARG A 73 6.634 -11.248 5.599 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.217 -11.533 6.615 1.00 0.00 H new ATOM 1025 N THR A 74 1.039 -11.391 0.919 1.00 0.00 N ATOM 1026 CA THR A 74 0.073 -10.337 0.659 1.00 0.00 C ATOM 1027 C THR A 74 0.788 -9.051 0.240 1.00 0.00 C ATOM 1028 O THR A 74 0.169 -7.990 0.162 1.00 0.00 O ATOM 1029 CB THR A 74 -0.794 -10.171 1.909 1.00 0.00 C ATOM 1030 OG1 THR A 74 0.148 -10.067 2.974 1.00 0.00 O ATOM 1031 CG2 THR A 74 -1.592 -11.434 2.240 1.00 0.00 C ATOM 0 H THR A 74 1.610 -11.250 1.752 1.00 0.00 H new ATOM 0 HA THR A 74 -0.580 -10.595 -0.175 1.00 0.00 H new ATOM 0 HB THR A 74 -1.479 -9.335 1.767 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.329 -9.955 3.823 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.190 -11.262 3.135 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.250 -11.678 1.406 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.906 -12.262 2.415 1.00 0.00 H new ATOM 1039 N SER A 75 2.079 -9.187 -0.019 1.00 0.00 N ATOM 1040 CA SER A 75 2.885 -8.048 -0.428 1.00 0.00 C ATOM 1041 C SER A 75 3.869 -8.470 -1.521 1.00 0.00 C ATOM 1042 O SER A 75 4.384 -9.588 -1.501 1.00 0.00 O ATOM 1043 CB SER A 75 3.637 -7.450 0.762 1.00 0.00 C ATOM 1044 OG SER A 75 3.690 -8.348 1.867 1.00 0.00 O ATOM 0 H SER A 75 2.588 -10.068 0.046 1.00 0.00 H new ATOM 0 HA SER A 75 2.219 -7.281 -0.824 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.651 -7.191 0.457 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.150 -6.525 1.070 1.00 0.00 H new ATOM 0 HG SER A 75 4.180 -7.929 2.605 1.00 0.00 H new ATOM 1049 N ALA A 76 4.102 -7.554 -2.449 1.00 0.00 N ATOM 1050 CA ALA A 76 5.015 -7.816 -3.548 1.00 0.00 C ATOM 1051 C ALA A 76 5.613 -6.495 -4.036 1.00 0.00 C ATOM 1052 O ALA A 76 4.895 -5.510 -4.205 1.00 0.00 O ATOM 1053 CB ALA A 76 4.277 -8.567 -4.657 1.00 0.00 C ATOM 0 H ALA A 76 3.674 -6.628 -2.462 1.00 0.00 H new ATOM 0 HA ALA A 76 5.839 -8.449 -3.219 1.00 0.00 H new ATOM 0 HB1 ALA A 76 4.962 -8.764 -5.482 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.898 -9.512 -4.267 1.00 0.00 H new ATOM 0 HB3 ALA A 76 3.444 -7.962 -5.014 1.00 0.00 H new ATOM 1059 N THR A 77 6.920 -6.516 -4.249 1.00 0.00 N ATOM 1060 CA THR A 77 7.621 -5.332 -4.714 1.00 0.00 C ATOM 1061 C THR A 77 7.621 -5.278 -6.244 1.00 0.00 C ATOM 1062 O THR A 77 7.965 -6.258 -6.902 1.00 0.00 O ATOM 1063 CB THR A 77 9.026 -5.345 -4.107 1.00 0.00 C ATOM 1064 OG1 THR A 77 8.796 -5.451 -2.705 1.00 0.00 O ATOM 1065 CG2 THR A 77 9.746 -4.005 -4.267 1.00 0.00 C ATOM 0 H THR A 77 7.512 -7.335 -4.108 1.00 0.00 H new ATOM 0 HA THR A 77 7.118 -4.422 -4.388 1.00 0.00 H new ATOM 0 HB THR A 77 9.617 -6.132 -4.576 1.00 0.00 H new ATOM 0 HG1 THR A 77 9.655 -5.468 -2.233 1.00 0.00 H new ATOM 0 HG21 THR A 77 10.738 -4.069 -3.819 1.00 0.00 H new ATOM 0 HG22 THR A 77 9.841 -3.767 -5.326 1.00 0.00 H new ATOM 0 HG23 THR A 77 9.173 -3.222 -3.769 1.00 0.00 H new ATOM 1073 N ILE A 78 7.232 -4.123 -6.763 1.00 0.00 N ATOM 1074 CA ILE A 78 7.182 -3.929 -8.202 1.00 0.00 C ATOM 1075 C ILE A 78 8.514 -3.346 -8.679 1.00 0.00 C ATOM 1076 O ILE A 78 9.291 -2.826 -7.880 1.00 0.00 O ATOM 1077 CB ILE A 78 5.968 -3.081 -8.586 1.00 0.00 C ATOM 1078 CG1 ILE A 78 4.692 -3.625 -7.938 1.00 0.00 C ATOM 1079 CG2 ILE A 78 5.836 -2.970 -10.106 1.00 0.00 C ATOM 1080 CD1 ILE A 78 4.164 -4.840 -8.704 1.00 0.00 C ATOM 0 H ILE A 78 6.949 -3.312 -6.213 1.00 0.00 H new ATOM 0 HA ILE A 78 7.049 -4.884 -8.711 1.00 0.00 H new ATOM 0 HB ILE A 78 6.120 -2.073 -8.201 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.895 -3.903 -6.904 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.930 -2.846 -7.915 1.00 0.00 H new ATOM 0 HG21 ILE A 78 4.965 -2.362 -10.352 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.732 -2.504 -10.516 1.00 0.00 H new ATOM 0 HG23 ILE A 78 5.717 -3.965 -10.534 1.00 0.00 H new ATOM 0 HD11 ILE A 78 3.257 -5.207 -8.223 1.00 0.00 H new ATOM 0 HD12 ILE A 78 3.939 -4.553 -9.731 1.00 0.00 H new ATOM 0 HD13 ILE A 78 4.919 -5.626 -8.704 1.00 0.00 H new ATOM 1091 N THR A 79 8.737 -3.454 -9.981 1.00 0.00 N ATOM 1092 CA THR A 79 9.962 -2.945 -10.575 1.00 0.00 C ATOM 1093 C THR A 79 9.653 -2.194 -11.872 1.00 0.00 C ATOM 1094 O THR A 79 8.489 -1.990 -12.214 1.00 0.00 O ATOM 1095 CB THR A 79 10.920 -4.122 -10.768 1.00 0.00 C ATOM 1096 OG1 THR A 79 11.926 -3.612 -11.638 1.00 0.00 O ATOM 1097 CG2 THR A 79 10.286 -5.267 -11.559 1.00 0.00 C ATOM 0 H THR A 79 8.090 -3.886 -10.641 1.00 0.00 H new ATOM 0 HA THR A 79 10.446 -2.218 -9.922 1.00 0.00 H new ATOM 0 HB THR A 79 11.245 -4.490 -9.795 1.00 0.00 H new ATOM 0 HG1 THR A 79 12.590 -4.310 -11.815 1.00 0.00 H new ATOM 0 HG21 THR A 79 11.007 -6.077 -11.668 1.00 0.00 H new ATOM 0 HG22 THR A 79 9.407 -5.633 -11.028 1.00 0.00 H new ATOM 0 HG23 THR A 79 9.991 -4.908 -12.545 1.00 0.00 H new ATOM 1105 N GLU A 80 10.716 -1.802 -12.559 1.00 0.00 N ATOM 1106 CA GLU A 80 10.574 -1.079 -13.811 1.00 0.00 C ATOM 1107 C GLU A 80 9.715 0.171 -13.607 1.00 0.00 C ATOM 1108 O GLU A 80 8.722 0.367 -14.305 1.00 0.00 O ATOM 1109 CB GLU A 80 9.984 -1.977 -14.899 1.00 0.00 C ATOM 1110 CG GLU A 80 10.981 -3.062 -15.315 1.00 0.00 C ATOM 1111 CD GLU A 80 10.265 -4.236 -15.986 1.00 0.00 C ATOM 1112 OE1 GLU A 80 9.632 -5.016 -15.242 1.00 0.00 O ATOM 1113 OE2 GLU A 80 10.367 -4.327 -17.229 1.00 0.00 O ATOM 0 H GLU A 80 11.680 -1.972 -12.272 1.00 0.00 H new ATOM 0 HA GLU A 80 11.564 -0.766 -14.142 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.067 -2.441 -14.535 1.00 0.00 H new ATOM 0 HB3 GLU A 80 9.714 -1.374 -15.766 1.00 0.00 H new ATOM 0 HG2 GLU A 80 11.717 -2.641 -16.000 1.00 0.00 H new ATOM 0 HG3 GLU A 80 11.525 -3.416 -14.439 1.00 0.00 H new ATOM 1118 N LEU A 81 10.130 0.984 -12.646 1.00 0.00 N ATOM 1119 CA LEU A 81 9.410 2.209 -12.342 1.00 0.00 C ATOM 1120 C LEU A 81 10.324 3.409 -12.600 1.00 0.00 C ATOM 1121 O LEU A 81 11.476 3.422 -12.169 1.00 0.00 O ATOM 1122 CB LEU A 81 8.847 2.161 -10.920 1.00 0.00 C ATOM 1123 CG LEU A 81 7.791 1.086 -10.653 1.00 0.00 C ATOM 1124 CD1 LEU A 81 7.543 0.922 -9.152 1.00 0.00 C ATOM 1125 CD2 LEU A 81 6.500 1.385 -11.418 1.00 0.00 C ATOM 0 H LEU A 81 10.954 0.819 -12.069 1.00 0.00 H new ATOM 0 HA LEU A 81 8.547 2.317 -12.999 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.675 2.009 -10.228 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.413 3.134 -10.689 1.00 0.00 H new ATOM 0 HG LEU A 81 8.171 0.134 -11.022 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.789 0.152 -8.990 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.471 0.630 -8.660 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.193 1.867 -8.736 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.766 0.606 -11.211 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.104 2.350 -11.101 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.709 1.412 -12.487 1.00 0.00 H new ATOM 1136 N VAL A 82 9.775 4.389 -13.302 1.00 0.00 N ATOM 1137 CA VAL A 82 10.525 5.591 -13.624 1.00 0.00 C ATOM 1138 C VAL A 82 10.268 6.651 -12.551 1.00 0.00 C ATOM 1139 O VAL A 82 9.143 6.797 -12.076 1.00 0.00 O ATOM 1140 CB VAL A 82 10.171 6.069 -15.034 1.00 0.00 C ATOM 1141 CG1 VAL A 82 8.673 6.359 -15.154 1.00 0.00 C ATOM 1142 CG2 VAL A 82 11.000 7.295 -15.422 1.00 0.00 C ATOM 0 H VAL A 82 8.819 4.375 -13.657 1.00 0.00 H new ATOM 0 HA VAL A 82 11.595 5.383 -13.626 1.00 0.00 H new ATOM 0 HB VAL A 82 10.414 5.267 -15.731 1.00 0.00 H new ATOM 0 HG11 VAL A 82 8.448 6.697 -16.165 1.00 0.00 H new ATOM 0 HG12 VAL A 82 8.108 5.451 -14.941 1.00 0.00 H new ATOM 0 HG13 VAL A 82 8.394 7.135 -14.442 1.00 0.00 H new ATOM 0 HG21 VAL A 82 10.729 7.614 -16.428 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.803 8.105 -14.719 1.00 0.00 H new ATOM 0 HG23 VAL A 82 12.060 7.041 -15.395 1.00 0.00 H new ATOM 1152 N ILE A 83 11.328 7.363 -12.200 1.00 0.00 N ATOM 1153 CA ILE A 83 11.230 8.406 -11.193 1.00 0.00 C ATOM 1154 C ILE A 83 10.678 9.679 -11.835 1.00 0.00 C ATOM 1155 O ILE A 83 11.413 10.417 -12.490 1.00 0.00 O ATOM 1156 CB ILE A 83 12.577 8.602 -10.494 1.00 0.00 C ATOM 1157 CG1 ILE A 83 13.042 7.309 -9.823 1.00 0.00 C ATOM 1158 CG2 ILE A 83 12.517 9.770 -9.507 1.00 0.00 C ATOM 1159 CD1 ILE A 83 14.463 7.455 -9.273 1.00 0.00 C ATOM 0 H ILE A 83 12.260 7.238 -12.595 1.00 0.00 H new ATOM 0 HA ILE A 83 10.530 8.116 -10.410 1.00 0.00 H new ATOM 0 HB ILE A 83 13.320 8.856 -11.250 1.00 0.00 H new ATOM 0 HG12 ILE A 83 12.360 7.050 -9.013 1.00 0.00 H new ATOM 0 HG13 ILE A 83 13.009 6.490 -10.542 1.00 0.00 H new ATOM 0 HG21 ILE A 83 13.487 9.888 -9.024 1.00 0.00 H new ATOM 0 HG22 ILE A 83 12.264 10.686 -10.042 1.00 0.00 H new ATOM 0 HG23 ILE A 83 11.757 9.569 -8.752 1.00 0.00 H new ATOM 0 HD11 ILE A 83 14.768 6.521 -8.801 1.00 0.00 H new ATOM 0 HD12 ILE A 83 15.147 7.690 -10.089 1.00 0.00 H new ATOM 0 HD13 ILE A 83 14.487 8.258 -8.537 1.00 0.00 H new ATOM 1170 N GLY A 84 9.388 9.899 -11.623 1.00 0.00 N ATOM 1171 CA GLY A 84 8.729 11.071 -12.173 1.00 0.00 C ATOM 1172 C GLY A 84 7.298 10.744 -12.604 1.00 0.00 C ATOM 1173 O GLY A 84 6.407 11.586 -12.499 1.00 0.00 O ATOM 0 H GLY A 84 8.782 9.285 -11.078 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.715 11.868 -11.429 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.294 11.443 -13.028 1.00 0.00 H new ATOM 1177 N ASN A 85 7.122 9.520 -13.078 1.00 0.00 N ATOM 1178 CA ASN A 85 5.814 9.071 -13.526 1.00 0.00 C ATOM 1179 C ASN A 85 5.120 8.322 -12.386 1.00 0.00 C ATOM 1180 O ASN A 85 5.774 7.869 -11.448 1.00 0.00 O ATOM 1181 CB ASN A 85 5.937 8.116 -14.714 1.00 0.00 C ATOM 1182 CG ASN A 85 6.239 8.882 -16.004 1.00 0.00 C ATOM 1183 OD1 ASN A 85 5.924 10.051 -16.151 1.00 0.00 O ATOM 1184 ND2 ASN A 85 6.867 8.159 -16.928 1.00 0.00 N ATOM 0 H ASN A 85 7.863 8.824 -13.162 1.00 0.00 H new ATOM 0 HA ASN A 85 5.240 9.948 -13.827 1.00 0.00 H new ATOM 0 HB2 ASN A 85 6.729 7.392 -14.523 1.00 0.00 H new ATOM 0 HB3 ASN A 85 5.011 7.552 -14.830 1.00 0.00 H new ATOM 0 HD21 ASN A 85 7.114 8.580 -17.824 1.00 0.00 H new ATOM 0 HD22 ASN A 85 7.102 7.184 -16.740 1.00 0.00 H new ATOM 1190 N GLU A 86 3.806 8.214 -12.506 1.00 0.00 N ATOM 1191 CA GLU A 86 3.016 7.528 -11.499 1.00 0.00 C ATOM 1192 C GLU A 86 2.575 6.155 -12.013 1.00 0.00 C ATOM 1193 O GLU A 86 2.698 5.866 -13.203 1.00 0.00 O ATOM 1194 CB GLU A 86 1.810 8.370 -11.079 1.00 0.00 C ATOM 1195 CG GLU A 86 2.226 9.808 -10.769 1.00 0.00 C ATOM 1196 CD GLU A 86 1.039 10.764 -10.897 1.00 0.00 C ATOM 1197 OE1 GLU A 86 -0.102 10.252 -10.911 1.00 0.00 O ATOM 1198 OE2 GLU A 86 1.298 11.984 -10.978 1.00 0.00 O ATOM 0 H GLU A 86 3.268 8.591 -13.286 1.00 0.00 H new ATOM 0 HA GLU A 86 3.639 7.381 -10.617 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.065 8.367 -11.875 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.340 7.926 -10.201 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.634 9.862 -9.760 1.00 0.00 H new ATOM 0 HG3 GLU A 86 3.020 10.115 -11.450 1.00 0.00 H new ATOM 1203 N TYR A 87 2.071 5.347 -11.092 1.00 0.00 N ATOM 1204 CA TYR A 87 1.611 4.013 -11.438 1.00 0.00 C ATOM 1205 C TYR A 87 0.512 3.547 -10.482 1.00 0.00 C ATOM 1206 O TYR A 87 0.478 3.957 -9.322 1.00 0.00 O ATOM 1207 CB TYR A 87 2.825 3.096 -11.287 1.00 0.00 C ATOM 1208 CG TYR A 87 3.952 3.385 -12.282 1.00 0.00 C ATOM 1209 CD1 TYR A 87 3.974 2.746 -13.504 1.00 0.00 C ATOM 1210 CD2 TYR A 87 4.945 4.285 -11.955 1.00 0.00 C ATOM 1211 CE1 TYR A 87 5.034 3.018 -14.440 1.00 0.00 C ATOM 1212 CE2 TYR A 87 6.005 4.558 -12.891 1.00 0.00 C ATOM 1213 CZ TYR A 87 5.998 3.910 -14.087 1.00 0.00 C ATOM 1214 OH TYR A 87 6.999 4.168 -14.970 1.00 0.00 O ATOM 0 H TYR A 87 1.971 5.590 -10.107 1.00 0.00 H new ATOM 0 HA TYR A 87 1.200 3.999 -12.447 1.00 0.00 H new ATOM 0 HB2 TYR A 87 3.216 3.191 -10.274 1.00 0.00 H new ATOM 0 HB3 TYR A 87 2.503 2.062 -11.409 1.00 0.00 H new ATOM 0 HD1 TYR A 87 3.196 2.042 -13.759 1.00 0.00 H new ATOM 0 HD2 TYR A 87 4.928 4.785 -10.998 1.00 0.00 H new ATOM 0 HE1 TYR A 87 5.063 2.525 -15.400 1.00 0.00 H new ATOM 0 HE2 TYR A 87 6.788 5.261 -12.649 1.00 0.00 H new ATOM 0 HH TYR A 87 6.665 4.057 -15.885 1.00 0.00 H new ATOM 1223 N TYR A 88 -0.361 2.696 -11.002 1.00 0.00 N ATOM 1224 CA TYR A 88 -1.458 2.170 -10.209 1.00 0.00 C ATOM 1225 C TYR A 88 -1.254 0.683 -9.911 1.00 0.00 C ATOM 1226 O TYR A 88 -0.279 0.084 -10.361 1.00 0.00 O ATOM 1227 CB TYR A 88 -2.715 2.339 -11.063 1.00 0.00 C ATOM 1228 CG TYR A 88 -3.322 3.743 -11.009 1.00 0.00 C ATOM 1229 CD1 TYR A 88 -3.981 4.165 -9.872 1.00 0.00 C ATOM 1230 CD2 TYR A 88 -3.210 4.586 -12.094 1.00 0.00 C ATOM 1231 CE1 TYR A 88 -4.552 5.486 -9.820 1.00 0.00 C ATOM 1232 CE2 TYR A 88 -3.781 5.907 -12.042 1.00 0.00 C ATOM 1233 CZ TYR A 88 -4.424 6.292 -10.907 1.00 0.00 C ATOM 1234 OH TYR A 88 -4.963 7.540 -10.858 1.00 0.00 O ATOM 0 H TYR A 88 -0.330 2.358 -11.964 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.528 2.693 -9.255 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.473 2.099 -12.098 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -3.464 1.618 -10.735 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.068 3.505 -9.022 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.694 4.256 -12.983 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -5.071 5.829 -8.937 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -3.700 6.577 -12.885 1.00 0.00 H new ATOM 0 HH TYR A 88 -4.793 8.003 -11.705 1.00 0.00 H new ATOM 1243 N PHE A 89 -2.192 0.132 -9.153 1.00 0.00 N ATOM 1244 CA PHE A 89 -2.128 -1.274 -8.789 1.00 0.00 C ATOM 1245 C PHE A 89 -3.500 -1.791 -8.355 1.00 0.00 C ATOM 1246 O PHE A 89 -4.351 -1.016 -7.922 1.00 0.00 O ATOM 1247 CB PHE A 89 -1.157 -1.387 -7.612 1.00 0.00 C ATOM 1248 CG PHE A 89 0.192 -0.705 -7.849 1.00 0.00 C ATOM 1249 CD1 PHE A 89 1.178 -1.361 -8.516 1.00 0.00 C ATOM 1250 CD2 PHE A 89 0.404 0.558 -7.393 1.00 0.00 C ATOM 1251 CE1 PHE A 89 2.430 -0.728 -8.736 1.00 0.00 C ATOM 1252 CE2 PHE A 89 1.655 1.193 -7.612 1.00 0.00 C ATOM 1253 CZ PHE A 89 2.642 0.536 -8.280 1.00 0.00 C ATOM 0 H PHE A 89 -2.999 0.633 -8.782 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.801 -1.866 -9.644 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.622 -0.951 -6.728 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.986 -2.442 -7.395 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.009 -2.364 -8.879 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -0.380 1.079 -6.864 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.214 -1.250 -9.265 1.00 0.00 H new ATOM 0 HE2 PHE A 89 1.823 2.196 -7.249 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.594 1.018 -8.448 1.00 0.00 H new ATOM 1262 N ARG A 90 -3.674 -3.098 -8.486 1.00 0.00 N ATOM 1263 CA ARG A 90 -4.929 -3.728 -8.113 1.00 0.00 C ATOM 1264 C ARG A 90 -4.709 -5.212 -7.812 1.00 0.00 C ATOM 1265 O ARG A 90 -4.172 -5.943 -8.642 1.00 0.00 O ATOM 1266 CB ARG A 90 -5.969 -3.588 -9.227 1.00 0.00 C ATOM 1267 CG ARG A 90 -6.540 -2.170 -9.268 1.00 0.00 C ATOM 1268 CD ARG A 90 -7.857 -2.132 -10.047 1.00 0.00 C ATOM 1269 NE ARG A 90 -7.628 -2.545 -11.449 1.00 0.00 N ATOM 1270 CZ ARG A 90 -8.553 -2.470 -12.416 1.00 0.00 C ATOM 1271 NH1 ARG A 90 -9.775 -1.997 -12.137 1.00 0.00 N ATOM 1272 NH2 ARG A 90 -8.256 -2.867 -13.660 1.00 0.00 N ATOM 0 H ARG A 90 -2.966 -3.738 -8.846 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.300 -3.224 -7.221 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -5.513 -3.828 -10.187 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.775 -4.304 -9.069 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.704 -1.810 -8.252 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -5.819 -1.497 -9.732 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -8.585 -2.794 -9.579 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -8.276 -1.126 -10.019 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.708 -2.910 -11.695 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -10.001 -1.694 -11.189 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -10.480 -1.939 -12.872 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.325 -3.227 -13.872 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.960 -2.810 -14.395 1.00 0.00 H new ATOM 1283 N VAL A 91 -5.136 -5.612 -6.624 1.00 0.00 N ATOM 1284 CA VAL A 91 -4.994 -6.995 -6.203 1.00 0.00 C ATOM 1285 C VAL A 91 -6.338 -7.711 -6.353 1.00 0.00 C ATOM 1286 O VAL A 91 -7.362 -7.220 -5.880 1.00 0.00 O ATOM 1287 CB VAL A 91 -4.440 -7.056 -4.779 1.00 0.00 C ATOM 1288 CG1 VAL A 91 -4.387 -8.498 -4.271 1.00 0.00 C ATOM 1289 CG2 VAL A 91 -3.061 -6.395 -4.698 1.00 0.00 C ATOM 0 H VAL A 91 -5.581 -5.002 -5.939 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.276 -7.514 -6.838 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.118 -6.499 -4.133 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.989 -8.512 -3.256 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.391 -8.922 -4.273 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.743 -9.089 -4.921 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.690 -6.452 -3.675 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.370 -6.912 -5.364 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.140 -5.350 -4.997 1.00 0.00 H new ATOM 1299 N PHE A 92 -6.291 -8.859 -7.013 1.00 0.00 N ATOM 1300 CA PHE A 92 -7.492 -9.647 -7.230 1.00 0.00 C ATOM 1301 C PHE A 92 -7.395 -11.001 -6.525 1.00 0.00 C ATOM 1302 O PHE A 92 -6.411 -11.721 -6.690 1.00 0.00 O ATOM 1303 CB PHE A 92 -7.610 -9.877 -8.738 1.00 0.00 C ATOM 1304 CG PHE A 92 -7.525 -8.597 -9.572 1.00 0.00 C ATOM 1305 CD1 PHE A 92 -6.335 -7.955 -9.714 1.00 0.00 C ATOM 1306 CD2 PHE A 92 -8.641 -8.101 -10.171 1.00 0.00 C ATOM 1307 CE1 PHE A 92 -6.257 -6.766 -10.487 1.00 0.00 C ATOM 1308 CE2 PHE A 92 -8.564 -6.913 -10.944 1.00 0.00 C ATOM 1309 CZ PHE A 92 -7.373 -6.271 -11.087 1.00 0.00 C ATOM 0 H PHE A 92 -5.440 -9.262 -7.405 1.00 0.00 H new ATOM 0 HA PHE A 92 -8.359 -9.121 -6.830 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -6.819 -10.557 -9.054 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -8.559 -10.372 -8.946 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -5.449 -8.349 -9.239 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -9.586 -8.611 -10.058 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -5.312 -6.255 -10.598 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -9.451 -6.519 -11.418 1.00 0.00 H new ATOM 0 HZ PHE A 92 -7.314 -5.368 -11.677 1.00 0.00 H new ATOM 1318 N SER A 93 -8.428 -11.307 -5.756 1.00 0.00 N ATOM 1319 CA SER A 93 -8.472 -12.563 -5.025 1.00 0.00 C ATOM 1320 C SER A 93 -8.625 -13.731 -6.001 1.00 0.00 C ATOM 1321 O SER A 93 -9.232 -13.583 -7.061 1.00 0.00 O ATOM 1322 CB SER A 93 -9.614 -12.569 -4.007 1.00 0.00 C ATOM 1323 OG SER A 93 -9.534 -11.465 -3.109 1.00 0.00 O ATOM 0 H SER A 93 -9.242 -10.707 -5.622 1.00 0.00 H new ATOM 0 HA SER A 93 -7.535 -12.674 -4.479 1.00 0.00 H new ATOM 0 HB2 SER A 93 -10.568 -12.540 -4.533 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.590 -13.500 -3.440 1.00 0.00 H new ATOM 0 HG SER A 93 -10.415 -11.044 -3.028 1.00 0.00 H new ATOM 1328 N GLU A 94 -8.066 -14.866 -5.608 1.00 0.00 N ATOM 1329 CA GLU A 94 -8.133 -16.059 -6.435 1.00 0.00 C ATOM 1330 C GLU A 94 -8.608 -17.253 -5.606 1.00 0.00 C ATOM 1331 O GLU A 94 -8.616 -17.197 -4.377 1.00 0.00 O ATOM 1332 CB GLU A 94 -6.780 -16.349 -7.090 1.00 0.00 C ATOM 1333 CG GLU A 94 -6.803 -15.991 -8.576 1.00 0.00 C ATOM 1334 CD GLU A 94 -6.933 -17.247 -9.441 1.00 0.00 C ATOM 1335 OE1 GLU A 94 -6.427 -18.299 -8.993 1.00 0.00 O ATOM 1336 OE2 GLU A 94 -7.537 -17.127 -10.529 1.00 0.00 O ATOM 0 H GLU A 94 -7.565 -14.985 -4.728 1.00 0.00 H new ATOM 0 HA GLU A 94 -8.856 -15.885 -7.232 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -5.999 -15.779 -6.587 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -6.532 -17.404 -6.970 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -7.636 -15.318 -8.779 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -5.890 -15.457 -8.839 1.00 0.00 H new ATOM 1341 N ASN A 95 -8.993 -18.307 -6.311 1.00 0.00 N ATOM 1342 CA ASN A 95 -9.468 -19.513 -5.655 1.00 0.00 C ATOM 1343 C ASN A 95 -9.359 -20.693 -6.624 1.00 0.00 C ATOM 1344 O ASN A 95 -8.564 -21.606 -6.410 1.00 0.00 O ATOM 1345 CB ASN A 95 -10.935 -19.375 -5.242 1.00 0.00 C ATOM 1346 CG ASN A 95 -11.647 -18.323 -6.094 1.00 0.00 C ATOM 1347 OD1 ASN A 95 -11.307 -17.151 -6.093 1.00 0.00 O ATOM 1348 ND2 ASN A 95 -12.652 -18.804 -6.821 1.00 0.00 N ATOM 0 H ASN A 95 -8.986 -18.350 -7.330 1.00 0.00 H new ATOM 0 HA ASN A 95 -8.857 -19.676 -4.767 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -11.438 -20.336 -5.348 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -10.996 -19.098 -4.190 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -13.190 -18.181 -7.424 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -12.885 -19.796 -6.776 1.00 0.00 H new ATOM 1354 N MET A 96 -10.172 -20.635 -7.669 1.00 0.00 N ATOM 1355 CA MET A 96 -10.177 -21.686 -8.673 1.00 0.00 C ATOM 1356 C MET A 96 -11.055 -21.301 -9.865 1.00 0.00 C ATOM 1357 O MET A 96 -10.711 -21.588 -11.012 1.00 0.00 O ATOM 1358 CB MET A 96 -10.700 -22.982 -8.051 1.00 0.00 C ATOM 1359 CG MET A 96 -11.875 -22.704 -7.110 1.00 0.00 C ATOM 1360 SD MET A 96 -13.282 -23.694 -7.583 1.00 0.00 S ATOM 1361 CE MET A 96 -12.798 -25.269 -6.895 1.00 0.00 C ATOM 0 H MET A 96 -10.832 -19.877 -7.842 1.00 0.00 H new ATOM 0 HA MET A 96 -9.157 -21.829 -9.029 1.00 0.00 H new ATOM 0 HB2 MET A 96 -11.015 -23.667 -8.839 1.00 0.00 H new ATOM 0 HB3 MET A 96 -9.898 -23.475 -7.501 1.00 0.00 H new ATOM 0 HG2 MET A 96 -11.590 -22.930 -6.082 1.00 0.00 H new ATOM 0 HG3 MET A 96 -12.136 -21.646 -7.143 1.00 0.00 H new ATOM 0 HE1 MET A 96 -13.571 -26.009 -7.101 1.00 0.00 H new ATOM 0 HE2 MET A 96 -11.859 -25.590 -7.346 1.00 0.00 H new ATOM 0 HE3 MET A 96 -12.668 -25.171 -5.817 1.00 0.00 H new ATOM 1369 N CYS A 97 -12.170 -20.658 -9.556 1.00 0.00 N ATOM 1370 CA CYS A 97 -13.100 -20.232 -10.587 1.00 0.00 C ATOM 1371 C CYS A 97 -12.361 -19.292 -11.541 1.00 0.00 C ATOM 1372 O CYS A 97 -12.342 -19.516 -12.750 1.00 0.00 O ATOM 1373 CB CYS A 97 -14.346 -19.575 -9.990 1.00 0.00 C ATOM 1374 SG CYS A 97 -15.439 -20.852 -9.263 1.00 0.00 S ATOM 0 H CYS A 97 -12.451 -20.421 -8.605 1.00 0.00 H new ATOM 0 HA CYS A 97 -13.458 -21.101 -11.139 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -14.056 -18.854 -9.225 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -14.882 -19.023 -10.762 1.00 0.00 H new ATOM 0 HG CYS A 97 -14.715 -21.782 -8.715 1.00 0.00 H new ATOM 1379 N GLY A 98 -11.769 -18.257 -10.960 1.00 0.00 N ATOM 1380 CA GLY A 98 -11.030 -17.282 -11.743 1.00 0.00 C ATOM 1381 C GLY A 98 -10.603 -16.095 -10.877 1.00 0.00 C ATOM 1382 O GLY A 98 -10.231 -16.269 -9.718 1.00 0.00 O ATOM 0 H GLY A 98 -11.787 -18.074 -9.957 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.150 -17.753 -12.180 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.647 -16.930 -12.570 1.00 0.00 H new ATOM 1386 N LEU A 99 -10.670 -14.913 -11.474 1.00 0.00 N ATOM 1387 CA LEU A 99 -10.295 -13.698 -10.772 1.00 0.00 C ATOM 1388 C LEU A 99 -11.532 -13.101 -10.097 1.00 0.00 C ATOM 1389 O LEU A 99 -12.648 -13.567 -10.317 1.00 0.00 O ATOM 1390 CB LEU A 99 -9.584 -12.729 -11.720 1.00 0.00 C ATOM 1391 CG LEU A 99 -8.123 -13.054 -12.038 1.00 0.00 C ATOM 1392 CD1 LEU A 99 -7.264 -13.011 -10.772 1.00 0.00 C ATOM 1393 CD2 LEU A 99 -8.004 -14.394 -12.766 1.00 0.00 C ATOM 0 H LEU A 99 -10.978 -14.772 -12.436 1.00 0.00 H new ATOM 0 HA LEU A 99 -9.577 -13.921 -9.983 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -10.140 -12.694 -12.657 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -9.627 -11.730 -11.286 1.00 0.00 H new ATOM 0 HG LEU A 99 -7.742 -12.287 -12.713 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -6.230 -13.246 -11.026 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -7.313 -12.015 -10.333 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -7.636 -13.742 -10.055 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -6.955 -14.600 -12.980 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -8.409 -15.187 -12.137 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -8.563 -14.351 -13.701 1.00 0.00 H new ATOM 1404 N SER A 100 -11.290 -12.078 -9.290 1.00 0.00 N ATOM 1405 CA SER A 100 -12.371 -11.414 -8.581 1.00 0.00 C ATOM 1406 C SER A 100 -13.080 -10.429 -9.513 1.00 0.00 C ATOM 1407 O SER A 100 -12.431 -9.625 -10.181 1.00 0.00 O ATOM 1408 CB SER A 100 -11.850 -10.688 -7.339 1.00 0.00 C ATOM 1409 OG SER A 100 -10.670 -9.938 -7.615 1.00 0.00 O ATOM 0 H SER A 100 -10.362 -11.693 -9.112 1.00 0.00 H new ATOM 0 HA SER A 100 -13.083 -12.172 -8.254 1.00 0.00 H new ATOM 0 HB2 SER A 100 -12.623 -10.021 -6.958 1.00 0.00 H new ATOM 0 HB3 SER A 100 -11.642 -11.415 -6.554 1.00 0.00 H new ATOM 0 HG SER A 100 -10.877 -8.980 -7.586 1.00 0.00 H new ATOM 1414 N GLU A 101 -14.401 -10.525 -9.529 1.00 0.00 N ATOM 1415 CA GLU A 101 -15.204 -9.653 -10.369 1.00 0.00 C ATOM 1416 C GLU A 101 -14.766 -8.197 -10.196 1.00 0.00 C ATOM 1417 O GLU A 101 -14.665 -7.455 -11.171 1.00 0.00 O ATOM 1418 CB GLU A 101 -16.694 -9.817 -10.062 1.00 0.00 C ATOM 1419 CG GLU A 101 -17.472 -10.217 -11.317 1.00 0.00 C ATOM 1420 CD GLU A 101 -18.526 -9.164 -11.668 1.00 0.00 C ATOM 1421 OE1 GLU A 101 -19.564 -9.146 -10.972 1.00 0.00 O ATOM 1422 OE2 GLU A 101 -18.269 -8.401 -12.625 1.00 0.00 O ATOM 0 H GLU A 101 -14.935 -11.193 -8.974 1.00 0.00 H new ATOM 0 HA GLU A 101 -15.047 -9.938 -11.409 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -16.829 -10.574 -9.290 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -17.092 -8.883 -9.665 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -16.783 -10.340 -12.153 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -17.955 -11.181 -11.158 1.00 0.00 H new ATOM 1427 N ASP A 102 -14.518 -7.833 -8.946 1.00 0.00 N ATOM 1428 CA ASP A 102 -14.093 -6.480 -8.633 1.00 0.00 C ATOM 1429 C ASP A 102 -12.739 -6.526 -7.920 1.00 0.00 C ATOM 1430 O ASP A 102 -12.413 -7.514 -7.264 1.00 0.00 O ATOM 1431 CB ASP A 102 -15.091 -5.790 -7.702 1.00 0.00 C ATOM 1432 CG ASP A 102 -15.860 -6.727 -6.768 1.00 0.00 C ATOM 1433 OD1 ASP A 102 -15.291 -7.791 -6.438 1.00 0.00 O ATOM 1434 OD2 ASP A 102 -16.998 -6.360 -6.405 1.00 0.00 O ATOM 0 H ASP A 102 -14.603 -8.451 -8.139 1.00 0.00 H new ATOM 0 HA ASP A 102 -14.027 -5.924 -9.568 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -14.555 -5.059 -7.097 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -15.808 -5.237 -8.309 1.00 0.00 H new ATOM 1438 N ALA A 103 -11.987 -5.447 -8.075 1.00 0.00 N ATOM 1439 CA ALA A 103 -10.675 -5.353 -7.456 1.00 0.00 C ATOM 1440 C ALA A 103 -10.570 -4.029 -6.695 1.00 0.00 C ATOM 1441 O ALA A 103 -11.134 -3.021 -7.115 1.00 0.00 O ATOM 1442 CB ALA A 103 -9.593 -5.497 -8.528 1.00 0.00 C ATOM 0 H ALA A 103 -12.261 -4.630 -8.620 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.530 -6.160 -6.737 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.609 -5.426 -8.064 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -9.694 -6.465 -9.019 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.704 -4.702 -9.266 1.00 0.00 H new ATOM 1448 N THR A 104 -9.843 -4.078 -5.588 1.00 0.00 N ATOM 1449 CA THR A 104 -9.656 -2.895 -4.764 1.00 0.00 C ATOM 1450 C THR A 104 -8.342 -2.197 -5.123 1.00 0.00 C ATOM 1451 O THR A 104 -7.264 -2.684 -4.784 1.00 0.00 O ATOM 1452 CB THR A 104 -9.736 -3.323 -3.298 1.00 0.00 C ATOM 1453 OG1 THR A 104 -11.082 -3.762 -3.137 1.00 0.00 O ATOM 1454 CG2 THR A 104 -9.611 -2.141 -2.335 1.00 0.00 C ATOM 0 H THR A 104 -9.377 -4.917 -5.243 1.00 0.00 H new ATOM 0 HA THR A 104 -10.439 -2.158 -4.946 1.00 0.00 H new ATOM 0 HB THR A 104 -8.948 -4.046 -3.088 1.00 0.00 H new ATOM 0 HG1 THR A 104 -11.221 -4.059 -2.214 1.00 0.00 H new ATOM 0 HG21 THR A 104 -9.674 -2.500 -1.308 1.00 0.00 H new ATOM 0 HG22 THR A 104 -8.652 -1.647 -2.488 1.00 0.00 H new ATOM 0 HG23 THR A 104 -10.418 -1.432 -2.522 1.00 0.00 H new ATOM 1462 N MET A 105 -8.475 -1.069 -5.804 1.00 0.00 N ATOM 1463 CA MET A 105 -7.312 -0.300 -6.213 1.00 0.00 C ATOM 1464 C MET A 105 -6.910 0.703 -5.130 1.00 0.00 C ATOM 1465 O MET A 105 -7.766 1.234 -4.423 1.00 0.00 O ATOM 1466 CB MET A 105 -7.623 0.447 -7.511 1.00 0.00 C ATOM 1467 CG MET A 105 -6.364 1.096 -8.087 1.00 0.00 C ATOM 1468 SD MET A 105 -6.741 2.731 -8.693 1.00 0.00 S ATOM 1469 CE MET A 105 -6.506 2.475 -10.443 1.00 0.00 C ATOM 0 H MET A 105 -9.371 -0.669 -6.083 1.00 0.00 H new ATOM 0 HA MET A 105 -6.482 -0.989 -6.371 1.00 0.00 H new ATOM 0 HB2 MET A 105 -8.046 -0.244 -8.240 1.00 0.00 H new ATOM 0 HB3 MET A 105 -8.377 1.212 -7.323 1.00 0.00 H new ATOM 0 HG2 MET A 105 -5.591 1.153 -7.320 1.00 0.00 H new ATOM 0 HG3 MET A 105 -5.966 0.483 -8.895 1.00 0.00 H new ATOM 0 HE1 MET A 105 -6.456 3.439 -10.948 1.00 0.00 H new ATOM 0 HE2 MET A 105 -5.577 1.929 -10.609 1.00 0.00 H new ATOM 0 HE3 MET A 105 -7.341 1.899 -10.842 1.00 0.00 H new ATOM 1477 N THR A 106 -5.609 0.934 -5.035 1.00 0.00 N ATOM 1478 CA THR A 106 -5.083 1.864 -4.050 1.00 0.00 C ATOM 1479 C THR A 106 -5.797 3.212 -4.157 1.00 0.00 C ATOM 1480 O THR A 106 -5.823 3.823 -5.225 1.00 0.00 O ATOM 1481 CB THR A 106 -3.570 1.960 -4.251 1.00 0.00 C ATOM 1482 OG1 THR A 106 -3.423 2.293 -5.629 1.00 0.00 O ATOM 1483 CG2 THR A 106 -2.874 0.604 -4.118 1.00 0.00 C ATOM 0 H THR A 106 -4.903 0.493 -5.624 1.00 0.00 H new ATOM 0 HA THR A 106 -5.268 1.513 -3.035 1.00 0.00 H new ATOM 0 HB THR A 106 -3.151 2.655 -3.524 1.00 0.00 H new ATOM 0 HG1 THR A 106 -3.005 3.176 -5.709 1.00 0.00 H new ATOM 0 HG21 THR A 106 -1.802 0.729 -4.270 1.00 0.00 H new ATOM 0 HG22 THR A 106 -3.055 0.198 -3.123 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.269 -0.083 -4.867 1.00 0.00 H new ATOM 1491 N LYS A 107 -6.360 3.639 -3.035 1.00 0.00 N ATOM 1492 CA LYS A 107 -7.073 4.904 -2.989 1.00 0.00 C ATOM 1493 C LYS A 107 -6.301 5.948 -3.799 1.00 0.00 C ATOM 1494 O LYS A 107 -6.897 6.867 -4.361 1.00 0.00 O ATOM 1495 CB LYS A 107 -7.334 5.320 -1.540 1.00 0.00 C ATOM 1496 CG LYS A 107 -8.834 5.369 -1.246 1.00 0.00 C ATOM 1497 CD LYS A 107 -9.361 6.803 -1.320 1.00 0.00 C ATOM 1498 CE LYS A 107 -10.503 7.021 -0.326 1.00 0.00 C ATOM 1499 NZ LYS A 107 -11.480 7.993 -0.863 1.00 0.00 N ATOM 0 H LYS A 107 -6.336 3.131 -2.151 1.00 0.00 H new ATOM 0 HA LYS A 107 -8.056 4.805 -3.449 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -6.850 4.616 -0.863 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -6.891 6.298 -1.353 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -9.369 4.744 -1.961 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -9.028 4.957 -0.255 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -8.552 7.502 -1.109 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -9.709 7.014 -2.331 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -11.000 6.073 -0.121 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -10.104 7.383 0.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -12.248 8.129 -0.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -11.006 8.902 -1.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -11.874 7.632 -1.755 1.00 0.00 H new ATOM 1509 N GLU A 108 -4.989 5.773 -3.833 1.00 0.00 N ATOM 1510 CA GLU A 108 -4.130 6.689 -4.565 1.00 0.00 C ATOM 1511 C GLU A 108 -3.010 5.919 -5.269 1.00 0.00 C ATOM 1512 O GLU A 108 -2.752 4.761 -4.946 1.00 0.00 O ATOM 1513 CB GLU A 108 -3.559 7.764 -3.639 1.00 0.00 C ATOM 1514 CG GLU A 108 -4.651 8.736 -3.186 1.00 0.00 C ATOM 1515 CD GLU A 108 -4.331 9.316 -1.807 1.00 0.00 C ATOM 1516 OE1 GLU A 108 -4.549 8.581 -0.818 1.00 0.00 O ATOM 1517 OE2 GLU A 108 -3.879 10.480 -1.772 1.00 0.00 O ATOM 0 H GLU A 108 -4.499 5.010 -3.365 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.730 7.192 -5.323 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -3.102 7.293 -2.768 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.771 8.312 -4.155 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -4.747 9.544 -3.911 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -5.611 8.221 -3.154 1.00 0.00 H new ATOM 1522 N SER A 109 -2.376 6.594 -6.217 1.00 0.00 N ATOM 1523 CA SER A 109 -1.290 5.989 -6.968 1.00 0.00 C ATOM 1524 C SER A 109 0.027 6.149 -6.206 1.00 0.00 C ATOM 1525 O SER A 109 0.078 6.834 -5.185 1.00 0.00 O ATOM 1526 CB SER A 109 -1.175 6.605 -8.363 1.00 0.00 C ATOM 1527 OG SER A 109 -0.929 8.007 -8.309 1.00 0.00 O ATOM 0 H SER A 109 -2.594 7.555 -6.482 1.00 0.00 H new ATOM 0 HA SER A 109 -1.506 4.927 -7.086 1.00 0.00 H new ATOM 0 HB2 SER A 109 -0.369 6.116 -8.910 1.00 0.00 H new ATOM 0 HB3 SER A 109 -2.095 6.419 -8.918 1.00 0.00 H new ATOM 0 HG SER A 109 -0.860 8.362 -9.220 1.00 0.00 H new ATOM 1532 N ALA A 110 1.060 5.508 -6.732 1.00 0.00 N ATOM 1533 CA ALA A 110 2.374 5.572 -6.114 1.00 0.00 C ATOM 1534 C ALA A 110 3.286 6.466 -6.958 1.00 0.00 C ATOM 1535 O ALA A 110 3.574 6.152 -8.111 1.00 0.00 O ATOM 1536 CB ALA A 110 2.931 4.157 -5.953 1.00 0.00 C ATOM 0 H ALA A 110 1.014 4.942 -7.579 1.00 0.00 H new ATOM 0 HA ALA A 110 2.310 6.012 -5.119 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.916 4.204 -5.490 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.261 3.572 -5.323 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.013 3.685 -6.932 1.00 0.00 H new ATOM 1542 N VAL A 111 3.716 7.561 -6.349 1.00 0.00 N ATOM 1543 CA VAL A 111 4.589 8.502 -7.030 1.00 0.00 C ATOM 1544 C VAL A 111 6.044 8.067 -6.842 1.00 0.00 C ATOM 1545 O VAL A 111 6.544 8.026 -5.719 1.00 0.00 O ATOM 1546 CB VAL A 111 4.320 9.922 -6.529 1.00 0.00 C ATOM 1547 CG1 VAL A 111 5.424 10.881 -6.979 1.00 0.00 C ATOM 1548 CG2 VAL A 111 2.946 10.413 -6.986 1.00 0.00 C ATOM 0 H VAL A 111 3.476 7.818 -5.391 1.00 0.00 H new ATOM 0 HA VAL A 111 4.386 8.506 -8.101 1.00 0.00 H new ATOM 0 HB VAL A 111 4.321 9.899 -5.439 1.00 0.00 H new ATOM 0 HG11 VAL A 111 5.208 11.883 -6.609 1.00 0.00 H new ATOM 0 HG12 VAL A 111 6.382 10.546 -6.581 1.00 0.00 H new ATOM 0 HG13 VAL A 111 5.470 10.898 -8.068 1.00 0.00 H new ATOM 0 HG21 VAL A 111 2.780 11.425 -6.616 1.00 0.00 H new ATOM 0 HG22 VAL A 111 2.903 10.413 -8.075 1.00 0.00 H new ATOM 0 HG23 VAL A 111 2.174 9.752 -6.593 1.00 0.00 H new ATOM 1558 N ILE A 112 6.683 7.753 -7.959 1.00 0.00 N ATOM 1559 CA ILE A 112 8.071 7.322 -7.932 1.00 0.00 C ATOM 1560 C ILE A 112 8.963 8.518 -7.592 1.00 0.00 C ATOM 1561 O ILE A 112 8.683 9.644 -8.002 1.00 0.00 O ATOM 1562 CB ILE A 112 8.443 6.630 -9.244 1.00 0.00 C ATOM 1563 CG1 ILE A 112 7.407 5.566 -9.615 1.00 0.00 C ATOM 1564 CG2 ILE A 112 9.858 6.053 -9.178 1.00 0.00 C ATOM 1565 CD1 ILE A 112 7.299 4.502 -8.521 1.00 0.00 C ATOM 0 H ILE A 112 6.265 7.788 -8.889 1.00 0.00 H new ATOM 0 HA ILE A 112 8.224 6.576 -7.152 1.00 0.00 H new ATOM 0 HB ILE A 112 8.437 7.377 -10.038 1.00 0.00 H new ATOM 0 HG12 ILE A 112 6.436 6.036 -9.767 1.00 0.00 H new ATOM 0 HG13 ILE A 112 7.685 5.096 -10.558 1.00 0.00 H new ATOM 0 HG21 ILE A 112 10.097 5.567 -10.124 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.570 6.857 -8.993 1.00 0.00 H new ATOM 0 HG23 ILE A 112 9.916 5.324 -8.370 1.00 0.00 H new ATOM 0 HD11 ILE A 112 6.556 3.758 -8.809 1.00 0.00 H new ATOM 0 HD12 ILE A 112 8.266 4.017 -8.388 1.00 0.00 H new ATOM 0 HD13 ILE A 112 6.997 4.972 -7.585 1.00 0.00 H new ATOM 1576 N ALA A 113 10.022 8.233 -6.848 1.00 0.00 N ATOM 1577 CA ALA A 113 10.958 9.269 -6.450 1.00 0.00 C ATOM 1578 C ALA A 113 12.122 8.634 -5.686 1.00 0.00 C ATOM 1579 O ALA A 113 11.965 7.577 -5.076 1.00 0.00 O ATOM 1580 CB ALA A 113 10.226 10.328 -5.622 1.00 0.00 C ATOM 0 H ALA A 113 10.252 7.298 -6.511 1.00 0.00 H new ATOM 0 HA ALA A 113 11.372 9.768 -7.326 1.00 0.00 H new ATOM 0 HB1 ALA A 113 10.929 11.106 -5.323 1.00 0.00 H new ATOM 0 HB2 ALA A 113 9.428 10.770 -6.219 1.00 0.00 H new ATOM 0 HB3 ALA A 113 9.799 9.864 -4.733 1.00 0.00 H new