USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 728 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 57 GLN : amide:sc= 0.862 K(o=1.8,f=-2.8) USER MOD Set 1.2: A 79 SER OG : rot -77:sc= 0.964 USER MOD Single : A 20 GLN : amide:sc= -0.0144 X(o=-0.014,f=-0.0039) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.459 K(o=-0.46,f=-1.5) USER MOD Single : A 46 THR OG1 : rot -160:sc= -4.9! USER MOD Single : A 47 GLN : amide:sc= -0.337 K(o=-0.34,f=-2.6!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 CYS SG : rot -30:sc= -6.42! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0.405 K(o=0.4,f=-4.1!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.469 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -4.24 K(o=-4.2,f=-9.4!) USER MOD Single : A 77 ASN : amide:sc= 0.00771 X(o=0.0077,f=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.0578 X(o=-0.058,f=-0.53) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= -0.157 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -5.06! C(o=-5.1!,f=-6.1!) USER MOD Single : A 107 TYR OH : rot 130:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc=-0.00457 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 203 N LEU A 17 -5.142 -6.318 -2.325 1.00 0.00 N ATOM 204 CA LEU A 17 -3.916 -5.569 -2.105 1.00 0.00 C ATOM 205 C LEU A 17 -3.924 -4.991 -0.688 1.00 0.00 C ATOM 206 O LEU A 17 -4.973 -4.597 -0.180 1.00 0.00 O ATOM 207 CB LEU A 17 -3.729 -4.515 -3.198 1.00 0.00 C ATOM 208 CG LEU A 17 -3.407 -5.047 -4.595 1.00 0.00 C ATOM 209 CD1 LEU A 17 -4.059 -4.182 -5.675 1.00 0.00 C ATOM 210 CD2 LEU A 17 -1.896 -5.176 -4.798 1.00 0.00 C ATOM 0 HA LEU A 17 -3.050 -6.226 -2.177 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.639 -3.918 -3.259 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.927 -3.843 -2.893 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.830 -6.047 -4.685 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.814 -4.582 -6.659 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.141 -4.186 -5.541 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.687 -3.160 -5.596 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.695 -5.556 -5.799 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.428 -4.199 -4.680 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.487 -5.865 -4.059 1.00 0.00 H new ATOM 222 N TRP A 18 -2.743 -4.959 -0.090 1.00 0.00 N ATOM 223 CA TRP A 18 -2.600 -4.437 1.259 1.00 0.00 C ATOM 224 C TRP A 18 -1.115 -4.163 1.505 1.00 0.00 C ATOM 225 O TRP A 18 -0.259 -4.657 0.773 1.00 0.00 O ATOM 226 CB TRP A 18 -3.211 -5.393 2.285 1.00 0.00 C ATOM 227 CG TRP A 18 -2.783 -6.851 2.108 1.00 0.00 C ATOM 228 CD1 TRP A 18 -3.368 -7.799 1.363 1.00 0.00 C ATOM 229 CD2 TRP A 18 -1.646 -7.494 2.723 1.00 0.00 C ATOM 230 NE1 TRP A 18 -2.695 -9.000 1.452 1.00 0.00 N ATOM 231 CE2 TRP A 18 -1.614 -8.809 2.305 1.00 0.00 C ATOM 232 CE3 TRP A 18 -0.677 -6.981 3.603 1.00 0.00 C ATOM 233 CZ2 TRP A 18 -0.634 -9.720 2.716 1.00 0.00 C ATOM 234 CZ3 TRP A 18 0.296 -7.904 4.004 1.00 0.00 C ATOM 235 CH2 TRP A 18 0.342 -9.231 3.593 1.00 0.00 C ATOM 0 H TRP A 18 -1.875 -5.286 -0.515 1.00 0.00 H new ATOM 0 HA TRP A 18 -3.149 -3.502 1.371 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.933 -5.062 3.286 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -4.297 -5.333 2.220 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.255 -7.642 0.767 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.945 -9.868 0.979 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -0.683 -5.956 3.943 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.631 -10.745 2.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.065 -7.561 4.680 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.127 -9.882 3.948 1.00 0.00 H new ATOM 246 N LEU A 19 -0.855 -3.378 2.540 1.00 0.00 N ATOM 247 CA LEU A 19 0.512 -3.033 2.893 1.00 0.00 C ATOM 248 C LEU A 19 0.936 -3.839 4.122 1.00 0.00 C ATOM 249 O LEU A 19 0.117 -4.122 4.995 1.00 0.00 O ATOM 250 CB LEU A 19 0.654 -1.520 3.070 1.00 0.00 C ATOM 251 CG LEU A 19 -0.016 -0.654 2.002 1.00 0.00 C ATOM 252 CD1 LEU A 19 0.172 -1.258 0.609 1.00 0.00 C ATOM 253 CD2 LEU A 19 -1.491 -0.421 2.331 1.00 0.00 C ATOM 0 H LEU A 19 -1.568 -2.971 3.146 1.00 0.00 H new ATOM 0 HA LEU A 19 1.193 -3.301 2.086 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.242 -1.248 4.042 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.716 -1.275 3.094 1.00 0.00 H new ATOM 0 HG LEU A 19 0.471 0.321 1.999 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.314 -0.623 -0.132 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.236 -1.329 0.384 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.272 -2.253 0.581 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.943 0.198 1.556 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.009 -1.379 2.379 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.574 0.085 3.293 1.00 0.00 H new ATOM 265 N GLN A 20 2.214 -4.186 4.151 1.00 0.00 N ATOM 266 CA GLN A 20 2.756 -4.953 5.260 1.00 0.00 C ATOM 267 C GLN A 20 3.722 -4.094 6.078 1.00 0.00 C ATOM 268 O GLN A 20 4.907 -4.012 5.761 1.00 0.00 O ATOM 269 CB GLN A 20 3.443 -6.226 4.761 1.00 0.00 C ATOM 270 CG GLN A 20 3.765 -7.167 5.923 1.00 0.00 C ATOM 271 CD GLN A 20 4.692 -8.298 5.473 1.00 0.00 C ATOM 272 OE1 GLN A 20 5.793 -8.080 4.996 1.00 0.00 O ATOM 273 NE2 GLN A 20 4.185 -9.515 5.650 1.00 0.00 N ATOM 0 H GLN A 20 2.890 -3.950 3.425 1.00 0.00 H new ATOM 0 HA GLN A 20 1.931 -5.253 5.906 1.00 0.00 H new ATOM 0 HB2 GLN A 20 2.798 -6.735 4.045 1.00 0.00 H new ATOM 0 HB3 GLN A 20 4.361 -5.965 4.234 1.00 0.00 H new ATOM 0 HG2 GLN A 20 4.236 -6.606 6.730 1.00 0.00 H new ATOM 0 HG3 GLN A 20 2.842 -7.586 6.323 1.00 0.00 H new ATOM 0 HE21 GLN A 20 3.256 -9.626 6.055 1.00 0.00 H new ATOM 0 HE22 GLN A 20 4.726 -10.337 5.380 1.00 0.00 H new ATOM 349 N PRO A 27 -2.382 -3.409 12.121 1.00 0.00 N ATOM 350 CA PRO A 27 -2.840 -4.504 11.283 1.00 0.00 C ATOM 351 C PRO A 27 -2.654 -4.175 9.801 1.00 0.00 C ATOM 352 O PRO A 27 -2.298 -3.051 9.451 1.00 0.00 O ATOM 353 CB PRO A 27 -4.295 -4.712 11.668 1.00 0.00 C ATOM 354 CG PRO A 27 -4.729 -3.433 12.365 1.00 0.00 C ATOM 355 CD PRO A 27 -3.478 -2.638 12.701 1.00 0.00 C ATOM 0 HA PRO A 27 -2.267 -5.419 11.436 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -4.908 -4.904 10.788 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -4.405 -5.573 12.327 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.389 -2.852 11.721 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.290 -3.663 13.271 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.522 -1.634 12.280 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -3.357 -2.527 13.779 1.00 0.00 H new ATOM 363 N PRO A 28 -2.910 -5.203 8.948 1.00 0.00 N ATOM 364 CA PRO A 28 -2.775 -5.034 7.511 1.00 0.00 C ATOM 365 C PRO A 28 -3.942 -4.225 6.942 1.00 0.00 C ATOM 366 O PRO A 28 -5.096 -4.642 7.035 1.00 0.00 O ATOM 367 CB PRO A 28 -2.704 -6.446 6.954 1.00 0.00 C ATOM 368 CG PRO A 28 -3.266 -7.351 8.038 1.00 0.00 C ATOM 369 CD PRO A 28 -3.334 -6.548 9.327 1.00 0.00 C ATOM 0 HA PRO A 28 -1.886 -4.466 7.236 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.283 -6.532 6.034 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -1.677 -6.719 6.711 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -4.257 -7.710 7.759 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.633 -8.229 8.168 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -4.343 -6.544 9.738 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -2.680 -6.969 10.091 1.00 0.00 H new ATOM 377 N ILE A 29 -3.603 -3.081 6.365 1.00 0.00 N ATOM 378 CA ILE A 29 -4.608 -2.210 5.781 1.00 0.00 C ATOM 379 C ILE A 29 -4.995 -2.740 4.399 1.00 0.00 C ATOM 380 O ILE A 29 -4.183 -2.729 3.476 1.00 0.00 O ATOM 381 CB ILE A 29 -4.119 -0.760 5.768 1.00 0.00 C ATOM 382 CG1 ILE A 29 -3.983 -0.215 7.192 1.00 0.00 C ATOM 383 CG2 ILE A 29 -5.025 0.117 4.902 1.00 0.00 C ATOM 384 CD1 ILE A 29 -2.523 0.108 7.518 1.00 0.00 C ATOM 0 H ILE A 29 -2.646 -2.737 6.290 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.513 -2.212 6.389 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.126 -0.738 5.319 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.591 0.683 7.301 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.365 -0.947 7.904 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.655 1.142 4.910 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.027 -0.260 3.879 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.040 0.095 5.299 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.454 0.493 8.535 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.922 -0.797 7.431 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.152 0.858 6.820 1.00 0.00 H new ATOM 396 N PHE A 30 -6.237 -3.191 4.300 1.00 0.00 N ATOM 397 CA PHE A 30 -6.742 -3.725 3.047 1.00 0.00 C ATOM 398 C PHE A 30 -7.314 -2.610 2.168 1.00 0.00 C ATOM 399 O PHE A 30 -8.369 -2.056 2.470 1.00 0.00 O ATOM 400 CB PHE A 30 -7.862 -4.707 3.397 1.00 0.00 C ATOM 401 CG PHE A 30 -7.366 -6.053 3.928 1.00 0.00 C ATOM 402 CD1 PHE A 30 -7.088 -6.202 5.251 1.00 0.00 C ATOM 403 CD2 PHE A 30 -7.202 -7.101 3.076 1.00 0.00 C ATOM 404 CE1 PHE A 30 -6.627 -7.452 5.743 1.00 0.00 C ATOM 405 CE2 PHE A 30 -6.741 -8.350 3.568 1.00 0.00 C ATOM 406 CZ PHE A 30 -6.463 -8.500 4.892 1.00 0.00 C ATOM 0 H PHE A 30 -6.909 -3.197 5.068 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.935 -4.209 2.497 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -8.511 -4.250 4.144 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -8.470 -4.880 2.509 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -7.218 -5.370 5.927 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -7.423 -6.983 2.025 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.407 -7.570 6.794 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.611 -9.182 2.892 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.112 -9.450 5.266 1.00 0.00 H new ATOM 416 N LEU A 31 -6.591 -2.316 1.097 1.00 0.00 N ATOM 417 CA LEU A 31 -7.013 -1.278 0.172 1.00 0.00 C ATOM 418 C LEU A 31 -8.352 -1.673 -0.455 1.00 0.00 C ATOM 419 O LEU A 31 -8.671 -2.857 -0.551 1.00 0.00 O ATOM 420 CB LEU A 31 -5.914 -0.995 -0.854 1.00 0.00 C ATOM 421 CG LEU A 31 -4.489 -0.911 -0.304 1.00 0.00 C ATOM 422 CD1 LEU A 31 -3.594 -0.077 -1.223 1.00 0.00 C ATOM 423 CD2 LEU A 31 -4.486 -0.382 1.132 1.00 0.00 C ATOM 0 H LEU A 31 -5.716 -2.778 0.849 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.173 -0.339 0.701 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.944 -1.776 -1.614 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.145 -0.055 -1.355 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.074 -1.918 -0.278 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.587 -0.034 -0.808 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.560 -0.535 -2.211 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.997 0.933 -1.305 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.461 -0.332 1.499 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.928 0.614 1.154 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.067 -1.051 1.767 1.00 0.00 H new ATOM 435 N PRO A 32 -9.119 -0.632 -0.876 1.00 0.00 N ATOM 436 CA PRO A 32 -10.416 -0.858 -1.491 1.00 0.00 C ATOM 437 C PRO A 32 -10.261 -1.369 -2.925 1.00 0.00 C ATOM 438 O PRO A 32 -9.185 -1.265 -3.512 1.00 0.00 O ATOM 439 CB PRO A 32 -11.128 0.483 -1.412 1.00 0.00 C ATOM 440 CG PRO A 32 -10.040 1.519 -1.181 1.00 0.00 C ATOM 441 CD PRO A 32 -8.773 0.783 -0.779 1.00 0.00 C ATOM 0 HA PRO A 32 -10.993 -1.631 -0.984 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -11.675 0.690 -2.332 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -11.855 0.492 -0.600 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -9.871 2.103 -2.086 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -10.339 2.219 -0.401 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -7.943 1.034 -1.440 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -8.466 1.047 0.233 1.00 0.00 H new ATOM 449 N SER A 33 -11.352 -1.910 -3.447 1.00 0.00 N ATOM 450 CA SER A 33 -11.351 -2.438 -4.801 1.00 0.00 C ATOM 451 C SER A 33 -12.136 -1.506 -5.726 1.00 0.00 C ATOM 452 O SER A 33 -11.782 -1.340 -6.892 1.00 0.00 O ATOM 453 CB SER A 33 -11.941 -3.849 -4.843 1.00 0.00 C ATOM 454 OG SER A 33 -13.314 -3.865 -4.461 1.00 0.00 O ATOM 0 H SER A 33 -12.243 -1.994 -2.957 1.00 0.00 H new ATOM 0 HA SER A 33 -10.318 -2.496 -5.145 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.840 -4.254 -5.850 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.372 -4.500 -4.179 1.00 0.00 H new ATOM 0 HG SER A 33 -13.654 -4.783 -4.502 1.00 0.00 H new ATOM 460 N ASP A 34 -13.189 -0.923 -5.172 1.00 0.00 N ATOM 461 CA ASP A 34 -14.027 -0.013 -5.933 1.00 0.00 C ATOM 462 C ASP A 34 -13.140 0.930 -6.748 1.00 0.00 C ATOM 463 O ASP A 34 -13.550 1.420 -7.799 1.00 0.00 O ATOM 464 CB ASP A 34 -14.896 0.840 -5.006 1.00 0.00 C ATOM 465 CG ASP A 34 -16.074 0.103 -4.364 1.00 0.00 C ATOM 466 OD1 ASP A 34 -16.675 -0.733 -5.074 1.00 0.00 O ATOM 467 OD2 ASP A 34 -16.346 0.392 -3.179 1.00 0.00 O ATOM 0 H ASP A 34 -13.481 -1.063 -4.205 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.668 -0.609 -6.583 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.266 1.246 -4.215 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.282 1.687 -5.573 1.00 0.00 H new ATOM 472 N GLY A 35 -11.940 1.155 -6.233 1.00 0.00 N ATOM 473 CA GLY A 35 -10.992 2.030 -6.901 1.00 0.00 C ATOM 474 C GLY A 35 -10.721 3.284 -6.066 1.00 0.00 C ATOM 475 O GLY A 35 -10.017 4.190 -6.510 1.00 0.00 O ATOM 0 H GLY A 35 -11.603 0.747 -5.361 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.058 1.495 -7.075 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.382 2.316 -7.878 1.00 0.00 H new ATOM 479 N GLN A 36 -11.294 3.296 -4.872 1.00 0.00 N ATOM 480 CA GLN A 36 -11.123 4.423 -3.971 1.00 0.00 C ATOM 481 C GLN A 36 -9.639 4.635 -3.662 1.00 0.00 C ATOM 482 O GLN A 36 -8.805 3.797 -3.999 1.00 0.00 O ATOM 483 CB GLN A 36 -11.927 4.224 -2.685 1.00 0.00 C ATOM 484 CG GLN A 36 -13.414 4.503 -2.919 1.00 0.00 C ATOM 485 CD GLN A 36 -14.286 3.493 -2.171 1.00 0.00 C ATOM 486 OE1 GLN A 36 -15.156 2.849 -2.732 1.00 0.00 O ATOM 487 NE2 GLN A 36 -14.004 3.391 -0.875 1.00 0.00 N ATOM 0 H GLN A 36 -11.877 2.543 -4.507 1.00 0.00 H new ATOM 0 HA GLN A 36 -11.503 5.318 -4.464 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.797 3.203 -2.325 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -11.547 4.887 -1.908 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -13.655 5.513 -2.587 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -13.633 4.458 -3.986 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -13.262 3.960 -0.468 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -14.530 2.743 -0.288 1.00 0.00 H new ATOM 496 N ALA A 37 -9.356 5.761 -3.024 1.00 0.00 N ATOM 497 CA ALA A 37 -7.988 6.095 -2.666 1.00 0.00 C ATOM 498 C ALA A 37 -7.858 6.127 -1.142 1.00 0.00 C ATOM 499 O ALA A 37 -8.504 6.936 -0.477 1.00 0.00 O ATOM 500 CB ALA A 37 -7.600 7.426 -3.313 1.00 0.00 C ATOM 0 H ALA A 37 -10.051 6.454 -2.746 1.00 0.00 H new ATOM 0 HA ALA A 37 -7.298 5.339 -3.040 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.574 7.676 -3.044 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.681 7.341 -4.397 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.269 8.211 -2.960 1.00 0.00 H new ATOM 506 N LEU A 38 -7.017 5.239 -0.632 1.00 0.00 N ATOM 507 CA LEU A 38 -6.794 5.156 0.801 1.00 0.00 C ATOM 508 C LEU A 38 -5.623 6.064 1.184 1.00 0.00 C ATOM 509 O LEU A 38 -4.468 5.742 0.909 1.00 0.00 O ATOM 510 CB LEU A 38 -6.609 3.700 1.231 1.00 0.00 C ATOM 511 CG LEU A 38 -7.113 3.345 2.632 1.00 0.00 C ATOM 512 CD1 LEU A 38 -8.579 3.744 2.804 1.00 0.00 C ATOM 513 CD2 LEU A 38 -6.882 1.863 2.938 1.00 0.00 C ATOM 0 H LEU A 38 -6.482 4.571 -1.186 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.668 5.516 1.344 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.120 3.061 0.510 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.548 3.458 1.176 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.536 3.918 3.358 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.912 3.481 3.808 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.683 4.819 2.657 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.188 3.217 2.070 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.249 1.637 3.939 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.416 1.253 2.209 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.816 1.642 2.884 1.00 0.00 H new ATOM 525 N VAL A 39 -5.962 7.180 1.813 1.00 0.00 N ATOM 526 CA VAL A 39 -4.953 8.136 2.236 1.00 0.00 C ATOM 527 C VAL A 39 -4.208 7.581 3.452 1.00 0.00 C ATOM 528 O VAL A 39 -4.827 7.063 4.380 1.00 0.00 O ATOM 529 CB VAL A 39 -5.601 9.496 2.502 1.00 0.00 C ATOM 530 CG1 VAL A 39 -4.894 10.226 3.647 1.00 0.00 C ATOM 531 CG2 VAL A 39 -5.619 10.353 1.234 1.00 0.00 C ATOM 0 H VAL A 39 -6.921 7.443 2.040 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.217 8.289 1.447 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.634 9.321 2.803 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.374 11.190 3.816 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.956 9.626 4.555 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.847 10.383 3.387 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.085 11.314 1.451 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.598 10.514 0.889 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.187 9.842 0.457 1.00 0.00 H new ATOM 541 N LEU A 40 -2.890 7.707 3.407 1.00 0.00 N ATOM 542 CA LEU A 40 -2.054 7.224 4.493 1.00 0.00 C ATOM 543 C LEU A 40 -1.315 8.405 5.125 1.00 0.00 C ATOM 544 O LEU A 40 -1.237 9.482 4.535 1.00 0.00 O ATOM 545 CB LEU A 40 -1.128 6.111 4.001 1.00 0.00 C ATOM 546 CG LEU A 40 -1.757 4.722 3.871 1.00 0.00 C ATOM 547 CD1 LEU A 40 -0.688 3.656 3.629 1.00 0.00 C ATOM 548 CD2 LEU A 40 -2.625 4.398 5.089 1.00 0.00 C ATOM 0 H LEU A 40 -2.380 8.137 2.635 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.666 6.775 5.275 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.730 6.400 3.028 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.281 6.042 4.684 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.412 4.724 3.000 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.162 2.679 3.540 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.150 3.883 2.709 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.011 3.646 4.465 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.060 3.406 4.972 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.011 4.421 5.990 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.422 5.136 5.174 1.00 0.00 H new ATOM 560 N GLY A 41 -0.791 8.164 6.318 1.00 0.00 N ATOM 561 CA GLY A 41 -0.061 9.194 7.037 1.00 0.00 C ATOM 562 C GLY A 41 -0.098 8.940 8.545 1.00 0.00 C ATOM 563 O GLY A 41 -0.126 7.791 8.985 1.00 0.00 O ATOM 0 H GLY A 41 -0.858 7.270 6.805 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.973 9.219 6.694 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.493 10.171 6.818 1.00 0.00 H new ATOM 567 N ARG A 42 -0.095 10.031 9.297 1.00 0.00 N ATOM 568 CA ARG A 42 -0.127 9.941 10.747 1.00 0.00 C ATOM 569 C ARG A 42 -1.450 9.328 11.211 1.00 0.00 C ATOM 570 O ARG A 42 -2.503 9.610 10.642 1.00 0.00 O ATOM 571 CB ARG A 42 0.040 11.320 11.388 1.00 0.00 C ATOM 572 CG ARG A 42 1.370 11.418 12.138 1.00 0.00 C ATOM 573 CD ARG A 42 1.361 12.591 13.120 1.00 0.00 C ATOM 574 NE ARG A 42 0.699 12.190 14.382 1.00 0.00 N ATOM 575 CZ ARG A 42 0.337 13.047 15.346 1.00 0.00 C ATOM 576 NH1 ARG A 42 0.571 14.358 15.199 1.00 0.00 N ATOM 577 NH2 ARG A 42 -0.258 12.593 16.457 1.00 0.00 N ATOM 0 H ARG A 42 -0.071 10.982 8.929 1.00 0.00 H new ATOM 0 HA ARG A 42 0.702 9.305 11.058 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -0.005 12.091 10.619 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.784 11.508 12.076 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.557 10.489 12.677 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.185 11.542 11.425 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.382 12.914 13.322 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.839 13.440 12.680 1.00 0.00 H new ATOM 0 HE ARG A 42 0.506 11.199 14.527 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.025 14.703 14.353 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.295 15.011 15.933 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.435 11.595 16.569 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -0.534 13.245 17.191 1.00 0.00 H new ATOM 591 N GLY A 43 -1.352 8.500 12.241 1.00 0.00 N ATOM 592 CA GLY A 43 -2.528 7.844 12.789 1.00 0.00 C ATOM 593 C GLY A 43 -2.216 6.399 13.182 1.00 0.00 C ATOM 594 O GLY A 43 -1.065 5.971 13.126 1.00 0.00 O ATOM 0 H GLY A 43 -0.477 8.268 12.711 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.882 8.394 13.661 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.333 7.859 12.054 1.00 0.00 H new ATOM 598 N PRO A 44 -3.291 5.668 13.583 1.00 0.00 N ATOM 599 CA PRO A 44 -3.143 4.280 13.986 1.00 0.00 C ATOM 600 C PRO A 44 -2.937 3.375 12.769 1.00 0.00 C ATOM 601 O PRO A 44 -2.653 2.187 12.916 1.00 0.00 O ATOM 602 CB PRO A 44 -4.412 3.957 14.758 1.00 0.00 C ATOM 603 CG PRO A 44 -5.422 5.023 14.364 1.00 0.00 C ATOM 604 CD PRO A 44 -4.669 6.142 13.662 1.00 0.00 C ATOM 0 HA PRO A 44 -2.262 4.114 14.606 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.778 2.961 14.509 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -4.230 3.970 15.833 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.183 4.603 13.706 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -5.938 5.404 15.245 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.079 6.334 12.671 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -4.735 7.075 14.221 1.00 0.00 H new ATOM 612 N LEU A 45 -3.089 3.971 11.596 1.00 0.00 N ATOM 613 CA LEU A 45 -2.923 3.233 10.355 1.00 0.00 C ATOM 614 C LEU A 45 -1.548 2.562 10.346 1.00 0.00 C ATOM 615 O LEU A 45 -1.453 1.337 10.289 1.00 0.00 O ATOM 616 CB LEU A 45 -3.169 4.146 9.152 1.00 0.00 C ATOM 617 CG LEU A 45 -4.634 4.448 8.828 1.00 0.00 C ATOM 618 CD1 LEU A 45 -5.162 5.594 9.693 1.00 0.00 C ATOM 619 CD2 LEU A 45 -4.819 4.725 7.335 1.00 0.00 C ATOM 0 H LEU A 45 -3.325 4.956 11.478 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.666 2.439 10.281 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.654 5.091 9.326 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.710 3.690 8.275 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.226 3.565 9.068 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.205 5.788 9.443 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.086 5.320 10.745 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.571 6.491 9.508 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.869 4.937 7.132 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.213 5.584 7.046 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.507 3.852 6.762 1.00 0.00 H new ATOM 631 N THR A 46 -0.518 3.393 10.402 1.00 0.00 N ATOM 632 CA THR A 46 0.847 2.895 10.401 1.00 0.00 C ATOM 633 C THR A 46 1.511 3.157 11.754 1.00 0.00 C ATOM 634 O THR A 46 2.708 2.925 11.917 1.00 0.00 O ATOM 635 CB THR A 46 1.585 3.540 9.227 1.00 0.00 C ATOM 636 OG1 THR A 46 1.837 4.872 9.665 1.00 0.00 O ATOM 637 CG2 THR A 46 0.690 3.716 7.998 1.00 0.00 C ATOM 0 H THR A 46 -0.601 4.409 10.448 1.00 0.00 H new ATOM 0 HA THR A 46 0.873 1.814 10.265 1.00 0.00 H new ATOM 0 HB THR A 46 2.449 2.930 8.963 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.014 5.444 8.889 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.263 4.178 7.194 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.326 2.742 7.671 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.157 4.353 8.253 1.00 0.00 H new ATOM 645 N GLN A 47 0.705 3.637 12.690 1.00 0.00 N ATOM 646 CA GLN A 47 1.200 3.934 14.024 1.00 0.00 C ATOM 647 C GLN A 47 2.218 5.074 13.971 1.00 0.00 C ATOM 648 O GLN A 47 2.955 5.298 14.930 1.00 0.00 O ATOM 649 CB GLN A 47 1.806 2.688 14.673 1.00 0.00 C ATOM 650 CG GLN A 47 0.711 1.737 15.162 1.00 0.00 C ATOM 651 CD GLN A 47 0.590 1.778 16.687 1.00 0.00 C ATOM 652 OE1 GLN A 47 1.488 2.204 17.395 1.00 0.00 O ATOM 653 NE2 GLN A 47 -0.566 1.313 17.150 1.00 0.00 N ATOM 0 H GLN A 47 -0.287 3.828 12.551 1.00 0.00 H new ATOM 0 HA GLN A 47 0.359 4.253 14.640 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.445 2.174 13.955 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.439 2.981 15.511 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -0.242 2.012 14.710 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.936 0.721 14.839 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.275 0.971 16.501 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.744 1.298 18.154 1.00 0.00 H new ATOM 662 N VAL A 48 2.227 5.765 12.840 1.00 0.00 N ATOM 663 CA VAL A 48 3.143 6.877 12.650 1.00 0.00 C ATOM 664 C VAL A 48 2.639 8.088 13.439 1.00 0.00 C ATOM 665 O VAL A 48 1.455 8.417 13.389 1.00 0.00 O ATOM 666 CB VAL A 48 3.312 7.165 11.157 1.00 0.00 C ATOM 667 CG1 VAL A 48 4.048 8.488 10.934 1.00 0.00 C ATOM 668 CG2 VAL A 48 4.032 6.012 10.454 1.00 0.00 C ATOM 0 H VAL A 48 1.615 5.576 12.046 1.00 0.00 H new ATOM 0 HA VAL A 48 4.132 6.628 13.034 1.00 0.00 H new ATOM 0 HB VAL A 48 2.318 7.256 10.719 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.155 8.669 9.864 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.479 9.301 11.385 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.035 8.437 11.394 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.139 6.242 9.394 1.00 0.00 H new ATOM 0 HG22 VAL A 48 5.018 5.875 10.897 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.452 5.096 10.570 1.00 0.00 H new ATOM 678 N THR A 49 3.564 8.717 14.149 1.00 0.00 N ATOM 679 CA THR A 49 3.229 9.884 14.948 1.00 0.00 C ATOM 680 C THR A 49 4.176 11.041 14.625 1.00 0.00 C ATOM 681 O THR A 49 4.182 12.056 15.320 1.00 0.00 O ATOM 682 CB THR A 49 3.253 9.471 16.421 1.00 0.00 C ATOM 683 OG1 THR A 49 4.521 8.843 16.584 1.00 0.00 O ATOM 684 CG2 THR A 49 2.245 8.364 16.735 1.00 0.00 C ATOM 0 H THR A 49 4.545 8.441 14.188 1.00 0.00 H new ATOM 0 HA THR A 49 2.229 10.250 14.715 1.00 0.00 H new ATOM 0 HB THR A 49 3.044 10.340 17.045 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.622 8.545 17.512 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.303 8.108 17.793 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.239 8.711 16.500 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.474 7.483 16.136 1.00 0.00 H new ATOM 692 N ASP A 50 4.955 10.849 13.570 1.00 0.00 N ATOM 693 CA ASP A 50 5.904 11.865 13.147 1.00 0.00 C ATOM 694 C ASP A 50 5.142 13.068 12.588 1.00 0.00 C ATOM 695 O ASP A 50 4.281 12.916 11.723 1.00 0.00 O ATOM 696 CB ASP A 50 6.823 11.334 12.044 1.00 0.00 C ATOM 697 CG ASP A 50 8.219 11.959 12.009 1.00 0.00 C ATOM 698 OD1 ASP A 50 8.737 12.252 13.108 1.00 0.00 O ATOM 699 OD2 ASP A 50 8.737 12.129 10.884 1.00 0.00 O ATOM 0 H ASP A 50 4.948 10.006 12.996 1.00 0.00 H new ATOM 0 HA ASP A 50 6.504 12.148 14.012 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.927 10.256 12.166 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.342 11.501 11.080 1.00 0.00 H new ATOM 704 N ARG A 51 5.487 14.238 13.106 1.00 0.00 N ATOM 705 CA ARG A 51 4.846 15.467 12.670 1.00 0.00 C ATOM 706 C ARG A 51 5.025 15.653 11.162 1.00 0.00 C ATOM 707 O ARG A 51 4.078 16.007 10.461 1.00 0.00 O ATOM 708 CB ARG A 51 5.428 16.680 13.399 1.00 0.00 C ATOM 709 CG ARG A 51 5.078 16.646 14.888 1.00 0.00 C ATOM 710 CD ARG A 51 5.917 17.656 15.672 1.00 0.00 C ATOM 711 NE ARG A 51 5.048 18.446 16.572 1.00 0.00 N ATOM 712 CZ ARG A 51 4.429 17.945 17.650 1.00 0.00 C ATOM 713 NH1 ARG A 51 4.581 16.652 17.969 1.00 0.00 N ATOM 714 NH2 ARG A 51 3.659 18.736 18.409 1.00 0.00 N ATOM 0 H ARG A 51 6.202 14.361 13.823 1.00 0.00 H new ATOM 0 HA ARG A 51 3.785 15.390 12.907 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.511 16.697 13.277 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.043 17.596 12.952 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.019 16.867 15.021 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.247 15.644 15.282 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.678 17.136 16.253 1.00 0.00 H new ATOM 0 HD3 ARG A 51 6.440 18.319 14.983 1.00 0.00 H new ATOM 0 HE ARG A 51 4.911 19.434 16.359 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.168 16.050 17.391 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.110 16.270 18.789 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.544 19.720 18.167 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.188 18.354 19.229 1.00 0.00 H new ATOM 728 N LYS A 52 6.244 15.405 10.708 1.00 0.00 N ATOM 729 CA LYS A 52 6.559 15.541 9.296 1.00 0.00 C ATOM 730 C LYS A 52 5.509 14.794 8.470 1.00 0.00 C ATOM 731 O LYS A 52 5.260 15.140 7.316 1.00 0.00 O ATOM 732 CB LYS A 52 7.994 15.088 9.021 1.00 0.00 C ATOM 733 CG LYS A 52 9.002 16.004 9.718 1.00 0.00 C ATOM 734 CD LYS A 52 9.949 16.649 8.704 1.00 0.00 C ATOM 735 CE LYS A 52 11.348 16.036 8.794 1.00 0.00 C ATOM 736 NZ LYS A 52 12.178 16.470 7.648 1.00 0.00 N ATOM 0 H LYS A 52 7.026 15.110 11.293 1.00 0.00 H new ATOM 0 HA LYS A 52 6.517 16.588 8.995 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.128 14.063 9.368 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.179 15.088 7.947 1.00 0.00 H new ATOM 0 HG2 LYS A 52 8.472 16.780 10.271 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.577 15.431 10.445 1.00 0.00 H new ATOM 0 HD2 LYS A 52 9.554 16.517 7.697 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.006 17.722 8.886 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.823 16.335 9.729 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.275 14.949 8.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.124 16.045 7.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.731 16.164 6.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.262 17.507 7.653 1.00 0.00 H new ATOM 750 N CYS A 53 4.922 13.783 9.093 1.00 0.00 N ATOM 751 CA CYS A 53 3.905 12.984 8.431 1.00 0.00 C ATOM 752 C CYS A 53 2.599 13.781 8.422 1.00 0.00 C ATOM 753 O CYS A 53 2.281 14.469 9.391 1.00 0.00 O ATOM 754 CB CYS A 53 3.736 11.617 9.097 1.00 0.00 C ATOM 755 SG CYS A 53 4.184 10.288 7.922 1.00 0.00 S ATOM 0 H CYS A 53 5.131 13.499 10.050 1.00 0.00 H new ATOM 0 HA CYS A 53 4.211 12.778 7.405 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.365 11.556 9.985 1.00 0.00 H new ATOM 0 HB3 CYS A 53 2.705 11.489 9.427 1.00 0.00 H new ATOM 0 HG CYS A 53 3.927 10.677 6.708 1.00 0.00 H new ATOM 761 N SER A 54 1.877 13.661 7.318 1.00 0.00 N ATOM 762 CA SER A 54 0.612 14.361 7.170 1.00 0.00 C ATOM 763 C SER A 54 -0.522 13.355 6.963 1.00 0.00 C ATOM 764 O SER A 54 -0.397 12.429 6.163 1.00 0.00 O ATOM 765 CB SER A 54 0.663 15.351 6.005 1.00 0.00 C ATOM 766 OG SER A 54 0.006 16.576 6.316 1.00 0.00 O ATOM 0 H SER A 54 2.144 13.089 6.517 1.00 0.00 H new ATOM 0 HA SER A 54 0.425 14.926 8.083 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.702 15.553 5.746 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.197 14.902 5.128 1.00 0.00 H new ATOM 0 HG SER A 54 0.062 17.182 5.548 1.00 0.00 H new ATOM 772 N ARG A 55 -1.603 13.571 7.698 1.00 0.00 N ATOM 773 CA ARG A 55 -2.758 12.695 7.605 1.00 0.00 C ATOM 774 C ARG A 55 -2.980 12.261 6.155 1.00 0.00 C ATOM 775 O ARG A 55 -3.443 11.150 5.899 1.00 0.00 O ATOM 776 CB ARG A 55 -4.020 13.390 8.121 1.00 0.00 C ATOM 777 CG ARG A 55 -3.954 13.592 9.636 1.00 0.00 C ATOM 778 CD ARG A 55 -5.304 14.059 10.186 1.00 0.00 C ATOM 779 NE ARG A 55 -5.119 15.268 11.019 1.00 0.00 N ATOM 780 CZ ARG A 55 -6.079 15.807 11.784 1.00 0.00 C ATOM 781 NH1 ARG A 55 -7.296 15.248 11.825 1.00 0.00 N ATOM 782 NH2 ARG A 55 -5.821 16.905 12.507 1.00 0.00 N ATOM 0 H ARG A 55 -1.703 14.340 8.361 1.00 0.00 H new ATOM 0 HA ARG A 55 -2.560 11.820 8.224 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -4.136 14.354 7.627 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -4.897 12.794 7.868 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -3.664 12.659 10.119 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -3.186 14.327 9.875 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -5.986 14.275 9.364 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -5.759 13.265 10.778 1.00 0.00 H new ATOM 0 HE ARG A 55 -4.204 15.719 11.011 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -7.492 14.412 11.274 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -8.026 15.658 12.407 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -4.895 17.330 12.475 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -6.551 17.315 13.089 1.00 0.00 H new ATOM 796 N ASN A 56 -2.639 13.160 5.243 1.00 0.00 N ATOM 797 CA ASN A 56 -2.795 12.884 3.825 1.00 0.00 C ATOM 798 C ASN A 56 -1.460 13.116 3.115 1.00 0.00 C ATOM 799 O ASN A 56 -1.361 13.969 2.234 1.00 0.00 O ATOM 800 CB ASN A 56 -3.834 13.813 3.194 1.00 0.00 C ATOM 801 CG ASN A 56 -3.733 15.224 3.777 1.00 0.00 C ATOM 802 OD1 ASN A 56 -2.725 15.622 4.336 1.00 0.00 O ATOM 803 ND2 ASN A 56 -4.832 15.955 3.615 1.00 0.00 N ATOM 0 H ASN A 56 -2.255 14.080 5.459 1.00 0.00 H new ATOM 0 HA ASN A 56 -3.123 11.850 3.717 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.686 13.850 2.115 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.834 13.415 3.365 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -4.865 16.911 3.969 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -5.642 15.560 3.137 1.00 0.00 H new ATOM 810 N GLN A 57 -0.465 12.342 3.524 1.00 0.00 N ATOM 811 CA GLN A 57 0.860 12.453 2.938 1.00 0.00 C ATOM 812 C GLN A 57 0.846 11.943 1.496 1.00 0.00 C ATOM 813 O GLN A 57 1.321 12.624 0.588 1.00 0.00 O ATOM 814 CB GLN A 57 1.895 11.700 3.777 1.00 0.00 C ATOM 815 CG GLN A 57 3.223 11.577 3.027 1.00 0.00 C ATOM 816 CD GLN A 57 3.881 12.947 2.850 1.00 0.00 C ATOM 817 OE1 GLN A 57 3.495 13.933 3.456 1.00 0.00 O ATOM 818 NE2 GLN A 57 4.893 12.953 1.987 1.00 0.00 N ATOM 0 H GLN A 57 -0.550 11.635 4.255 1.00 0.00 H new ATOM 0 HA GLN A 57 1.145 13.505 2.928 1.00 0.00 H new ATOM 0 HB2 GLN A 57 2.053 12.222 4.721 1.00 0.00 H new ATOM 0 HB3 GLN A 57 1.518 10.707 4.021 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.894 10.915 3.574 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.053 11.122 2.051 1.00 0.00 H new ATOM 0 HE21 GLN A 57 5.165 12.091 1.514 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.397 13.819 1.799 1.00 0.00 H new ATOM 827 N VAL A 58 0.298 10.748 1.330 1.00 0.00 N ATOM 828 CA VAL A 58 0.216 10.139 0.013 1.00 0.00 C ATOM 829 C VAL A 58 -1.128 9.423 -0.131 1.00 0.00 C ATOM 830 O VAL A 58 -1.727 9.013 0.863 1.00 0.00 O ATOM 831 CB VAL A 58 1.413 9.212 -0.210 1.00 0.00 C ATOM 832 CG1 VAL A 58 2.708 10.015 -0.355 1.00 0.00 C ATOM 833 CG2 VAL A 58 1.528 8.185 0.918 1.00 0.00 C ATOM 0 H VAL A 58 -0.093 10.185 2.085 1.00 0.00 H new ATOM 0 HA VAL A 58 0.263 10.902 -0.764 1.00 0.00 H new ATOM 0 HB VAL A 58 1.249 8.670 -1.141 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.543 9.333 -0.512 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.624 10.689 -1.207 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.880 10.596 0.551 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.386 7.539 0.735 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.659 8.702 1.869 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.621 7.582 0.955 1.00 0.00 H new ATOM 843 N GLU A 59 -1.564 9.295 -1.376 1.00 0.00 N ATOM 844 CA GLU A 59 -2.827 8.636 -1.662 1.00 0.00 C ATOM 845 C GLU A 59 -2.579 7.268 -2.302 1.00 0.00 C ATOM 846 O GLU A 59 -2.063 7.185 -3.416 1.00 0.00 O ATOM 847 CB GLU A 59 -3.710 9.508 -2.557 1.00 0.00 C ATOM 848 CG GLU A 59 -4.965 8.750 -2.995 1.00 0.00 C ATOM 849 CD GLU A 59 -5.912 9.663 -3.776 1.00 0.00 C ATOM 850 OE1 GLU A 59 -6.621 10.448 -3.109 1.00 0.00 O ATOM 851 OE2 GLU A 59 -5.907 9.556 -5.021 1.00 0.00 O ATOM 0 H GLU A 59 -1.065 9.636 -2.198 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.357 8.485 -0.721 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.996 10.413 -2.021 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.146 9.822 -3.435 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.682 7.898 -3.614 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.478 8.352 -2.120 1.00 0.00 H new ATOM 858 N LEU A 60 -2.958 6.231 -1.571 1.00 0.00 N ATOM 859 CA LEU A 60 -2.783 4.871 -2.053 1.00 0.00 C ATOM 860 C LEU A 60 -4.081 4.397 -2.709 1.00 0.00 C ATOM 861 O LEU A 60 -5.170 4.678 -2.213 1.00 0.00 O ATOM 862 CB LEU A 60 -2.296 3.961 -0.924 1.00 0.00 C ATOM 863 CG LEU A 60 -0.801 4.029 -0.604 1.00 0.00 C ATOM 864 CD1 LEU A 60 -0.523 5.046 0.505 1.00 0.00 C ATOM 865 CD2 LEU A 60 -0.249 2.644 -0.264 1.00 0.00 C ATOM 0 H LEU A 60 -3.386 6.305 -0.648 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.007 4.834 -2.817 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.852 4.208 -0.020 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.546 2.932 -1.181 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.277 4.374 -1.495 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.547 5.074 0.713 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.857 6.033 0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.060 4.756 1.408 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.815 2.721 -0.041 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.774 2.246 0.604 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.394 1.976 -1.113 1.00 0.00 H new ATOM 877 N ILE A 61 -3.921 3.685 -3.815 1.00 0.00 N ATOM 878 CA ILE A 61 -5.067 3.168 -4.545 1.00 0.00 C ATOM 879 C ILE A 61 -4.770 1.740 -5.007 1.00 0.00 C ATOM 880 O ILE A 61 -3.804 1.507 -5.731 1.00 0.00 O ATOM 881 CB ILE A 61 -5.449 4.117 -5.683 1.00 0.00 C ATOM 882 CG1 ILE A 61 -6.078 5.401 -5.139 1.00 0.00 C ATOM 883 CG2 ILE A 61 -6.357 3.418 -6.696 1.00 0.00 C ATOM 884 CD1 ILE A 61 -5.780 6.589 -6.056 1.00 0.00 C ATOM 0 H ILE A 61 -3.015 3.454 -4.224 1.00 0.00 H new ATOM 0 HA ILE A 61 -5.942 3.117 -3.896 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.539 4.404 -6.210 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.156 5.271 -5.046 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.694 5.603 -4.139 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.614 4.114 -7.495 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.837 2.558 -7.118 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.268 3.084 -6.199 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.239 7.489 -5.646 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.702 6.732 -6.128 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.187 6.394 -7.048 1.00 0.00 H new ATOM 896 N ALA A 62 -5.619 0.822 -4.570 1.00 0.00 N ATOM 897 CA ALA A 62 -5.460 -0.576 -4.930 1.00 0.00 C ATOM 898 C ALA A 62 -5.884 -0.775 -6.386 1.00 0.00 C ATOM 899 O ALA A 62 -6.970 -0.356 -6.783 1.00 0.00 O ATOM 900 CB ALA A 62 -6.266 -1.447 -3.964 1.00 0.00 C ATOM 0 H ALA A 62 -6.420 1.019 -3.970 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.416 -0.877 -4.847 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.147 -2.496 -4.234 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.906 -1.291 -2.947 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.320 -1.175 -4.022 1.00 0.00 H new ATOM 906 N ASP A 63 -5.005 -1.414 -7.143 1.00 0.00 N ATOM 907 CA ASP A 63 -5.275 -1.674 -8.547 1.00 0.00 C ATOM 908 C ASP A 63 -5.154 -3.175 -8.817 1.00 0.00 C ATOM 909 O ASP A 63 -4.086 -3.659 -9.187 1.00 0.00 O ATOM 910 CB ASP A 63 -4.268 -0.950 -9.444 1.00 0.00 C ATOM 911 CG ASP A 63 -4.874 -0.249 -10.662 1.00 0.00 C ATOM 912 OD1 ASP A 63 -5.974 0.320 -10.500 1.00 0.00 O ATOM 913 OD2 ASP A 63 -4.222 -0.299 -11.728 1.00 0.00 O ATOM 0 H ASP A 63 -4.105 -1.760 -6.811 1.00 0.00 H new ATOM 0 HA ASP A 63 -6.280 -1.315 -8.769 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.737 -0.210 -8.845 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.528 -1.672 -9.790 1.00 0.00 H new ATOM 918 N PRO A 64 -6.295 -3.888 -8.615 1.00 0.00 N ATOM 919 CA PRO A 64 -6.327 -5.324 -8.831 1.00 0.00 C ATOM 920 C PRO A 64 -6.346 -5.653 -10.326 1.00 0.00 C ATOM 921 O PRO A 64 -6.383 -6.822 -10.708 1.00 0.00 O ATOM 922 CB PRO A 64 -7.572 -5.804 -8.103 1.00 0.00 C ATOM 923 CG PRO A 64 -8.437 -4.571 -7.899 1.00 0.00 C ATOM 924 CD PRO A 64 -7.578 -3.348 -8.176 1.00 0.00 C ATOM 0 HA PRO A 64 -5.439 -5.827 -8.448 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -8.099 -6.559 -8.687 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.314 -6.262 -7.148 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.297 -4.593 -8.568 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -8.826 -4.542 -6.881 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.025 -2.716 -8.943 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -7.464 -2.733 -7.283 1.00 0.00 H new ATOM 932 N GLU A 65 -6.318 -4.601 -11.131 1.00 0.00 N ATOM 933 CA GLU A 65 -6.331 -4.763 -12.575 1.00 0.00 C ATOM 934 C GLU A 65 -5.025 -5.404 -13.048 1.00 0.00 C ATOM 935 O GLU A 65 -5.033 -6.250 -13.941 1.00 0.00 O ATOM 936 CB GLU A 65 -6.570 -3.424 -13.274 1.00 0.00 C ATOM 937 CG GLU A 65 -8.061 -3.200 -13.536 1.00 0.00 C ATOM 938 CD GLU A 65 -8.297 -2.695 -14.961 1.00 0.00 C ATOM 939 OE1 GLU A 65 -8.049 -3.489 -15.894 1.00 0.00 O ATOM 940 OE2 GLU A 65 -8.721 -1.525 -15.085 1.00 0.00 O ATOM 0 H GLU A 65 -6.286 -3.633 -10.811 1.00 0.00 H new ATOM 0 HA GLU A 65 -7.155 -5.426 -12.840 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -6.180 -2.614 -12.658 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.024 -3.399 -14.217 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.605 -4.132 -13.382 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -8.455 -2.478 -12.821 1.00 0.00 H new ATOM 947 N SER A 66 -3.935 -4.976 -12.430 1.00 0.00 N ATOM 948 CA SER A 66 -2.624 -5.498 -12.777 1.00 0.00 C ATOM 949 C SER A 66 -1.766 -5.638 -11.518 1.00 0.00 C ATOM 950 O SER A 66 -0.545 -5.504 -11.577 1.00 0.00 O ATOM 951 CB SER A 66 -1.925 -4.597 -13.798 1.00 0.00 C ATOM 952 OG SER A 66 -2.485 -4.734 -15.101 1.00 0.00 O ATOM 0 H SER A 66 -3.932 -4.273 -11.691 1.00 0.00 H new ATOM 0 HA SER A 66 -2.756 -6.481 -13.230 1.00 0.00 H new ATOM 0 HB2 SER A 66 -2.002 -3.558 -13.478 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.864 -4.842 -13.832 1.00 0.00 H new ATOM 0 HG SER A 66 -2.013 -4.142 -15.724 1.00 0.00 H new ATOM 958 N ARG A 67 -2.439 -5.906 -10.409 1.00 0.00 N ATOM 959 CA ARG A 67 -1.753 -6.066 -9.138 1.00 0.00 C ATOM 960 C ARG A 67 -0.766 -4.917 -8.919 1.00 0.00 C ATOM 961 O ARG A 67 0.432 -5.145 -8.763 1.00 0.00 O ATOM 962 CB ARG A 67 -0.999 -7.395 -9.082 1.00 0.00 C ATOM 963 CG ARG A 67 -1.969 -8.578 -9.113 1.00 0.00 C ATOM 964 CD ARG A 67 -1.625 -9.539 -10.254 1.00 0.00 C ATOM 965 NE ARG A 67 -1.637 -10.934 -9.761 1.00 0.00 N ATOM 966 CZ ARG A 67 -2.745 -11.589 -9.386 1.00 0.00 C ATOM 967 NH1 ARG A 67 -3.936 -10.980 -9.446 1.00 0.00 N ATOM 968 NH2 ARG A 67 -2.660 -12.854 -8.952 1.00 0.00 N ATOM 0 H ARG A 67 -3.452 -6.016 -10.364 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.507 -6.057 -8.351 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.311 -7.462 -9.925 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.397 -7.438 -8.174 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -1.931 -9.109 -8.162 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.989 -8.214 -9.235 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.344 -9.425 -11.066 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.643 -9.297 -10.661 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.747 -11.428 -9.703 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -4.000 -10.017 -9.777 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -4.779 -11.479 -9.161 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -1.753 -13.318 -8.907 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.503 -13.353 -8.667 1.00 0.00 H new ATOM 982 N THR A 68 -1.307 -3.708 -8.915 1.00 0.00 N ATOM 983 CA THR A 68 -0.488 -2.523 -8.718 1.00 0.00 C ATOM 984 C THR A 68 -1.164 -1.566 -7.734 1.00 0.00 C ATOM 985 O THR A 68 -2.281 -1.817 -7.285 1.00 0.00 O ATOM 986 CB THR A 68 -0.223 -1.898 -10.089 1.00 0.00 C ATOM 987 OG1 THR A 68 -1.450 -2.072 -10.793 1.00 0.00 O ATOM 988 CG2 THR A 68 0.793 -2.695 -10.909 1.00 0.00 C ATOM 0 H THR A 68 -2.302 -3.523 -9.045 1.00 0.00 H new ATOM 0 HA THR A 68 0.473 -2.776 -8.269 1.00 0.00 H new ATOM 0 HB THR A 68 0.136 -0.877 -9.959 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.367 -1.693 -11.693 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.945 -2.209 -11.873 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.740 -2.739 -10.372 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.419 -3.706 -11.068 1.00 0.00 H new ATOM 996 N VAL A 69 -0.458 -0.487 -7.428 1.00 0.00 N ATOM 997 CA VAL A 69 -0.975 0.509 -6.505 1.00 0.00 C ATOM 998 C VAL A 69 -0.431 1.886 -6.891 1.00 0.00 C ATOM 999 O VAL A 69 0.777 2.059 -7.045 1.00 0.00 O ATOM 1000 CB VAL A 69 -0.638 0.115 -5.066 1.00 0.00 C ATOM 1001 CG1 VAL A 69 -1.139 1.169 -4.077 1.00 0.00 C ATOM 1002 CG2 VAL A 69 -1.204 -1.266 -4.729 1.00 0.00 C ATOM 0 H VAL A 69 0.468 -0.281 -7.803 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.062 0.559 -6.567 1.00 0.00 H new ATOM 0 HB VAL A 69 0.447 0.063 -4.978 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.886 0.864 -3.061 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.667 2.127 -4.296 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.221 1.268 -4.168 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.950 -1.522 -3.700 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.288 -1.253 -4.843 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.778 -2.008 -5.403 1.00 0.00 H new ATOM 1012 N ALA A 70 -1.349 2.830 -7.036 1.00 0.00 N ATOM 1013 CA ALA A 70 -0.977 4.186 -7.401 1.00 0.00 C ATOM 1014 C ALA A 70 -0.704 4.995 -6.131 1.00 0.00 C ATOM 1015 O ALA A 70 -1.386 4.822 -5.122 1.00 0.00 O ATOM 1016 CB ALA A 70 -2.081 4.805 -8.261 1.00 0.00 C ATOM 0 H ALA A 70 -2.350 2.682 -6.907 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.063 4.186 -7.995 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.802 5.822 -8.535 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.215 4.210 -9.164 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -3.014 4.824 -7.697 1.00 0.00 H new ATOM 1022 N VAL A 71 0.294 5.861 -6.223 1.00 0.00 N ATOM 1023 CA VAL A 71 0.665 6.697 -5.093 1.00 0.00 C ATOM 1024 C VAL A 71 0.726 8.158 -5.544 1.00 0.00 C ATOM 1025 O VAL A 71 1.357 8.475 -6.551 1.00 0.00 O ATOM 1026 CB VAL A 71 1.980 6.204 -4.487 1.00 0.00 C ATOM 1027 CG1 VAL A 71 2.476 7.160 -3.400 1.00 0.00 C ATOM 1028 CG2 VAL A 71 1.833 4.782 -3.940 1.00 0.00 C ATOM 0 H VAL A 71 0.857 6.002 -7.062 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.086 6.630 -4.306 1.00 0.00 H new ATOM 0 HB VAL A 71 2.727 6.183 -5.281 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.412 6.786 -2.986 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.639 8.148 -3.831 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.731 7.228 -2.608 1.00 0.00 H new ATOM 0 HG21 VAL A 71 2.782 4.456 -3.515 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.065 4.767 -3.167 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.547 4.109 -4.748 1.00 0.00 H new ATOM 1038 N LYS A 72 0.062 9.009 -4.776 1.00 0.00 N ATOM 1039 CA LYS A 72 0.032 10.429 -5.084 1.00 0.00 C ATOM 1040 C LYS A 72 0.336 11.228 -3.815 1.00 0.00 C ATOM 1041 O LYS A 72 -0.374 11.110 -2.817 1.00 0.00 O ATOM 1042 CB LYS A 72 -1.295 10.806 -5.745 1.00 0.00 C ATOM 1043 CG LYS A 72 -1.407 12.322 -5.924 1.00 0.00 C ATOM 1044 CD LYS A 72 -2.136 12.667 -7.225 1.00 0.00 C ATOM 1045 CE LYS A 72 -3.501 13.294 -6.937 1.00 0.00 C ATOM 1046 NZ LYS A 72 -3.405 14.771 -6.939 1.00 0.00 N ATOM 0 H LYS A 72 -0.460 8.743 -3.941 1.00 0.00 H new ATOM 0 HA LYS A 72 0.805 10.678 -5.811 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.375 10.315 -6.715 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.124 10.446 -5.136 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.942 12.753 -5.078 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.411 12.766 -5.932 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.531 13.357 -7.813 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.265 11.766 -7.824 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.222 12.970 -7.687 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.869 12.949 -5.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.341 15.180 -6.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.732 15.076 -6.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.074 15.096 -7.870 1.00 0.00 H new ATOM 1060 N GLN A 73 1.393 12.023 -3.893 1.00 0.00 N ATOM 1061 CA GLN A 73 1.800 12.841 -2.764 1.00 0.00 C ATOM 1062 C GLN A 73 0.907 14.078 -2.656 1.00 0.00 C ATOM 1063 O GLN A 73 0.845 14.886 -3.581 1.00 0.00 O ATOM 1064 CB GLN A 73 3.274 13.236 -2.875 1.00 0.00 C ATOM 1065 CG GLN A 73 3.616 14.359 -1.894 1.00 0.00 C ATOM 1066 CD GLN A 73 5.127 14.590 -1.831 1.00 0.00 C ATOM 1067 OE1 GLN A 73 5.926 13.670 -1.903 1.00 0.00 O ATOM 1068 NE2 GLN A 73 5.474 15.867 -1.694 1.00 0.00 N ATOM 0 H GLN A 73 1.980 12.118 -4.722 1.00 0.00 H new ATOM 0 HA GLN A 73 1.684 12.253 -1.854 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.903 12.369 -2.674 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.492 13.559 -3.893 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.116 15.278 -2.199 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.241 14.107 -0.902 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.755 16.588 -1.640 1.00 0.00 H new ATOM 0 HE22 GLN A 73 6.460 16.125 -1.643 1.00 0.00 H new ATOM 1077 N LEU A 74 0.238 14.189 -1.517 1.00 0.00 N ATOM 1078 CA LEU A 74 -0.649 15.314 -1.276 1.00 0.00 C ATOM 1079 C LEU A 74 -0.175 16.074 -0.036 1.00 0.00 C ATOM 1080 O LEU A 74 -0.783 17.069 0.356 1.00 0.00 O ATOM 1081 CB LEU A 74 -2.102 14.843 -1.191 1.00 0.00 C ATOM 1082 CG LEU A 74 -2.475 13.654 -2.079 1.00 0.00 C ATOM 1083 CD1 LEU A 74 -3.350 12.655 -1.319 1.00 0.00 C ATOM 1084 CD2 LEU A 74 -3.136 14.124 -3.376 1.00 0.00 C ATOM 0 H LEU A 74 0.293 13.518 -0.751 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.614 16.013 -2.112 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.318 14.579 -0.156 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.750 15.681 -1.448 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.558 13.134 -2.355 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.601 11.820 -1.973 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.808 12.285 -0.449 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.266 13.148 -0.993 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.391 13.259 -3.989 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.042 14.682 -3.141 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.446 14.766 -3.924 1.00 0.00 H new ATOM 1096 N GLY A 75 0.906 15.577 0.547 1.00 0.00 N ATOM 1097 CA GLY A 75 1.468 16.197 1.735 1.00 0.00 C ATOM 1098 C GLY A 75 2.409 17.344 1.361 1.00 0.00 C ATOM 1099 O GLY A 75 2.038 18.233 0.597 1.00 0.00 O ATOM 0 H GLY A 75 1.408 14.752 0.219 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.664 16.573 2.368 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.010 15.452 2.317 1.00 0.00 H new ATOM 1103 N VAL A 76 3.610 17.286 1.918 1.00 0.00 N ATOM 1104 CA VAL A 76 4.608 18.308 1.653 1.00 0.00 C ATOM 1105 C VAL A 76 5.967 17.642 1.429 1.00 0.00 C ATOM 1106 O VAL A 76 6.629 17.896 0.424 1.00 0.00 O ATOM 1107 CB VAL A 76 4.623 19.332 2.790 1.00 0.00 C ATOM 1108 CG1 VAL A 76 4.706 18.637 4.151 1.00 0.00 C ATOM 1109 CG2 VAL A 76 5.769 20.330 2.614 1.00 0.00 C ATOM 0 H VAL A 76 3.914 16.547 2.552 1.00 0.00 H new ATOM 0 HA VAL A 76 4.362 18.856 0.744 1.00 0.00 H new ATOM 0 HB VAL A 76 3.686 19.888 2.753 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.715 19.387 4.942 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.843 17.984 4.279 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.619 18.044 4.202 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.757 21.047 3.435 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.719 19.796 2.612 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.649 20.859 1.669 1.00 0.00 H new ATOM 1119 N ASN A 77 6.344 16.804 2.384 1.00 0.00 N ATOM 1120 CA ASN A 77 7.612 16.100 2.304 1.00 0.00 C ATOM 1121 C ASN A 77 7.573 15.118 1.131 1.00 0.00 C ATOM 1122 O ASN A 77 6.542 14.500 0.868 1.00 0.00 O ATOM 1123 CB ASN A 77 7.880 15.300 3.580 1.00 0.00 C ATOM 1124 CG ASN A 77 8.366 16.214 4.707 1.00 0.00 C ATOM 1125 OD1 ASN A 77 9.501 16.662 4.732 1.00 0.00 O ATOM 1126 ND2 ASN A 77 7.447 16.464 5.635 1.00 0.00 N ATOM 0 H ASN A 77 5.793 16.597 3.217 1.00 0.00 H new ATOM 0 HA ASN A 77 8.400 16.841 2.170 1.00 0.00 H new ATOM 0 HB2 ASN A 77 6.970 14.787 3.890 1.00 0.00 H new ATOM 0 HB3 ASN A 77 8.627 14.532 3.382 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.674 17.063 6.429 1.00 0.00 H new ATOM 0 HD22 ASN A 77 6.515 16.057 5.553 1.00 0.00 H new ATOM 1133 N PRO A 78 8.738 15.002 0.439 1.00 0.00 N ATOM 1134 CA PRO A 78 8.846 14.105 -0.700 1.00 0.00 C ATOM 1135 C PRO A 78 8.931 12.647 -0.244 1.00 0.00 C ATOM 1136 O PRO A 78 9.794 12.293 0.557 1.00 0.00 O ATOM 1137 CB PRO A 78 10.086 14.567 -1.447 1.00 0.00 C ATOM 1138 CG PRO A 78 10.885 15.399 -0.457 1.00 0.00 C ATOM 1139 CD PRO A 78 9.979 15.717 0.721 1.00 0.00 C ATOM 0 HA PRO A 78 7.970 14.140 -1.348 1.00 0.00 H new ATOM 0 HB2 PRO A 78 10.668 13.716 -1.801 1.00 0.00 H new ATOM 0 HB3 PRO A 78 9.817 15.156 -2.324 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.767 14.853 -0.124 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.237 16.317 -0.927 1.00 0.00 H new ATOM 0 HD2 PRO A 78 10.421 15.387 1.661 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.806 16.790 0.809 1.00 0.00 H new ATOM 1147 N SER A 79 8.023 11.841 -0.774 1.00 0.00 N ATOM 1148 CA SER A 79 7.984 10.430 -0.432 1.00 0.00 C ATOM 1149 C SER A 79 8.788 9.622 -1.452 1.00 0.00 C ATOM 1150 O SER A 79 9.026 10.084 -2.567 1.00 0.00 O ATOM 1151 CB SER A 79 6.544 9.918 -0.366 1.00 0.00 C ATOM 1152 OG SER A 79 5.929 10.212 0.886 1.00 0.00 O ATOM 0 H SER A 79 7.308 12.139 -1.438 1.00 0.00 H new ATOM 0 HA SER A 79 8.430 10.305 0.555 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.962 10.368 -1.170 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.535 8.840 -0.530 1.00 0.00 H new ATOM 0 HG SER A 79 6.258 9.588 1.567 1.00 0.00 H new ATOM 1158 N THR A 80 9.185 8.429 -1.034 1.00 0.00 N ATOM 1159 CA THR A 80 9.958 7.552 -1.897 1.00 0.00 C ATOM 1160 C THR A 80 9.185 6.261 -2.175 1.00 0.00 C ATOM 1161 O THR A 80 8.906 5.491 -1.258 1.00 0.00 O ATOM 1162 CB THR A 80 11.318 7.316 -1.237 1.00 0.00 C ATOM 1163 OG1 THR A 80 11.835 8.627 -1.029 1.00 0.00 O ATOM 1164 CG2 THR A 80 12.325 6.664 -2.186 1.00 0.00 C ATOM 0 H THR A 80 8.986 8.049 -0.109 1.00 0.00 H new ATOM 0 HA THR A 80 10.129 8.008 -2.872 1.00 0.00 H new ATOM 0 HB THR A 80 11.189 6.686 -0.357 1.00 0.00 H new ATOM 0 HG1 THR A 80 12.715 8.568 -0.603 1.00 0.00 H new ATOM 0 HG21 THR A 80 13.273 6.519 -1.667 1.00 0.00 H new ATOM 0 HG22 THR A 80 11.941 5.699 -2.517 1.00 0.00 H new ATOM 0 HG23 THR A 80 12.480 7.309 -3.051 1.00 0.00 H new ATOM 1172 N VAL A 81 8.862 6.064 -3.445 1.00 0.00 N ATOM 1173 CA VAL A 81 8.127 4.880 -3.855 1.00 0.00 C ATOM 1174 C VAL A 81 9.109 3.835 -4.389 1.00 0.00 C ATOM 1175 O VAL A 81 9.349 3.760 -5.593 1.00 0.00 O ATOM 1176 CB VAL A 81 7.048 5.260 -4.872 1.00 0.00 C ATOM 1177 CG1 VAL A 81 6.549 4.027 -5.628 1.00 0.00 C ATOM 1178 CG2 VAL A 81 5.889 5.993 -4.193 1.00 0.00 C ATOM 0 H VAL A 81 9.096 6.705 -4.203 1.00 0.00 H new ATOM 0 HA VAL A 81 7.611 4.437 -3.003 1.00 0.00 H new ATOM 0 HB VAL A 81 7.495 5.940 -5.597 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.783 4.325 -6.344 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.381 3.564 -6.158 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.127 3.313 -4.921 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.136 6.252 -4.938 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.444 5.347 -3.436 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.260 6.903 -3.721 1.00 0.00 H new ATOM 1188 N GLY A 82 9.652 3.054 -3.466 1.00 0.00 N ATOM 1189 CA GLY A 82 10.602 2.017 -3.828 1.00 0.00 C ATOM 1190 C GLY A 82 12.041 2.523 -3.701 1.00 0.00 C ATOM 1191 O GLY A 82 12.627 2.471 -2.621 1.00 0.00 O ATOM 0 H GLY A 82 9.452 3.119 -2.468 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.460 1.148 -3.185 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.417 1.690 -4.851 1.00 0.00 H new ATOM 1195 N VAL A 83 12.567 2.999 -4.820 1.00 0.00 N ATOM 1196 CA VAL A 83 13.926 3.514 -4.847 1.00 0.00 C ATOM 1197 C VAL A 83 13.945 4.851 -5.590 1.00 0.00 C ATOM 1198 O VAL A 83 15.004 5.320 -6.005 1.00 0.00 O ATOM 1199 CB VAL A 83 14.867 2.475 -5.461 1.00 0.00 C ATOM 1200 CG1 VAL A 83 14.563 2.271 -6.947 1.00 0.00 C ATOM 1201 CG2 VAL A 83 16.330 2.868 -5.249 1.00 0.00 C ATOM 0 H VAL A 83 12.077 3.039 -5.714 1.00 0.00 H new ATOM 0 HA VAL A 83 14.285 3.700 -3.835 1.00 0.00 H new ATOM 0 HB VAL A 83 14.698 1.526 -4.951 1.00 0.00 H new ATOM 0 HG11 VAL A 83 15.246 1.528 -7.359 1.00 0.00 H new ATOM 0 HG12 VAL A 83 13.536 1.925 -7.064 1.00 0.00 H new ATOM 0 HG13 VAL A 83 14.691 3.215 -7.477 1.00 0.00 H new ATOM 0 HG21 VAL A 83 16.978 2.113 -5.695 1.00 0.00 H new ATOM 0 HG22 VAL A 83 16.520 3.833 -5.720 1.00 0.00 H new ATOM 0 HG23 VAL A 83 16.537 2.939 -4.181 1.00 0.00 H new ATOM 1211 N GLN A 84 12.761 5.428 -5.736 1.00 0.00 N ATOM 1212 CA GLN A 84 12.628 6.702 -6.422 1.00 0.00 C ATOM 1213 C GLN A 84 11.922 7.718 -5.523 1.00 0.00 C ATOM 1214 O GLN A 84 10.986 7.371 -4.804 1.00 0.00 O ATOM 1215 CB GLN A 84 11.886 6.535 -7.750 1.00 0.00 C ATOM 1216 CG GLN A 84 11.439 7.890 -8.302 1.00 0.00 C ATOM 1217 CD GLN A 84 11.275 7.835 -9.823 1.00 0.00 C ATOM 1218 OE1 GLN A 84 12.092 7.284 -10.542 1.00 0.00 O ATOM 1219 NE2 GLN A 84 10.176 8.436 -10.270 1.00 0.00 N ATOM 0 H GLN A 84 11.885 5.036 -5.391 1.00 0.00 H new ATOM 0 HA GLN A 84 13.626 7.078 -6.646 1.00 0.00 H new ATOM 0 HB2 GLN A 84 12.534 6.040 -8.473 1.00 0.00 H new ATOM 0 HB3 GLN A 84 11.018 5.892 -7.607 1.00 0.00 H new ATOM 0 HG2 GLN A 84 10.495 8.181 -7.841 1.00 0.00 H new ATOM 0 HG3 GLN A 84 12.171 8.653 -8.039 1.00 0.00 H new ATOM 0 HE21 GLN A 84 9.533 8.878 -9.613 1.00 0.00 H new ATOM 0 HE22 GLN A 84 9.976 8.454 -11.270 1.00 0.00 H new ATOM 1228 N GLU A 85 12.396 8.953 -5.593 1.00 0.00 N ATOM 1229 CA GLU A 85 11.821 10.022 -4.794 1.00 0.00 C ATOM 1230 C GLU A 85 10.638 10.656 -5.529 1.00 0.00 C ATOM 1231 O GLU A 85 10.627 10.720 -6.757 1.00 0.00 O ATOM 1232 CB GLU A 85 12.877 11.073 -4.445 1.00 0.00 C ATOM 1233 CG GLU A 85 12.230 12.313 -3.824 1.00 0.00 C ATOM 1234 CD GLU A 85 13.257 13.433 -3.640 1.00 0.00 C ATOM 1235 OE1 GLU A 85 13.828 13.854 -4.670 1.00 0.00 O ATOM 1236 OE2 GLU A 85 13.448 13.842 -2.475 1.00 0.00 O ATOM 0 H GLU A 85 13.172 9.237 -6.191 1.00 0.00 H new ATOM 0 HA GLU A 85 11.457 9.596 -3.859 1.00 0.00 H new ATOM 0 HB2 GLU A 85 13.601 10.649 -3.750 1.00 0.00 H new ATOM 0 HB3 GLU A 85 13.425 11.356 -5.344 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.417 12.661 -4.461 1.00 0.00 H new ATOM 0 HG3 GLU A 85 11.791 12.055 -2.860 1.00 0.00 H new ATOM 1243 N LEU A 86 9.671 11.110 -4.745 1.00 0.00 N ATOM 1244 CA LEU A 86 8.486 11.736 -5.305 1.00 0.00 C ATOM 1245 C LEU A 86 8.528 13.240 -5.024 1.00 0.00 C ATOM 1246 O LEU A 86 9.529 13.754 -4.527 1.00 0.00 O ATOM 1247 CB LEU A 86 7.221 11.049 -4.788 1.00 0.00 C ATOM 1248 CG LEU A 86 6.853 9.725 -5.461 1.00 0.00 C ATOM 1249 CD1 LEU A 86 5.432 9.297 -5.089 1.00 0.00 C ATOM 1250 CD2 LEU A 86 7.049 9.808 -6.976 1.00 0.00 C ATOM 0 H LEU A 86 9.684 11.057 -3.726 1.00 0.00 H new ATOM 0 HA LEU A 86 8.467 11.614 -6.388 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.340 10.870 -3.719 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.384 11.738 -4.904 1.00 0.00 H new ATOM 0 HG LEU A 86 7.528 8.954 -5.091 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.196 8.353 -5.581 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.361 9.171 -4.009 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.725 10.061 -5.412 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.781 8.854 -7.430 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.414 10.595 -7.382 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.092 10.034 -7.196 1.00 0.00 H new ATOM 1262 N LYS A 87 7.429 13.902 -5.354 1.00 0.00 N ATOM 1263 CA LYS A 87 7.328 15.336 -5.143 1.00 0.00 C ATOM 1264 C LYS A 87 5.894 15.689 -4.743 1.00 0.00 C ATOM 1265 O LYS A 87 5.007 14.838 -4.788 1.00 0.00 O ATOM 1266 CB LYS A 87 7.827 16.095 -6.374 1.00 0.00 C ATOM 1267 CG LYS A 87 9.202 16.716 -6.116 1.00 0.00 C ATOM 1268 CD LYS A 87 9.933 16.996 -7.431 1.00 0.00 C ATOM 1269 CE LYS A 87 11.393 16.546 -7.353 1.00 0.00 C ATOM 1270 NZ LYS A 87 12.049 16.685 -8.672 1.00 0.00 N ATOM 0 H LYS A 87 6.601 13.472 -5.766 1.00 0.00 H new ATOM 0 HA LYS A 87 7.974 15.646 -4.322 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.884 15.417 -7.225 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.115 16.877 -6.637 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.087 17.644 -5.555 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.799 16.043 -5.500 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.432 16.476 -8.248 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.889 18.062 -7.656 1.00 0.00 H new ATOM 0 HE2 LYS A 87 11.924 17.142 -6.611 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.443 15.508 -7.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 13.039 16.375 -8.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 11.551 16.097 -9.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 12.018 17.680 -8.972 1.00 0.00 H new ATOM 1284 N PRO A 88 5.707 16.978 -4.352 1.00 0.00 N ATOM 1285 CA PRO A 88 4.396 17.453 -3.944 1.00 0.00 C ATOM 1286 C PRO A 88 3.484 17.653 -5.156 1.00 0.00 C ATOM 1287 O PRO A 88 3.719 18.540 -5.975 1.00 0.00 O ATOM 1288 CB PRO A 88 4.663 18.742 -3.184 1.00 0.00 C ATOM 1289 CG PRO A 88 6.060 19.183 -3.590 1.00 0.00 C ATOM 1290 CD PRO A 88 6.735 18.013 -4.287 1.00 0.00 C ATOM 0 HA PRO A 88 3.867 16.737 -3.315 1.00 0.00 H new ATOM 0 HB2 PRO A 88 3.925 19.504 -3.435 1.00 0.00 H new ATOM 0 HB3 PRO A 88 4.602 18.581 -2.108 1.00 0.00 H new ATOM 0 HG2 PRO A 88 6.010 20.046 -4.255 1.00 0.00 H new ATOM 0 HG3 PRO A 88 6.633 19.488 -2.715 1.00 0.00 H new ATOM 0 HD2 PRO A 88 7.081 18.291 -5.283 1.00 0.00 H new ATOM 0 HD3 PRO A 88 7.608 17.670 -3.731 1.00 0.00 H new ATOM 1298 N GLY A 89 2.462 16.813 -5.232 1.00 0.00 N ATOM 1299 CA GLY A 89 1.513 16.885 -6.331 1.00 0.00 C ATOM 1300 C GLY A 89 1.847 15.856 -7.412 1.00 0.00 C ATOM 1301 O GLY A 89 1.160 15.774 -8.430 1.00 0.00 O ATOM 0 H GLY A 89 2.270 16.079 -4.550 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.504 16.710 -5.957 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.525 17.886 -6.761 1.00 0.00 H new ATOM 1305 N LEU A 90 2.901 15.096 -7.156 1.00 0.00 N ATOM 1306 CA LEU A 90 3.334 14.075 -8.095 1.00 0.00 C ATOM 1307 C LEU A 90 2.504 12.807 -7.882 1.00 0.00 C ATOM 1308 O LEU A 90 1.603 12.784 -7.044 1.00 0.00 O ATOM 1309 CB LEU A 90 4.843 13.848 -7.981 1.00 0.00 C ATOM 1310 CG LEU A 90 5.572 13.524 -9.287 1.00 0.00 C ATOM 1311 CD1 LEU A 90 5.040 14.379 -10.439 1.00 0.00 C ATOM 1312 CD2 LEU A 90 7.086 13.666 -9.119 1.00 0.00 C ATOM 0 H LEU A 90 3.468 15.167 -6.311 1.00 0.00 H new ATOM 0 HA LEU A 90 3.160 14.402 -9.120 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.293 14.741 -7.548 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.016 13.032 -7.279 1.00 0.00 H new ATOM 0 HG LEU A 90 5.372 12.483 -9.541 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.575 14.129 -11.355 1.00 0.00 H new ATOM 0 HD12 LEU A 90 3.976 14.184 -10.575 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.189 15.434 -10.208 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.580 13.430 -10.061 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.326 14.689 -8.830 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.432 12.980 -8.346 1.00 0.00 H new ATOM 1324 N SER A 91 2.837 11.784 -8.654 1.00 0.00 N ATOM 1325 CA SER A 91 2.134 10.516 -8.561 1.00 0.00 C ATOM 1326 C SER A 91 2.997 9.394 -9.142 1.00 0.00 C ATOM 1327 O SER A 91 3.562 9.538 -10.225 1.00 0.00 O ATOM 1328 CB SER A 91 0.787 10.578 -9.285 1.00 0.00 C ATOM 1329 OG SER A 91 0.527 11.873 -9.818 1.00 0.00 O ATOM 0 H SER A 91 3.585 11.807 -9.347 1.00 0.00 H new ATOM 0 HA SER A 91 1.941 10.309 -7.508 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.775 9.845 -10.091 1.00 0.00 H new ATOM 0 HB3 SER A 91 -0.009 10.304 -8.593 1.00 0.00 H new ATOM 0 HG SER A 91 -0.341 11.871 -10.273 1.00 0.00 H new ATOM 1335 N GLY A 92 3.072 8.302 -8.396 1.00 0.00 N ATOM 1336 CA GLY A 92 3.857 7.156 -8.823 1.00 0.00 C ATOM 1337 C GLY A 92 3.046 5.863 -8.712 1.00 0.00 C ATOM 1338 O GLY A 92 1.834 5.902 -8.503 1.00 0.00 O ATOM 0 H GLY A 92 2.602 8.186 -7.498 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.183 7.298 -9.853 1.00 0.00 H new ATOM 0 HA3 GLY A 92 4.756 7.079 -8.212 1.00 0.00 H new ATOM 1342 N SER A 93 3.747 4.748 -8.857 1.00 0.00 N ATOM 1343 CA SER A 93 3.107 3.446 -8.776 1.00 0.00 C ATOM 1344 C SER A 93 3.922 2.518 -7.873 1.00 0.00 C ATOM 1345 O SER A 93 5.137 2.671 -7.755 1.00 0.00 O ATOM 1346 CB SER A 93 2.943 2.826 -10.164 1.00 0.00 C ATOM 1347 OG SER A 93 4.184 2.734 -10.859 1.00 0.00 O ATOM 0 H SER A 93 4.752 4.719 -9.030 1.00 0.00 H new ATOM 0 HA SER A 93 2.114 3.579 -8.348 1.00 0.00 H new ATOM 0 HB2 SER A 93 2.507 1.832 -10.067 1.00 0.00 H new ATOM 0 HB3 SER A 93 2.244 3.425 -10.748 1.00 0.00 H new ATOM 0 HG SER A 93 4.036 2.331 -11.740 1.00 0.00 H new ATOM 1353 N LEU A 94 3.221 1.577 -7.258 1.00 0.00 N ATOM 1354 CA LEU A 94 3.864 0.625 -6.369 1.00 0.00 C ATOM 1355 C LEU A 94 3.493 -0.797 -6.797 1.00 0.00 C ATOM 1356 O LEU A 94 2.317 -1.106 -6.980 1.00 0.00 O ATOM 1357 CB LEU A 94 3.523 0.937 -4.911 1.00 0.00 C ATOM 1358 CG LEU A 94 4.685 1.411 -4.036 1.00 0.00 C ATOM 1359 CD1 LEU A 94 4.470 2.852 -3.571 1.00 0.00 C ATOM 1360 CD2 LEU A 94 4.911 0.457 -2.861 1.00 0.00 C ATOM 0 H LEU A 94 2.213 1.454 -7.358 1.00 0.00 H new ATOM 0 HA LEU A 94 4.948 0.708 -6.443 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.747 1.703 -4.896 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.096 0.042 -4.459 1.00 0.00 H new ATOM 0 HG LEU A 94 5.593 1.400 -4.639 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.311 3.163 -2.951 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.397 3.507 -4.439 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.549 2.914 -2.991 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.742 0.817 -2.255 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.009 0.412 -2.250 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.142 -0.538 -3.240 1.00 0.00 H new ATOM 1372 N SER A 95 4.518 -1.623 -6.943 1.00 0.00 N ATOM 1373 CA SER A 95 4.314 -3.004 -7.346 1.00 0.00 C ATOM 1374 C SER A 95 4.393 -3.922 -6.124 1.00 0.00 C ATOM 1375 O SER A 95 4.845 -3.507 -5.059 1.00 0.00 O ATOM 1376 CB SER A 95 5.342 -3.429 -8.396 1.00 0.00 C ATOM 1377 OG SER A 95 5.505 -2.444 -9.413 1.00 0.00 O ATOM 0 H SER A 95 5.492 -1.363 -6.790 1.00 0.00 H new ATOM 0 HA SER A 95 3.323 -3.087 -7.793 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.301 -3.612 -7.911 1.00 0.00 H new ATOM 0 HB3 SER A 95 5.030 -4.370 -8.849 1.00 0.00 H new ATOM 0 HG SER A 95 6.171 -2.752 -10.063 1.00 0.00 H new ATOM 1383 N LEU A 96 3.946 -5.154 -6.320 1.00 0.00 N ATOM 1384 CA LEU A 96 3.960 -6.135 -5.248 1.00 0.00 C ATOM 1385 C LEU A 96 5.398 -6.336 -4.765 1.00 0.00 C ATOM 1386 O LEU A 96 6.193 -6.997 -5.431 1.00 0.00 O ATOM 1387 CB LEU A 96 3.275 -7.428 -5.695 1.00 0.00 C ATOM 1388 CG LEU A 96 1.828 -7.615 -5.232 1.00 0.00 C ATOM 1389 CD1 LEU A 96 1.167 -8.787 -5.959 1.00 0.00 C ATOM 1390 CD2 LEU A 96 1.755 -7.769 -3.711 1.00 0.00 C ATOM 0 H LEU A 96 3.572 -5.495 -7.205 1.00 0.00 H new ATOM 0 HA LEU A 96 3.384 -5.775 -4.395 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.295 -7.469 -6.784 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.863 -8.271 -5.333 1.00 0.00 H new ATOM 0 HG LEU A 96 1.267 -6.717 -5.492 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.140 -8.898 -5.612 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.168 -8.597 -7.032 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.721 -9.703 -5.752 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.716 -7.900 -3.408 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.335 -8.640 -3.405 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.162 -6.877 -3.235 1.00 0.00 H new ATOM 1402 N GLY A 97 5.688 -5.753 -3.611 1.00 0.00 N ATOM 1403 CA GLY A 97 7.016 -5.860 -3.032 1.00 0.00 C ATOM 1404 C GLY A 97 7.652 -4.479 -2.861 1.00 0.00 C ATOM 1405 O GLY A 97 8.406 -4.251 -1.915 1.00 0.00 O ATOM 0 H GLY A 97 5.026 -5.205 -3.062 1.00 0.00 H new ATOM 0 HA2 GLY A 97 6.956 -6.359 -2.065 1.00 0.00 H new ATOM 0 HA3 GLY A 97 7.647 -6.478 -3.671 1.00 0.00 H new ATOM 1409 N ASP A 98 7.326 -3.593 -3.790 1.00 0.00 N ATOM 1410 CA ASP A 98 7.857 -2.241 -3.755 1.00 0.00 C ATOM 1411 C ASP A 98 7.630 -1.646 -2.363 1.00 0.00 C ATOM 1412 O ASP A 98 6.725 -2.065 -1.644 1.00 0.00 O ATOM 1413 CB ASP A 98 7.149 -1.345 -4.773 1.00 0.00 C ATOM 1414 CG ASP A 98 7.747 -1.369 -6.181 1.00 0.00 C ATOM 1415 OD1 ASP A 98 7.826 -2.481 -6.745 1.00 0.00 O ATOM 1416 OD2 ASP A 98 8.110 -0.274 -6.662 1.00 0.00 O ATOM 0 H ASP A 98 6.700 -3.785 -4.572 1.00 0.00 H new ATOM 0 HA ASP A 98 8.919 -2.289 -3.994 1.00 0.00 H new ATOM 0 HB2 ASP A 98 6.103 -1.645 -4.834 1.00 0.00 H new ATOM 0 HB3 ASP A 98 7.165 -0.319 -4.405 1.00 0.00 H new ATOM 1421 N VAL A 99 8.469 -0.678 -2.025 1.00 0.00 N ATOM 1422 CA VAL A 99 8.373 -0.021 -0.733 1.00 0.00 C ATOM 1423 C VAL A 99 7.751 1.365 -0.915 1.00 0.00 C ATOM 1424 O VAL A 99 7.734 1.901 -2.022 1.00 0.00 O ATOM 1425 CB VAL A 99 9.748 0.025 -0.064 1.00 0.00 C ATOM 1426 CG1 VAL A 99 9.693 0.804 1.251 1.00 0.00 C ATOM 1427 CG2 VAL A 99 10.297 -1.386 0.157 1.00 0.00 C ATOM 0 H VAL A 99 9.219 -0.333 -2.624 1.00 0.00 H new ATOM 0 HA VAL A 99 7.721 -0.586 -0.066 1.00 0.00 H new ATOM 0 HB VAL A 99 10.429 0.549 -0.735 1.00 0.00 H new ATOM 0 HG11 VAL A 99 10.684 0.821 1.705 1.00 0.00 H new ATOM 0 HG12 VAL A 99 9.366 1.825 1.056 1.00 0.00 H new ATOM 0 HG13 VAL A 99 8.990 0.322 1.931 1.00 0.00 H new ATOM 0 HG21 VAL A 99 11.275 -1.325 0.634 1.00 0.00 H new ATOM 0 HG22 VAL A 99 9.615 -1.946 0.798 1.00 0.00 H new ATOM 0 HG23 VAL A 99 10.392 -1.894 -0.803 1.00 0.00 H new ATOM 1437 N LEU A 100 7.254 1.906 0.188 1.00 0.00 N ATOM 1438 CA LEU A 100 6.633 3.219 0.163 1.00 0.00 C ATOM 1439 C LEU A 100 6.992 3.972 1.446 1.00 0.00 C ATOM 1440 O LEU A 100 6.269 3.895 2.438 1.00 0.00 O ATOM 1441 CB LEU A 100 5.127 3.095 -0.076 1.00 0.00 C ATOM 1442 CG LEU A 100 4.335 4.404 -0.061 1.00 0.00 C ATOM 1443 CD1 LEU A 100 4.848 5.366 -1.134 1.00 0.00 C ATOM 1444 CD2 LEU A 100 2.834 4.139 -0.200 1.00 0.00 C ATOM 0 H LEU A 100 7.269 1.459 1.105 1.00 0.00 H new ATOM 0 HA LEU A 100 7.017 3.807 -0.671 1.00 0.00 H new ATOM 0 HB2 LEU A 100 4.971 2.610 -1.040 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.712 2.434 0.684 1.00 0.00 H new ATOM 0 HG LEU A 100 4.489 4.885 0.905 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.269 6.289 -1.102 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.898 5.591 -0.949 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.743 4.905 -2.116 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.295 5.086 -0.186 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.641 3.625 -1.142 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.496 3.517 0.629 1.00 0.00 H new ATOM 1456 N TYR A 101 8.108 4.683 1.384 1.00 0.00 N ATOM 1457 CA TYR A 101 8.572 5.449 2.528 1.00 0.00 C ATOM 1458 C TYR A 101 7.595 6.577 2.864 1.00 0.00 C ATOM 1459 O TYR A 101 7.606 7.626 2.221 1.00 0.00 O ATOM 1460 CB TYR A 101 9.912 6.059 2.111 1.00 0.00 C ATOM 1461 CG TYR A 101 11.037 5.036 1.948 1.00 0.00 C ATOM 1462 CD1 TYR A 101 11.780 4.646 3.044 1.00 0.00 C ATOM 1463 CD2 TYR A 101 11.310 4.502 0.705 1.00 0.00 C ATOM 1464 CE1 TYR A 101 12.839 3.683 2.890 1.00 0.00 C ATOM 1465 CE2 TYR A 101 12.369 3.539 0.551 1.00 0.00 C ATOM 1466 CZ TYR A 101 13.081 3.177 1.651 1.00 0.00 C ATOM 1467 OH TYR A 101 14.082 2.267 1.506 1.00 0.00 O ATOM 0 H TYR A 101 8.705 4.745 0.559 1.00 0.00 H new ATOM 0 HA TYR A 101 8.658 4.811 3.408 1.00 0.00 H new ATOM 0 HB2 TYR A 101 9.780 6.592 1.169 1.00 0.00 H new ATOM 0 HB3 TYR A 101 10.211 6.797 2.855 1.00 0.00 H new ATOM 0 HD1 TYR A 101 11.567 5.063 4.017 1.00 0.00 H new ATOM 0 HD2 TYR A 101 10.729 4.807 -0.153 1.00 0.00 H new ATOM 0 HE1 TYR A 101 13.428 3.369 3.739 1.00 0.00 H new ATOM 0 HE2 TYR A 101 12.593 3.114 -0.416 1.00 0.00 H new ATOM 0 HH TYR A 101 14.140 1.992 0.567 1.00 0.00 H new ATOM 1477 N LEU A 102 6.772 6.324 3.872 1.00 0.00 N ATOM 1478 CA LEU A 102 5.790 7.305 4.302 1.00 0.00 C ATOM 1479 C LEU A 102 6.378 8.709 4.149 1.00 0.00 C ATOM 1480 O LEU A 102 5.824 9.544 3.437 1.00 0.00 O ATOM 1481 CB LEU A 102 5.305 6.992 5.718 1.00 0.00 C ATOM 1482 CG LEU A 102 3.825 6.628 5.855 1.00 0.00 C ATOM 1483 CD1 LEU A 102 3.657 5.238 6.472 1.00 0.00 C ATOM 1484 CD2 LEU A 102 3.067 7.699 6.642 1.00 0.00 C ATOM 0 H LEU A 102 6.765 5.453 4.403 1.00 0.00 H new ATOM 0 HA LEU A 102 4.903 7.260 3.669 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.899 6.167 6.110 1.00 0.00 H new ATOM 0 HB3 LEU A 102 5.506 7.858 6.349 1.00 0.00 H new ATOM 0 HG LEU A 102 3.389 6.593 4.857 1.00 0.00 H new ATOM 0 HD11 LEU A 102 2.596 5.004 6.558 1.00 0.00 H new ATOM 0 HD12 LEU A 102 4.142 4.497 5.836 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.114 5.222 7.462 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.018 7.415 6.725 1.00 0.00 H new ATOM 0 HD22 LEU A 102 3.498 7.791 7.639 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.145 8.655 6.124 1.00 0.00 H new ATOM 1496 N VAL A 103 7.494 8.926 4.831 1.00 0.00 N ATOM 1497 CA VAL A 103 8.163 10.215 4.781 1.00 0.00 C ATOM 1498 C VAL A 103 9.573 10.075 5.359 1.00 0.00 C ATOM 1499 O VAL A 103 9.925 9.028 5.900 1.00 0.00 O ATOM 1500 CB VAL A 103 7.322 11.269 5.503 1.00 0.00 C ATOM 1501 CG1 VAL A 103 7.223 10.961 6.998 1.00 0.00 C ATOM 1502 CG2 VAL A 103 7.884 12.673 5.268 1.00 0.00 C ATOM 0 H VAL A 103 7.951 8.231 5.421 1.00 0.00 H new ATOM 0 HA VAL A 103 8.267 10.553 3.750 1.00 0.00 H new ATOM 0 HB VAL A 103 6.315 11.237 5.087 1.00 0.00 H new ATOM 0 HG11 VAL A 103 6.620 11.725 7.488 1.00 0.00 H new ATOM 0 HG12 VAL A 103 6.757 9.986 7.138 1.00 0.00 H new ATOM 0 HG13 VAL A 103 8.222 10.952 7.435 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.268 13.404 5.792 1.00 0.00 H new ATOM 0 HG22 VAL A 103 8.906 12.724 5.644 1.00 0.00 H new ATOM 0 HG23 VAL A 103 7.879 12.893 4.200 1.00 0.00 H new ATOM 1512 N ASN A 104 10.341 11.146 5.224 1.00 0.00 N ATOM 1513 CA ASN A 104 11.705 11.156 5.726 1.00 0.00 C ATOM 1514 C ASN A 104 12.361 9.805 5.435 1.00 0.00 C ATOM 1515 O ASN A 104 13.007 9.224 6.306 1.00 0.00 O ATOM 1516 CB ASN A 104 11.733 11.379 7.240 1.00 0.00 C ATOM 1517 CG ASN A 104 10.584 12.288 7.681 1.00 0.00 C ATOM 1518 OD1 ASN A 104 9.754 11.929 8.501 1.00 0.00 O ATOM 1519 ND2 ASN A 104 10.583 13.481 7.095 1.00 0.00 N ATOM 0 H ASN A 104 10.045 12.013 4.775 1.00 0.00 H new ATOM 0 HA ASN A 104 12.240 11.967 5.232 1.00 0.00 H new ATOM 0 HB2 ASN A 104 11.661 10.420 7.754 1.00 0.00 H new ATOM 0 HB3 ASN A 104 12.685 11.824 7.528 1.00 0.00 H new ATOM 0 HD21 ASN A 104 9.857 14.161 7.323 1.00 0.00 H new ATOM 0 HD22 ASN A 104 11.308 13.717 6.417 1.00 0.00 H new ATOM 1526 N GLY A 105 12.173 9.345 4.207 1.00 0.00 N ATOM 1527 CA GLY A 105 12.739 8.073 3.790 1.00 0.00 C ATOM 1528 C GLY A 105 12.691 7.052 4.928 1.00 0.00 C ATOM 1529 O GLY A 105 13.540 6.166 5.009 1.00 0.00 O ATOM 0 H GLY A 105 11.637 9.830 3.487 1.00 0.00 H new ATOM 0 HA2 GLY A 105 12.189 7.691 2.930 1.00 0.00 H new ATOM 0 HA3 GLY A 105 13.771 8.218 3.470 1.00 0.00 H new ATOM 1533 N LEU A 106 11.688 7.210 5.780 1.00 0.00 N ATOM 1534 CA LEU A 106 11.518 6.312 6.910 1.00 0.00 C ATOM 1535 C LEU A 106 10.116 5.702 6.864 1.00 0.00 C ATOM 1536 O LEU A 106 9.397 5.862 5.879 1.00 0.00 O ATOM 1537 CB LEU A 106 11.831 7.037 8.221 1.00 0.00 C ATOM 1538 CG LEU A 106 13.307 7.099 8.617 1.00 0.00 C ATOM 1539 CD1 LEU A 106 13.470 7.622 10.046 1.00 0.00 C ATOM 1540 CD2 LEU A 106 13.984 5.740 8.424 1.00 0.00 C ATOM 0 H LEU A 106 10.985 7.946 5.710 1.00 0.00 H new ATOM 0 HA LEU A 106 12.227 5.486 6.852 1.00 0.00 H new ATOM 0 HB2 LEU A 106 11.452 8.056 8.149 1.00 0.00 H new ATOM 0 HB3 LEU A 106 11.280 6.548 9.024 1.00 0.00 H new ATOM 0 HG LEU A 106 13.808 7.806 7.956 1.00 0.00 H new ATOM 0 HD11 LEU A 106 14.529 7.656 10.302 1.00 0.00 H new ATOM 0 HD12 LEU A 106 13.047 8.624 10.117 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.950 6.959 10.738 1.00 0.00 H new ATOM 0 HD21 LEU A 106 15.033 5.812 8.713 1.00 0.00 H new ATOM 0 HD22 LEU A 106 13.487 4.994 9.045 1.00 0.00 H new ATOM 0 HD23 LEU A 106 13.915 5.445 7.377 1.00 0.00 H new ATOM 1552 N TYR A 107 9.769 5.014 7.942 1.00 0.00 N ATOM 1553 CA TYR A 107 8.466 4.378 8.037 1.00 0.00 C ATOM 1554 C TYR A 107 8.049 3.779 6.693 1.00 0.00 C ATOM 1555 O TYR A 107 7.004 4.134 6.148 1.00 0.00 O ATOM 1556 CB TYR A 107 7.483 5.487 8.415 1.00 0.00 C ATOM 1557 CG TYR A 107 8.020 6.466 9.462 1.00 0.00 C ATOM 1558 CD1 TYR A 107 8.436 6.000 10.693 1.00 0.00 C ATOM 1559 CD2 TYR A 107 8.089 7.814 9.175 1.00 0.00 C ATOM 1560 CE1 TYR A 107 8.942 6.920 11.678 1.00 0.00 C ATOM 1561 CE2 TYR A 107 8.595 8.734 10.160 1.00 0.00 C ATOM 1562 CZ TYR A 107 8.996 8.242 11.363 1.00 0.00 C ATOM 1563 OH TYR A 107 9.474 9.112 12.293 1.00 0.00 O ATOM 0 H TYR A 107 10.368 4.883 8.757 1.00 0.00 H new ATOM 0 HA TYR A 107 8.486 3.569 8.768 1.00 0.00 H new ATOM 0 HB2 TYR A 107 7.216 6.043 7.516 1.00 0.00 H new ATOM 0 HB3 TYR A 107 6.567 5.033 8.793 1.00 0.00 H new ATOM 0 HD1 TYR A 107 8.382 4.945 10.917 1.00 0.00 H new ATOM 0 HD2 TYR A 107 7.764 8.179 8.212 1.00 0.00 H new ATOM 0 HE1 TYR A 107 9.271 6.569 12.645 1.00 0.00 H new ATOM 0 HE2 TYR A 107 8.655 9.791 9.948 1.00 0.00 H new ATOM 0 HH TYR A 107 10.158 9.684 11.885 1.00 0.00 H new ATOM 1573 N PRO A 108 8.908 2.857 6.182 1.00 0.00 N ATOM 1574 CA PRO A 108 8.640 2.206 4.912 1.00 0.00 C ATOM 1575 C PRO A 108 7.541 1.151 5.058 1.00 0.00 C ATOM 1576 O PRO A 108 7.103 0.856 6.169 1.00 0.00 O ATOM 1577 CB PRO A 108 9.973 1.618 4.481 1.00 0.00 C ATOM 1578 CG PRO A 108 10.828 1.559 5.737 1.00 0.00 C ATOM 1579 CD PRO A 108 10.155 2.412 6.799 1.00 0.00 C ATOM 0 HA PRO A 108 8.262 2.896 4.158 1.00 0.00 H new ATOM 0 HB2 PRO A 108 9.841 0.625 4.051 1.00 0.00 H new ATOM 0 HB3 PRO A 108 10.444 2.236 3.717 1.00 0.00 H new ATOM 0 HG2 PRO A 108 10.929 0.530 6.082 1.00 0.00 H new ATOM 0 HG3 PRO A 108 11.833 1.927 5.532 1.00 0.00 H new ATOM 0 HD2 PRO A 108 9.965 1.838 7.706 1.00 0.00 H new ATOM 0 HD3 PRO A 108 10.781 3.258 7.082 1.00 0.00 H new ATOM 1587 N LEU A 109 7.127 0.612 3.921 1.00 0.00 N ATOM 1588 CA LEU A 109 6.088 -0.404 3.908 1.00 0.00 C ATOM 1589 C LEU A 109 6.364 -1.395 2.776 1.00 0.00 C ATOM 1590 O LEU A 109 7.246 -1.169 1.949 1.00 0.00 O ATOM 1591 CB LEU A 109 4.705 0.246 3.834 1.00 0.00 C ATOM 1592 CG LEU A 109 4.246 0.991 5.089 1.00 0.00 C ATOM 1593 CD1 LEU A 109 4.693 2.454 5.052 1.00 0.00 C ATOM 1594 CD2 LEU A 109 2.734 0.859 5.282 1.00 0.00 C ATOM 0 H LEU A 109 7.492 0.860 3.001 1.00 0.00 H new ATOM 0 HA LEU A 109 6.098 -0.972 4.838 1.00 0.00 H new ATOM 0 HB2 LEU A 109 4.698 0.945 2.998 1.00 0.00 H new ATOM 0 HB3 LEU A 109 3.973 -0.529 3.607 1.00 0.00 H new ATOM 0 HG LEU A 109 4.723 0.530 5.954 1.00 0.00 H new ATOM 0 HD11 LEU A 109 4.354 2.961 5.955 1.00 0.00 H new ATOM 0 HD12 LEU A 109 5.781 2.501 4.996 1.00 0.00 H new ATOM 0 HD13 LEU A 109 4.263 2.944 4.178 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.434 1.397 6.181 1.00 0.00 H new ATOM 0 HD22 LEU A 109 2.219 1.279 4.418 1.00 0.00 H new ATOM 0 HD23 LEU A 109 2.471 -0.194 5.385 1.00 0.00 H new ATOM 1606 N THR A 110 5.592 -2.472 2.775 1.00 0.00 N ATOM 1607 CA THR A 110 5.742 -3.499 1.758 1.00 0.00 C ATOM 1608 C THR A 110 4.382 -3.855 1.155 1.00 0.00 C ATOM 1609 O THR A 110 3.506 -4.369 1.850 1.00 0.00 O ATOM 1610 CB THR A 110 6.456 -4.694 2.394 1.00 0.00 C ATOM 1611 OG1 THR A 110 7.674 -4.146 2.891 1.00 0.00 O ATOM 1612 CG2 THR A 110 6.907 -5.725 1.358 1.00 0.00 C ATOM 0 H THR A 110 4.861 -2.656 3.462 1.00 0.00 H new ATOM 0 HA THR A 110 6.349 -3.145 0.925 1.00 0.00 H new ATOM 0 HB THR A 110 5.793 -5.171 3.116 1.00 0.00 H new ATOM 0 HG1 THR A 110 8.199 -4.853 3.321 1.00 0.00 H new ATOM 0 HG21 THR A 110 7.408 -6.552 1.862 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.039 -6.102 0.818 1.00 0.00 H new ATOM 0 HG23 THR A 110 7.597 -5.257 0.655 1.00 0.00 H new ATOM 1620 N LEU A 111 4.247 -3.568 -0.131 1.00 0.00 N ATOM 1621 CA LEU A 111 3.008 -3.852 -0.836 1.00 0.00 C ATOM 1622 C LEU A 111 2.854 -5.365 -0.999 1.00 0.00 C ATOM 1623 O LEU A 111 3.626 -5.997 -1.720 1.00 0.00 O ATOM 1624 CB LEU A 111 2.955 -3.082 -2.157 1.00 0.00 C ATOM 1625 CG LEU A 111 1.851 -3.498 -3.132 1.00 0.00 C ATOM 1626 CD1 LEU A 111 0.496 -3.573 -2.426 1.00 0.00 C ATOM 1627 CD2 LEU A 111 1.814 -2.570 -4.347 1.00 0.00 C ATOM 0 H LEU A 111 4.975 -3.141 -0.704 1.00 0.00 H new ATOM 0 HA LEU A 111 2.152 -3.505 -0.257 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.834 -2.022 -1.932 1.00 0.00 H new ATOM 0 HB3 LEU A 111 3.916 -3.194 -2.659 1.00 0.00 H new ATOM 0 HG LEU A 111 2.079 -4.499 -3.499 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.271 -3.871 -3.141 1.00 0.00 H new ATOM 0 HD12 LEU A 111 0.545 -4.306 -1.621 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.247 -2.596 -2.012 1.00 0.00 H new ATOM 0 HD21 LEU A 111 1.021 -2.888 -5.024 1.00 0.00 H new ATOM 0 HD22 LEU A 111 1.623 -1.548 -4.019 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.772 -2.611 -4.866 1.00 0.00 H new ATOM 1639 N ARG A 112 1.853 -5.903 -0.318 1.00 0.00 N ATOM 1640 CA ARG A 112 1.589 -7.331 -0.379 1.00 0.00 C ATOM 1641 C ARG A 112 0.228 -7.591 -1.028 1.00 0.00 C ATOM 1642 O ARG A 112 -0.619 -6.700 -1.081 1.00 0.00 O ATOM 1643 CB ARG A 112 1.608 -7.954 1.018 1.00 0.00 C ATOM 1644 CG ARG A 112 3.022 -7.949 1.601 1.00 0.00 C ATOM 1645 CD ARG A 112 3.909 -8.978 0.897 1.00 0.00 C ATOM 1646 NE ARG A 112 5.227 -9.053 1.568 1.00 0.00 N ATOM 1647 CZ ARG A 112 6.072 -10.086 1.449 1.00 0.00 C ATOM 1648 NH1 ARG A 112 5.743 -11.137 0.686 1.00 0.00 N ATOM 1649 NH2 ARG A 112 7.247 -10.068 2.094 1.00 0.00 N ATOM 0 H ARG A 112 1.215 -5.376 0.279 1.00 0.00 H new ATOM 0 HA ARG A 112 2.375 -7.789 -0.979 1.00 0.00 H new ATOM 0 HB2 ARG A 112 0.938 -7.401 1.676 1.00 0.00 H new ATOM 0 HB3 ARG A 112 1.235 -8.977 0.969 1.00 0.00 H new ATOM 0 HG2 ARG A 112 3.459 -6.956 1.497 1.00 0.00 H new ATOM 0 HG3 ARG A 112 2.980 -8.169 2.668 1.00 0.00 H new ATOM 0 HD2 ARG A 112 3.428 -9.956 0.912 1.00 0.00 H new ATOM 0 HD3 ARG A 112 4.039 -8.703 -0.150 1.00 0.00 H new ATOM 0 HE ARG A 112 5.509 -8.270 2.157 1.00 0.00 H new ATOM 0 HH11 ARG A 112 4.849 -11.151 0.195 1.00 0.00 H new ATOM 0 HH12 ARG A 112 6.387 -11.923 0.596 1.00 0.00 H new ATOM 0 HH21 ARG A 112 7.498 -9.268 2.675 1.00 0.00 H new ATOM 0 HH22 ARG A 112 7.890 -10.854 2.004 1.00 0.00 H new ATOM 1663 N TRP A 113 0.060 -8.815 -1.505 1.00 0.00 N ATOM 1664 CA TRP A 113 -1.184 -9.204 -2.148 1.00 0.00 C ATOM 1665 C TRP A 113 -1.632 -10.537 -1.545 1.00 0.00 C ATOM 1666 O TRP A 113 -0.815 -11.432 -1.334 1.00 0.00 O ATOM 1667 CB TRP A 113 -1.021 -9.260 -3.668 1.00 0.00 C ATOM 1668 CG TRP A 113 -2.011 -10.194 -4.366 1.00 0.00 C ATOM 1669 CD1 TRP A 113 -2.121 -11.524 -4.240 1.00 0.00 C ATOM 1670 CD2 TRP A 113 -3.034 -9.813 -5.311 1.00 0.00 C ATOM 1671 NE1 TRP A 113 -3.135 -12.026 -5.030 1.00 0.00 N ATOM 1672 CE2 TRP A 113 -3.708 -10.952 -5.702 1.00 0.00 C ATOM 1673 CE3 TRP A 113 -3.378 -8.548 -5.817 1.00 0.00 C ATOM 1674 CZ2 TRP A 113 -4.767 -10.940 -6.617 1.00 0.00 C ATOM 1675 CZ3 TRP A 113 -4.439 -8.552 -6.731 1.00 0.00 C ATOM 1676 CH2 TRP A 113 -5.128 -9.690 -7.135 1.00 0.00 C ATOM 0 H TRP A 113 0.765 -9.551 -1.459 1.00 0.00 H new ATOM 0 HA TRP A 113 -1.961 -8.461 -1.966 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -1.138 -8.255 -4.073 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -0.006 -9.582 -3.903 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -1.494 -12.127 -3.600 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -3.413 -13.004 -5.107 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -2.865 -7.644 -5.524 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -5.278 -11.846 -6.908 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -4.743 -7.605 -7.151 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -5.938 -9.610 -7.845 1.00 0.00 H new ATOM 1687 N SER A 114 -2.927 -10.627 -1.285 1.00 0.00 N ATOM 1688 CA SER A 114 -3.493 -11.836 -0.710 1.00 0.00 C ATOM 1689 C SER A 114 -3.786 -12.853 -1.815 1.00 0.00 C ATOM 1690 O SER A 114 -4.399 -12.516 -2.828 1.00 0.00 O ATOM 1691 CB SER A 114 -4.768 -11.527 0.078 1.00 0.00 C ATOM 1692 OG SER A 114 -5.680 -12.622 0.069 1.00 0.00 O ATOM 0 H SER A 114 -3.602 -9.883 -1.462 1.00 0.00 H new ATOM 0 HA SER A 114 -2.764 -12.259 -0.019 1.00 0.00 H new ATOM 0 HB2 SER A 114 -4.507 -11.281 1.107 1.00 0.00 H new ATOM 0 HB3 SER A 114 -5.253 -10.648 -0.347 1.00 0.00 H new ATOM 0 HG SER A 114 -6.480 -12.386 0.584 1.00 0.00 H new