USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 583 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 82 LYS NZ :NH3+ 153:sc= 0 (180deg=0) USER MOD Set 1.2: A 84 GLN : amide:sc= 0.00967 X(o=-1.9,f=-1.9) USER MOD Set 1.3: A 123 ASN : amide:sc= -1.88! C(o=-1.9!,f=-3.2!) USER MOD Set 2.1: A 117 SER OG : rot 120:sc= -2.07 USER MOD Set 2.2: A 119 THR OG1 : rot 180:sc= 0.0381 USER MOD Set 3.1: A 109 SER OG : rot 180:sc= 0.00394 USER MOD Set 3.2: A 125 THR OG1 : rot 128:sc= -0.833 USER MOD Single : A 87 ASN : amide:sc= -2.85! C(o=-2.9!,f=-2.8!) USER MOD Single : A 91 HIS : no HD1:sc= -0.357 X(o=-0.36,f=-0.016) USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 104 TYR OH : rot 150:sc= -0.035 USER MOD Single : A 110 CYS SG : rot 180:sc= -0.0282 USER MOD Single : A 112 GLN : amide:sc=-0.00979 K(o=-0.0098,f=-1) USER MOD Single : A 114 ASN : amide:sc= -0.903! C(o=-0.9!,f=-0.89!) USER MOD Single : A 115 THR OG1 : rot -42:sc= 0.84 USER MOD Single : A 126 TYR OH : rot -11:sc= 0.882 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot -139:sc= 1.2 USER MOD Single : A 129 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00398) USER MOD Single : A 131 GLN : amide:sc= -5.91! C(o=-5.9!,f=-9.9!) USER MOD Single : A 134 GLN : amide:sc= -2.66 K(o=-2.7,f=-1.5) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 ASN : amide:sc= -1.27 K(o=-1.3,f=-2.3!) USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 146 ASN : amide:sc= -0.0206 X(o=-0.021,f=-0.021) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 LYS NZ :NH3+ -120:sc= -1.11 (180deg=-4.58!) USER MOD Single : A 153 TYR OH : rot 30:sc= -0.0141 USER MOD ----------------------------------------------------------------- ATOM 237 N LYS A 82 9.634 -0.518 -3.661 1.00 0.00 N ATOM 238 CA LYS A 82 8.844 -0.589 -2.437 1.00 0.00 C ATOM 239 C LYS A 82 7.493 0.094 -2.621 1.00 0.00 C ATOM 240 O LYS A 82 7.318 0.914 -3.523 1.00 0.00 O ATOM 241 CB LYS A 82 9.603 0.060 -1.278 1.00 0.00 C ATOM 242 CG LYS A 82 9.285 -0.552 0.076 1.00 0.00 C ATOM 243 CD LYS A 82 9.504 0.442 1.203 1.00 0.00 C ATOM 244 CE LYS A 82 10.933 0.963 1.217 1.00 0.00 C ATOM 245 NZ LYS A 82 11.380 1.320 2.592 1.00 0.00 N ATOM 0 HA LYS A 82 8.671 -1.640 -2.206 1.00 0.00 H new ATOM 0 HB2 LYS A 82 10.674 -0.025 -1.463 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.367 1.124 -1.251 1.00 0.00 H new ATOM 0 HG2 LYS A 82 8.250 -0.894 0.088 1.00 0.00 H new ATOM 0 HG3 LYS A 82 9.912 -1.429 0.236 1.00 0.00 H new ATOM 0 HD2 LYS A 82 8.812 1.277 1.093 1.00 0.00 H new ATOM 0 HD3 LYS A 82 9.280 -0.034 2.158 1.00 0.00 H new ATOM 0 HE2 LYS A 82 11.600 0.206 0.804 1.00 0.00 H new ATOM 0 HE3 LYS A 82 11.007 1.839 0.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 12.414 1.227 2.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 11.107 2.301 2.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 10.932 0.681 3.280 1.00 0.00 H new ATOM 259 N LEU A 83 6.540 -0.248 -1.760 1.00 0.00 N ATOM 260 CA LEU A 83 5.204 0.334 -1.827 1.00 0.00 C ATOM 261 C LEU A 83 4.943 1.236 -0.625 1.00 0.00 C ATOM 262 O LEU A 83 5.187 0.849 0.517 1.00 0.00 O ATOM 263 CB LEU A 83 4.148 -0.771 -1.889 1.00 0.00 C ATOM 264 CG LEU A 83 3.951 -1.435 -3.253 1.00 0.00 C ATOM 265 CD1 LEU A 83 3.221 -2.760 -3.100 1.00 0.00 C ATOM 266 CD2 LEU A 83 3.190 -0.509 -4.191 1.00 0.00 C ATOM 0 H LEU A 83 6.668 -0.925 -1.008 1.00 0.00 H new ATOM 0 HA LEU A 83 5.142 0.938 -2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.415 -1.542 -1.167 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.194 -0.352 -1.570 1.00 0.00 H new ATOM 0 HG LEU A 83 4.932 -1.632 -3.686 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.090 -3.218 -4.080 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.804 -3.425 -2.464 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.245 -2.587 -2.646 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.059 -0.997 -5.157 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.213 -0.281 -3.764 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.752 0.415 -4.325 1.00 0.00 H new ATOM 278 N GLN A 84 4.443 2.438 -0.892 1.00 0.00 N ATOM 279 CA GLN A 84 4.147 3.394 0.168 1.00 0.00 C ATOM 280 C GLN A 84 2.642 3.520 0.384 1.00 0.00 C ATOM 281 O GLN A 84 1.884 3.720 -0.566 1.00 0.00 O ATOM 282 CB GLN A 84 4.742 4.763 -0.169 1.00 0.00 C ATOM 283 CG GLN A 84 4.228 5.885 0.719 1.00 0.00 C ATOM 284 CD GLN A 84 5.213 7.031 0.838 1.00 0.00 C ATOM 285 OE1 GLN A 84 4.986 8.118 0.305 1.00 0.00 O ATOM 286 NE2 GLN A 84 6.314 6.795 1.541 1.00 0.00 N ATOM 0 H GLN A 84 4.235 2.773 -1.833 1.00 0.00 H new ATOM 0 HA GLN A 84 4.598 3.026 1.090 1.00 0.00 H new ATOM 0 HB2 GLN A 84 5.827 4.710 -0.082 1.00 0.00 H new ATOM 0 HB3 GLN A 84 4.517 5.002 -1.209 1.00 0.00 H new ATOM 0 HG2 GLN A 84 3.287 6.260 0.317 1.00 0.00 H new ATOM 0 HG3 GLN A 84 4.015 5.489 1.712 1.00 0.00 H new ATOM 0 HE21 GLN A 84 6.462 5.879 1.966 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.012 7.529 1.657 1.00 0.00 H new ATOM 295 N ILE A 85 2.217 3.401 1.637 1.00 0.00 N ATOM 296 CA ILE A 85 0.803 3.502 1.976 1.00 0.00 C ATOM 297 C ILE A 85 0.528 4.740 2.823 1.00 0.00 C ATOM 298 O ILE A 85 1.244 5.018 3.785 1.00 0.00 O ATOM 299 CB ILE A 85 0.316 2.254 2.736 1.00 0.00 C ATOM 300 CG1 ILE A 85 0.607 0.990 1.925 1.00 0.00 C ATOM 301 CG2 ILE A 85 -1.171 2.366 3.039 1.00 0.00 C ATOM 302 CD1 ILE A 85 -0.017 -0.259 2.508 1.00 0.00 C ATOM 0 H ILE A 85 2.831 3.235 2.434 1.00 0.00 H new ATOM 0 HA ILE A 85 0.257 3.580 1.036 1.00 0.00 H new ATOM 0 HB ILE A 85 0.856 2.188 3.681 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.241 1.128 0.908 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.686 0.851 1.859 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.501 1.477 3.576 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.352 3.249 3.652 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.727 2.453 2.106 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.231 -1.116 1.882 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.368 -0.422 3.515 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.100 -0.140 2.548 1.00 0.00 H new ATOM 314 N ARG A 86 -0.516 5.479 2.460 1.00 0.00 N ATOM 315 CA ARG A 86 -0.886 6.687 3.187 1.00 0.00 C ATOM 316 C ARG A 86 -2.397 6.761 3.383 1.00 0.00 C ATOM 317 O ARG A 86 -3.128 5.844 3.009 1.00 0.00 O ATOM 318 CB ARG A 86 -0.397 7.928 2.439 1.00 0.00 C ATOM 319 CG ARG A 86 1.053 7.837 1.990 1.00 0.00 C ATOM 320 CD ARG A 86 1.437 9.012 1.105 1.00 0.00 C ATOM 321 NE ARG A 86 0.731 8.989 -0.173 1.00 0.00 N ATOM 322 CZ ARG A 86 0.608 10.048 -0.964 1.00 0.00 C ATOM 323 NH1 ARG A 86 1.142 11.209 -0.611 1.00 0.00 N ATOM 324 NH2 ARG A 86 -0.050 9.948 -2.113 1.00 0.00 N ATOM 0 H ARG A 86 -1.120 5.262 1.667 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.410 6.651 4.167 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.029 8.088 1.566 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.515 8.800 3.083 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.704 7.810 2.863 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.209 6.905 1.447 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.216 9.944 1.624 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.512 8.994 0.926 1.00 0.00 H new ATOM 0 HE ARG A 86 0.309 8.111 -0.475 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.649 11.290 0.270 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.046 12.021 -1.221 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.462 9.057 -2.389 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -0.144 10.763 -2.720 1.00 0.00 H new ATOM 338 N ASN A 87 -2.859 7.859 3.974 1.00 0.00 N ATOM 339 CA ASN A 87 -4.283 8.052 4.221 1.00 0.00 C ATOM 340 C ASN A 87 -4.808 7.020 5.214 1.00 0.00 C ATOM 341 O ASN A 87 -5.984 6.654 5.182 1.00 0.00 O ATOM 342 CB ASN A 87 -5.067 7.959 2.910 1.00 0.00 C ATOM 343 CG ASN A 87 -5.296 9.318 2.277 1.00 0.00 C ATOM 344 OD1 ASN A 87 -4.394 10.154 2.231 1.00 0.00 O ATOM 345 ND2 ASN A 87 -6.509 9.544 1.784 1.00 0.00 N ATOM 0 H ASN A 87 -2.268 8.628 4.290 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.420 9.045 4.649 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -4.526 7.322 2.211 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -6.029 7.482 3.098 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -6.722 10.440 1.345 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -7.227 8.822 1.844 1.00 0.00 H new ATOM 352 N ILE A 88 -3.929 6.555 6.096 1.00 0.00 N ATOM 353 CA ILE A 88 -4.304 5.566 7.099 1.00 0.00 C ATOM 354 C ILE A 88 -4.863 6.237 8.349 1.00 0.00 C ATOM 355 O ILE A 88 -4.276 7.170 8.899 1.00 0.00 O ATOM 356 CB ILE A 88 -3.106 4.684 7.496 1.00 0.00 C ATOM 357 CG1 ILE A 88 -2.586 3.915 6.279 1.00 0.00 C ATOM 358 CG2 ILE A 88 -3.500 3.723 8.607 1.00 0.00 C ATOM 359 CD1 ILE A 88 -1.176 3.395 6.450 1.00 0.00 C ATOM 0 H ILE A 88 -2.953 6.847 6.136 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.074 4.938 6.651 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.307 5.327 7.865 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.252 3.076 6.078 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.621 4.566 5.406 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.642 3.107 8.876 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.828 4.289 9.479 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.313 3.083 8.263 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.874 2.861 5.549 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.498 4.231 6.621 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.139 2.718 7.303 1.00 0.00 H new ATOM 371 N PRO A 89 -6.024 5.751 8.813 1.00 0.00 N ATOM 372 CA PRO A 89 -6.687 6.287 10.006 1.00 0.00 C ATOM 373 C PRO A 89 -5.927 5.962 11.287 1.00 0.00 C ATOM 374 O PRO A 89 -5.600 4.808 11.567 1.00 0.00 O ATOM 375 CB PRO A 89 -8.048 5.587 9.999 1.00 0.00 C ATOM 376 CG PRO A 89 -7.821 4.323 9.245 1.00 0.00 C ATOM 377 CD PRO A 89 -6.779 4.640 8.209 1.00 0.00 C ATOM 0 HA PRO A 89 -6.751 7.375 9.983 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -8.395 5.386 11.013 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -8.808 6.204 9.518 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -7.482 3.528 9.909 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -8.743 3.976 8.778 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -6.138 3.781 8.008 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.231 4.930 7.260 1.00 0.00 H new ATOM 385 N PRO A 90 -5.638 7.001 12.084 1.00 0.00 N ATOM 386 CA PRO A 90 -4.913 6.850 13.350 1.00 0.00 C ATOM 387 C PRO A 90 -5.745 6.139 14.412 1.00 0.00 C ATOM 388 O PRO A 90 -5.291 5.941 15.540 1.00 0.00 O ATOM 389 CB PRO A 90 -4.629 8.294 13.770 1.00 0.00 C ATOM 390 CG PRO A 90 -5.698 9.097 13.112 1.00 0.00 C ATOM 391 CD PRO A 90 -5.997 8.403 11.813 1.00 0.00 C ATOM 0 HA PRO A 90 -4.016 6.241 13.237 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -4.661 8.405 14.854 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -3.638 8.613 13.446 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -6.588 9.151 13.739 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.367 10.121 12.940 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -7.047 8.503 11.537 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -5.411 8.816 10.992 1.00 0.00 H new ATOM 399 N HIS A 91 -6.964 5.756 14.046 1.00 0.00 N ATOM 400 CA HIS A 91 -7.858 5.066 14.968 1.00 0.00 C ATOM 401 C HIS A 91 -7.637 3.557 14.912 1.00 0.00 C ATOM 402 O HIS A 91 -7.506 2.900 15.945 1.00 0.00 O ATOM 403 CB HIS A 91 -9.315 5.393 14.639 1.00 0.00 C ATOM 404 CG HIS A 91 -9.538 6.826 14.265 1.00 0.00 C ATOM 405 ND1 HIS A 91 -10.483 7.224 13.343 1.00 0.00 N ATOM 406 CD2 HIS A 91 -8.933 7.957 14.694 1.00 0.00 C ATOM 407 CE1 HIS A 91 -10.448 8.539 13.221 1.00 0.00 C ATOM 408 NE2 HIS A 91 -9.516 9.008 14.031 1.00 0.00 N ATOM 0 H HIS A 91 -7.355 5.912 13.117 1.00 0.00 H new ATOM 0 HA HIS A 91 -7.635 5.410 15.978 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -9.645 4.756 13.818 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -9.937 5.150 15.501 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -8.139 8.021 15.423 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -11.075 9.130 12.570 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -9.270 9.991 14.145 1.00 0.00 H new ATOM 416 N LEU A 92 -7.598 3.015 13.700 1.00 0.00 N ATOM 417 CA LEU A 92 -7.394 1.583 13.509 1.00 0.00 C ATOM 418 C LEU A 92 -6.144 1.108 14.244 1.00 0.00 C ATOM 419 O LEU A 92 -5.187 1.864 14.410 1.00 0.00 O ATOM 420 CB LEU A 92 -7.277 1.259 12.019 1.00 0.00 C ATOM 421 CG LEU A 92 -6.544 -0.037 11.669 1.00 0.00 C ATOM 422 CD1 LEU A 92 -7.094 -0.630 10.381 1.00 0.00 C ATOM 423 CD2 LEU A 92 -5.048 0.213 11.547 1.00 0.00 C ATOM 0 H LEU A 92 -7.705 3.545 12.835 1.00 0.00 H new ATOM 0 HA LEU A 92 -8.257 1.060 13.922 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -8.281 1.210 11.598 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -6.766 2.086 11.527 1.00 0.00 H new ATOM 0 HG LEU A 92 -6.708 -0.754 12.474 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -6.561 -1.551 10.148 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -8.155 -0.846 10.504 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -6.961 0.082 9.567 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -4.542 -0.720 11.298 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.865 0.946 10.762 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.664 0.592 12.494 1.00 0.00 H new ATOM 435 N GLN A 93 -6.161 -0.147 14.679 1.00 0.00 N ATOM 436 CA GLN A 93 -5.028 -0.722 15.395 1.00 0.00 C ATOM 437 C GLN A 93 -4.031 -1.347 14.424 1.00 0.00 C ATOM 438 O GLN A 93 -4.411 -1.838 13.361 1.00 0.00 O ATOM 439 CB GLN A 93 -5.510 -1.773 16.396 1.00 0.00 C ATOM 440 CG GLN A 93 -6.359 -1.200 17.518 1.00 0.00 C ATOM 441 CD GLN A 93 -5.533 -0.777 18.717 1.00 0.00 C ATOM 442 OE1 GLN A 93 -4.558 -0.037 18.584 1.00 0.00 O ATOM 443 NE2 GLN A 93 -5.920 -1.244 19.898 1.00 0.00 N ATOM 0 H GLN A 93 -6.946 -0.785 14.549 1.00 0.00 H new ATOM 0 HA GLN A 93 -4.527 0.081 15.935 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -6.087 -2.530 15.865 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -4.644 -2.276 16.827 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -6.916 -0.341 17.144 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -7.092 -1.944 17.831 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -6.734 -1.855 19.963 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -5.403 -0.992 20.740 1.00 0.00 H new ATOM 452 N TRP A 94 -2.757 -1.324 14.796 1.00 0.00 N ATOM 453 CA TRP A 94 -1.706 -1.889 13.957 1.00 0.00 C ATOM 454 C TRP A 94 -1.966 -3.365 13.677 1.00 0.00 C ATOM 455 O TRP A 94 -1.968 -3.795 12.524 1.00 0.00 O ATOM 456 CB TRP A 94 -0.342 -1.717 14.628 1.00 0.00 C ATOM 457 CG TRP A 94 0.810 -1.900 13.687 1.00 0.00 C ATOM 458 CD1 TRP A 94 1.392 -3.081 13.323 1.00 0.00 C ATOM 459 CD2 TRP A 94 1.522 -0.869 12.993 1.00 0.00 C ATOM 460 NE1 TRP A 94 2.422 -2.847 12.445 1.00 0.00 N ATOM 461 CE2 TRP A 94 2.521 -1.498 12.225 1.00 0.00 C ATOM 462 CE3 TRP A 94 1.410 0.523 12.943 1.00 0.00 C ATOM 463 CZ2 TRP A 94 3.402 -0.781 11.420 1.00 0.00 C ATOM 464 CZ3 TRP A 94 2.285 1.233 12.144 1.00 0.00 C ATOM 465 CH2 TRP A 94 3.270 0.581 11.390 1.00 0.00 C ATOM 0 H TRP A 94 -2.426 -0.921 15.672 1.00 0.00 H new ATOM 0 HA TRP A 94 -1.707 -1.353 13.008 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -0.286 -0.723 15.071 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -0.253 -2.435 15.444 1.00 0.00 H new ATOM 0 HD1 TRP A 94 1.087 -4.056 13.674 1.00 0.00 H new ATOM 0 HE1 TRP A 94 3.017 -3.561 12.025 1.00 0.00 H new ATOM 0 HE3 TRP A 94 0.653 1.035 13.519 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 4.163 -1.282 10.840 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 2.209 2.309 12.100 1.00 0.00 H new ATOM 0 HH2 TRP A 94 3.938 1.164 10.773 1.00 0.00 H new ATOM 476 N GLU A 95 -2.185 -4.134 14.738 1.00 0.00 N ATOM 477 CA GLU A 95 -2.446 -5.563 14.604 1.00 0.00 C ATOM 478 C GLU A 95 -3.384 -5.837 13.432 1.00 0.00 C ATOM 479 O GLU A 95 -3.295 -6.878 12.781 1.00 0.00 O ATOM 480 CB GLU A 95 -3.051 -6.117 15.896 1.00 0.00 C ATOM 481 CG GLU A 95 -4.397 -5.506 16.249 1.00 0.00 C ATOM 482 CD GLU A 95 -5.202 -6.375 17.195 1.00 0.00 C ATOM 483 OE1 GLU A 95 -5.832 -7.343 16.720 1.00 0.00 O ATOM 484 OE2 GLU A 95 -5.202 -6.088 18.410 1.00 0.00 O ATOM 0 H GLU A 95 -2.187 -3.793 15.699 1.00 0.00 H new ATOM 0 HA GLU A 95 -1.497 -6.063 14.412 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.166 -7.197 15.800 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -2.356 -5.942 16.717 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -4.240 -4.528 16.705 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -4.969 -5.344 15.335 1.00 0.00 H new ATOM 491 N VAL A 96 -4.285 -4.895 13.170 1.00 0.00 N ATOM 492 CA VAL A 96 -5.239 -5.033 12.076 1.00 0.00 C ATOM 493 C VAL A 96 -4.568 -4.802 10.727 1.00 0.00 C ATOM 494 O VAL A 96 -4.790 -5.550 9.774 1.00 0.00 O ATOM 495 CB VAL A 96 -6.414 -4.048 12.228 1.00 0.00 C ATOM 496 CG1 VAL A 96 -7.395 -4.205 11.077 1.00 0.00 C ATOM 497 CG2 VAL A 96 -7.110 -4.252 13.565 1.00 0.00 C ATOM 0 H VAL A 96 -4.374 -4.028 13.700 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.621 -6.053 12.118 1.00 0.00 H new ATOM 0 HB VAL A 96 -6.020 -3.032 12.201 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -8.218 -3.501 11.202 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -6.885 -4.004 10.135 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -7.786 -5.222 11.068 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -7.937 -3.548 13.656 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.492 -5.271 13.624 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -6.400 -4.083 14.374 1.00 0.00 H new ATOM 507 N LEU A 97 -3.744 -3.762 10.653 1.00 0.00 N ATOM 508 CA LEU A 97 -3.038 -3.432 9.420 1.00 0.00 C ATOM 509 C LEU A 97 -2.215 -4.618 8.930 1.00 0.00 C ATOM 510 O LEU A 97 -2.398 -5.092 7.809 1.00 0.00 O ATOM 511 CB LEU A 97 -2.129 -2.221 9.639 1.00 0.00 C ATOM 512 CG LEU A 97 -1.312 -1.767 8.429 1.00 0.00 C ATOM 513 CD1 LEU A 97 -2.223 -1.192 7.355 1.00 0.00 C ATOM 514 CD2 LEU A 97 -0.264 -0.746 8.845 1.00 0.00 C ATOM 0 H LEU A 97 -3.549 -3.133 11.432 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.780 -3.189 8.659 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.745 -1.385 9.971 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.440 -2.451 10.452 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.799 -2.635 8.015 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.624 -0.874 6.502 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.934 -1.953 7.035 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.764 -0.336 7.757 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.308 -0.435 7.971 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.756 0.122 9.285 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.408 -1.192 9.578 1.00 0.00 H new ATOM 526 N ASP A 98 -1.309 -5.093 9.777 1.00 0.00 N ATOM 527 CA ASP A 98 -0.459 -6.227 9.432 1.00 0.00 C ATOM 528 C ASP A 98 -1.238 -7.265 8.630 1.00 0.00 C ATOM 529 O ASP A 98 -0.795 -7.703 7.568 1.00 0.00 O ATOM 530 CB ASP A 98 0.114 -6.867 10.697 1.00 0.00 C ATOM 531 CG ASP A 98 1.325 -7.732 10.411 1.00 0.00 C ATOM 532 OD1 ASP A 98 1.176 -8.743 9.693 1.00 0.00 O ATOM 533 OD2 ASP A 98 2.423 -7.398 10.904 1.00 0.00 O ATOM 0 H ASP A 98 -1.144 -4.710 10.708 1.00 0.00 H new ATOM 0 HA ASP A 98 0.362 -5.860 8.817 1.00 0.00 H new ATOM 0 HB2 ASP A 98 0.389 -6.084 11.404 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -0.656 -7.472 11.175 1.00 0.00 H new ATOM 538 N SER A 99 -2.399 -7.655 9.146 1.00 0.00 N ATOM 539 CA SER A 99 -3.237 -8.646 8.480 1.00 0.00 C ATOM 540 C SER A 99 -3.623 -8.178 7.080 1.00 0.00 C ATOM 541 O SER A 99 -3.395 -8.880 6.094 1.00 0.00 O ATOM 542 CB SER A 99 -4.497 -8.916 9.305 1.00 0.00 C ATOM 543 OG SER A 99 -4.277 -9.952 10.247 1.00 0.00 O ATOM 0 H SER A 99 -2.781 -7.300 10.023 1.00 0.00 H new ATOM 0 HA SER A 99 -2.665 -9.569 8.391 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.798 -8.006 9.824 1.00 0.00 H new ATOM 0 HB3 SER A 99 -5.318 -9.191 8.642 1.00 0.00 H new ATOM 0 HG SER A 99 -5.096 -10.104 10.763 1.00 0.00 H new ATOM 549 N LEU A 100 -4.208 -6.988 7.001 1.00 0.00 N ATOM 550 CA LEU A 100 -4.626 -6.425 5.722 1.00 0.00 C ATOM 551 C LEU A 100 -3.501 -6.511 4.695 1.00 0.00 C ATOM 552 O LEU A 100 -3.750 -6.613 3.493 1.00 0.00 O ATOM 553 CB LEU A 100 -5.058 -4.969 5.900 1.00 0.00 C ATOM 554 CG LEU A 100 -6.465 -4.750 6.459 1.00 0.00 C ATOM 555 CD1 LEU A 100 -6.613 -3.334 6.994 1.00 0.00 C ATOM 556 CD2 LEU A 100 -7.512 -5.031 5.391 1.00 0.00 C ATOM 0 H LEU A 100 -4.404 -6.395 7.807 1.00 0.00 H new ATOM 0 HA LEU A 100 -5.472 -7.007 5.357 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -4.345 -4.478 6.562 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.991 -4.470 4.933 1.00 0.00 H new ATOM 0 HG LEU A 100 -6.620 -5.445 7.284 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.620 -3.197 7.387 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -5.887 -3.168 7.790 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.438 -2.621 6.189 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.507 -4.870 5.806 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.359 -4.360 4.546 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.421 -6.064 5.055 1.00 0.00 H new ATOM 568 N LEU A 101 -2.264 -6.471 5.176 1.00 0.00 N ATOM 569 CA LEU A 101 -1.099 -6.547 4.300 1.00 0.00 C ATOM 570 C LEU A 101 -0.924 -7.958 3.748 1.00 0.00 C ATOM 571 O LEU A 101 -0.959 -8.171 2.536 1.00 0.00 O ATOM 572 CB LEU A 101 0.161 -6.123 5.057 1.00 0.00 C ATOM 573 CG LEU A 101 0.110 -4.752 5.731 1.00 0.00 C ATOM 574 CD1 LEU A 101 1.372 -4.509 6.544 1.00 0.00 C ATOM 575 CD2 LEU A 101 -0.079 -3.654 4.694 1.00 0.00 C ATOM 0 H LEU A 101 -2.041 -6.386 6.168 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.259 -5.867 3.463 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.372 -6.873 5.820 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.999 -6.132 4.360 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.743 -4.734 6.409 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.317 -3.528 7.016 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.464 -5.277 7.312 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.241 -4.547 5.887 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -0.113 -2.685 5.192 1.00 0.00 H new ATOM 0 HD22 LEU A 101 0.753 -3.671 3.990 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -1.013 -3.818 4.156 1.00 0.00 H new ATOM 587 N VAL A 102 -0.737 -8.921 4.646 1.00 0.00 N ATOM 588 CA VAL A 102 -0.560 -10.312 4.250 1.00 0.00 C ATOM 589 C VAL A 102 -1.780 -10.828 3.494 1.00 0.00 C ATOM 590 O VAL A 102 -1.704 -11.830 2.784 1.00 0.00 O ATOM 591 CB VAL A 102 -0.307 -11.216 5.471 1.00 0.00 C ATOM 592 CG1 VAL A 102 0.938 -10.766 6.219 1.00 0.00 C ATOM 593 CG2 VAL A 102 -1.519 -11.221 6.390 1.00 0.00 C ATOM 0 H VAL A 102 -0.704 -8.762 5.653 1.00 0.00 H new ATOM 0 HA VAL A 102 0.311 -10.346 3.596 1.00 0.00 H new ATOM 0 HB VAL A 102 -0.142 -12.235 5.120 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.101 -11.416 7.079 1.00 0.00 H new ATOM 0 HG12 VAL A 102 1.801 -10.819 5.555 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.806 -9.739 6.561 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -1.323 -11.865 7.247 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -1.718 -10.207 6.736 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -2.386 -11.595 5.846 1.00 0.00 H new ATOM 603 N GLN A 103 -2.903 -10.135 3.651 1.00 0.00 N ATOM 604 CA GLN A 103 -4.139 -10.523 2.983 1.00 0.00 C ATOM 605 C GLN A 103 -3.995 -10.422 1.468 1.00 0.00 C ATOM 606 O GLN A 103 -4.695 -11.106 0.720 1.00 0.00 O ATOM 607 CB GLN A 103 -5.298 -9.644 3.457 1.00 0.00 C ATOM 608 CG GLN A 103 -5.928 -10.116 4.757 1.00 0.00 C ATOM 609 CD GLN A 103 -7.174 -9.332 5.120 1.00 0.00 C ATOM 610 OE1 GLN A 103 -7.856 -8.791 4.250 1.00 0.00 O ATOM 611 NE2 GLN A 103 -7.477 -9.267 6.412 1.00 0.00 N ATOM 0 H GLN A 103 -2.982 -9.302 4.235 1.00 0.00 H new ATOM 0 HA GLN A 103 -4.351 -11.561 3.241 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -4.939 -8.623 3.587 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -6.063 -9.617 2.681 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -6.180 -11.173 4.671 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -5.199 -10.027 5.563 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -6.883 -9.731 7.099 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -8.304 -8.753 6.717 1.00 0.00 H new ATOM 620 N TYR A 104 -3.084 -9.564 1.022 1.00 0.00 N ATOM 621 CA TYR A 104 -2.849 -9.371 -0.404 1.00 0.00 C ATOM 622 C TYR A 104 -1.770 -10.322 -0.913 1.00 0.00 C ATOM 623 O TYR A 104 -1.934 -10.970 -1.946 1.00 0.00 O ATOM 624 CB TYR A 104 -2.442 -7.924 -0.684 1.00 0.00 C ATOM 625 CG TYR A 104 -3.516 -6.916 -0.343 1.00 0.00 C ATOM 626 CD1 TYR A 104 -4.599 -6.711 -1.189 1.00 0.00 C ATOM 627 CD2 TYR A 104 -3.449 -6.168 0.827 1.00 0.00 C ATOM 628 CE1 TYR A 104 -5.582 -5.791 -0.882 1.00 0.00 C ATOM 629 CE2 TYR A 104 -4.428 -5.247 1.143 1.00 0.00 C ATOM 630 CZ TYR A 104 -5.492 -5.061 0.285 1.00 0.00 C ATOM 631 OH TYR A 104 -6.470 -4.144 0.596 1.00 0.00 O ATOM 0 H TYR A 104 -2.496 -8.991 1.628 1.00 0.00 H new ATOM 0 HA TYR A 104 -3.778 -9.589 -0.931 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -1.543 -7.691 -0.113 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -2.185 -7.825 -1.739 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -4.673 -7.281 -2.103 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -2.617 -6.310 1.500 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -6.416 -5.644 -1.552 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -4.361 -4.675 2.057 1.00 0.00 H new ATOM 0 HH TYR A 104 -6.554 -4.072 1.570 1.00 0.00 H new ATOM 641 N GLY A 105 -0.665 -10.401 -0.177 1.00 0.00 N ATOM 642 CA GLY A 105 0.425 -11.275 -0.568 1.00 0.00 C ATOM 643 C GLY A 105 1.425 -11.491 0.551 1.00 0.00 C ATOM 644 O GLY A 105 1.126 -11.237 1.718 1.00 0.00 O ATOM 0 H GLY A 105 -0.506 -9.875 0.683 1.00 0.00 H new ATOM 0 HA2 GLY A 105 0.020 -12.238 -0.880 1.00 0.00 H new ATOM 0 HA3 GLY A 105 0.937 -10.849 -1.431 1.00 0.00 H new ATOM 648 N VAL A 106 2.616 -11.962 0.196 1.00 0.00 N ATOM 649 CA VAL A 106 3.663 -12.213 1.179 1.00 0.00 C ATOM 650 C VAL A 106 4.536 -10.979 1.378 1.00 0.00 C ATOM 651 O VAL A 106 5.516 -10.776 0.660 1.00 0.00 O ATOM 652 CB VAL A 106 4.554 -13.397 0.760 1.00 0.00 C ATOM 653 CG1 VAL A 106 5.629 -13.654 1.806 1.00 0.00 C ATOM 654 CG2 VAL A 106 3.712 -14.643 0.532 1.00 0.00 C ATOM 0 H VAL A 106 2.880 -12.178 -0.765 1.00 0.00 H new ATOM 0 HA VAL A 106 3.165 -12.458 2.117 1.00 0.00 H new ATOM 0 HB VAL A 106 5.047 -13.143 -0.178 1.00 0.00 H new ATOM 0 HG11 VAL A 106 6.248 -14.494 1.492 1.00 0.00 H new ATOM 0 HG12 VAL A 106 6.251 -12.765 1.915 1.00 0.00 H new ATOM 0 HG13 VAL A 106 5.159 -13.887 2.761 1.00 0.00 H new ATOM 0 HG21 VAL A 106 4.358 -15.470 0.237 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.189 -14.902 1.453 1.00 0.00 H new ATOM 0 HG23 VAL A 106 2.985 -14.451 -0.257 1.00 0.00 H new ATOM 664 N VAL A 107 4.175 -10.157 2.358 1.00 0.00 N ATOM 665 CA VAL A 107 4.927 -8.943 2.653 1.00 0.00 C ATOM 666 C VAL A 107 6.307 -9.273 3.211 1.00 0.00 C ATOM 667 O VAL A 107 6.429 -9.825 4.304 1.00 0.00 O ATOM 668 CB VAL A 107 4.178 -8.051 3.661 1.00 0.00 C ATOM 669 CG1 VAL A 107 3.835 -8.836 4.918 1.00 0.00 C ATOM 670 CG2 VAL A 107 5.006 -6.821 4.001 1.00 0.00 C ATOM 0 H VAL A 107 3.367 -10.310 2.961 1.00 0.00 H new ATOM 0 HA VAL A 107 5.038 -8.403 1.713 1.00 0.00 H new ATOM 0 HB VAL A 107 3.246 -7.719 3.203 1.00 0.00 H new ATOM 0 HG11 VAL A 107 3.306 -8.189 5.618 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.201 -9.683 4.656 1.00 0.00 H new ATOM 0 HG13 VAL A 107 4.752 -9.199 5.382 1.00 0.00 H new ATOM 0 HG21 VAL A 107 4.462 -6.202 4.714 1.00 0.00 H new ATOM 0 HG22 VAL A 107 5.955 -7.131 4.439 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.195 -6.248 3.094 1.00 0.00 H new ATOM 680 N GLU A 108 7.343 -8.931 2.451 1.00 0.00 N ATOM 681 CA GLU A 108 8.715 -9.192 2.870 1.00 0.00 C ATOM 682 C GLU A 108 9.062 -8.394 4.124 1.00 0.00 C ATOM 683 O GLU A 108 9.566 -8.945 5.103 1.00 0.00 O ATOM 684 CB GLU A 108 9.691 -8.843 1.744 1.00 0.00 C ATOM 685 CG GLU A 108 10.939 -9.710 1.730 1.00 0.00 C ATOM 686 CD GLU A 108 11.561 -9.859 3.104 1.00 0.00 C ATOM 687 OE1 GLU A 108 11.689 -8.838 3.812 1.00 0.00 O ATOM 688 OE2 GLU A 108 11.922 -10.997 3.471 1.00 0.00 O ATOM 0 H GLU A 108 7.258 -8.473 1.543 1.00 0.00 H new ATOM 0 HA GLU A 108 8.802 -10.254 3.100 1.00 0.00 H new ATOM 0 HB2 GLU A 108 9.179 -8.942 0.787 1.00 0.00 H new ATOM 0 HB3 GLU A 108 9.986 -7.798 1.841 1.00 0.00 H new ATOM 0 HG2 GLU A 108 10.687 -10.696 1.340 1.00 0.00 H new ATOM 0 HG3 GLU A 108 11.671 -9.276 1.049 1.00 0.00 H new ATOM 695 N SER A 109 8.789 -7.094 4.086 1.00 0.00 N ATOM 696 CA SER A 109 9.075 -6.219 5.216 1.00 0.00 C ATOM 697 C SER A 109 8.035 -5.108 5.321 1.00 0.00 C ATOM 698 O SER A 109 7.454 -4.690 4.319 1.00 0.00 O ATOM 699 CB SER A 109 10.473 -5.613 5.077 1.00 0.00 C ATOM 700 OG SER A 109 10.426 -4.374 4.391 1.00 0.00 O ATOM 0 H SER A 109 8.370 -6.623 3.284 1.00 0.00 H new ATOM 0 HA SER A 109 9.034 -6.817 6.126 1.00 0.00 H new ATOM 0 HB2 SER A 109 10.910 -5.469 6.065 1.00 0.00 H new ATOM 0 HB3 SER A 109 11.121 -6.305 4.540 1.00 0.00 H new ATOM 0 HG SER A 109 11.332 -4.007 4.317 1.00 0.00 H new ATOM 706 N CYS A 110 7.805 -4.635 6.541 1.00 0.00 N ATOM 707 CA CYS A 110 6.834 -3.573 6.779 1.00 0.00 C ATOM 708 C CYS A 110 7.433 -2.473 7.648 1.00 0.00 C ATOM 709 O CYS A 110 7.419 -2.561 8.875 1.00 0.00 O ATOM 710 CB CYS A 110 5.580 -4.140 7.446 1.00 0.00 C ATOM 711 SG CYS A 110 4.319 -2.900 7.822 1.00 0.00 S ATOM 0 H CYS A 110 8.278 -4.970 7.380 1.00 0.00 H new ATOM 0 HA CYS A 110 6.561 -3.142 5.816 1.00 0.00 H new ATOM 0 HB2 CYS A 110 5.146 -4.898 6.794 1.00 0.00 H new ATOM 0 HB3 CYS A 110 5.868 -4.641 8.370 1.00 0.00 H new ATOM 0 HG CYS A 110 3.297 -3.476 8.382 1.00 0.00 H new ATOM 717 N GLU A 111 7.960 -1.437 7.002 1.00 0.00 N ATOM 718 CA GLU A 111 8.567 -0.321 7.717 1.00 0.00 C ATOM 719 C GLU A 111 7.552 0.795 7.948 1.00 0.00 C ATOM 720 O GLU A 111 6.522 0.858 7.277 1.00 0.00 O ATOM 721 CB GLU A 111 9.768 0.221 6.938 1.00 0.00 C ATOM 722 CG GLU A 111 10.690 1.095 7.771 1.00 0.00 C ATOM 723 CD GLU A 111 12.133 1.028 7.309 1.00 0.00 C ATOM 724 OE1 GLU A 111 12.758 -0.041 7.466 1.00 0.00 O ATOM 725 OE2 GLU A 111 12.636 2.046 6.788 1.00 0.00 O ATOM 0 H GLU A 111 7.979 -1.348 5.986 1.00 0.00 H new ATOM 0 HA GLU A 111 8.906 -0.687 8.686 1.00 0.00 H new ATOM 0 HB2 GLU A 111 10.339 -0.617 6.538 1.00 0.00 H new ATOM 0 HB3 GLU A 111 9.408 0.797 6.086 1.00 0.00 H new ATOM 0 HG2 GLU A 111 10.345 2.128 7.724 1.00 0.00 H new ATOM 0 HG3 GLU A 111 10.632 0.786 8.815 1.00 0.00 H new ATOM 732 N GLN A 112 7.850 1.671 8.901 1.00 0.00 N ATOM 733 CA GLN A 112 6.963 2.783 9.221 1.00 0.00 C ATOM 734 C GLN A 112 7.522 4.097 8.684 1.00 0.00 C ATOM 735 O GLN A 112 8.730 4.239 8.496 1.00 0.00 O ATOM 736 CB GLN A 112 6.759 2.882 10.733 1.00 0.00 C ATOM 737 CG GLN A 112 5.439 3.524 11.128 1.00 0.00 C ATOM 738 CD GLN A 112 5.134 3.370 12.605 1.00 0.00 C ATOM 739 OE1 GLN A 112 5.922 2.797 13.357 1.00 0.00 O ATOM 740 NE2 GLN A 112 3.985 3.883 13.030 1.00 0.00 N ATOM 0 H GLN A 112 8.699 1.633 9.465 1.00 0.00 H new ATOM 0 HA GLN A 112 6.001 2.596 8.744 1.00 0.00 H new ATOM 0 HB2 GLN A 112 6.811 1.882 11.164 1.00 0.00 H new ATOM 0 HB3 GLN A 112 7.577 3.458 11.165 1.00 0.00 H new ATOM 0 HG2 GLN A 112 5.465 4.584 10.875 1.00 0.00 H new ATOM 0 HG3 GLN A 112 4.633 3.077 10.546 1.00 0.00 H new ATOM 0 HE21 GLN A 112 3.361 4.350 12.372 1.00 0.00 H new ATOM 0 HE22 GLN A 112 3.727 3.810 14.014 1.00 0.00 H new ATOM 749 N VAL A 113 6.634 5.056 8.440 1.00 0.00 N ATOM 750 CA VAL A 113 7.039 6.359 7.926 1.00 0.00 C ATOM 751 C VAL A 113 6.046 7.443 8.332 1.00 0.00 C ATOM 752 O VAL A 113 4.908 7.151 8.696 1.00 0.00 O ATOM 753 CB VAL A 113 7.164 6.343 6.391 1.00 0.00 C ATOM 754 CG1 VAL A 113 7.981 7.531 5.909 1.00 0.00 C ATOM 755 CG2 VAL A 113 7.781 5.035 5.921 1.00 0.00 C ATOM 0 H VAL A 113 5.630 4.955 8.590 1.00 0.00 H new ATOM 0 HA VAL A 113 8.014 6.581 8.361 1.00 0.00 H new ATOM 0 HB VAL A 113 6.165 6.422 5.962 1.00 0.00 H new ATOM 0 HG11 VAL A 113 8.058 7.502 4.822 1.00 0.00 H new ATOM 0 HG12 VAL A 113 7.492 8.456 6.214 1.00 0.00 H new ATOM 0 HG13 VAL A 113 8.979 7.487 6.345 1.00 0.00 H new ATOM 0 HG21 VAL A 113 7.862 5.041 4.834 1.00 0.00 H new ATOM 0 HG22 VAL A 113 8.773 4.923 6.358 1.00 0.00 H new ATOM 0 HG23 VAL A 113 7.151 4.202 6.233 1.00 0.00 H new ATOM 765 N ASN A 114 6.487 8.695 8.268 1.00 0.00 N ATOM 766 CA ASN A 114 5.637 9.824 8.630 1.00 0.00 C ATOM 767 C ASN A 114 5.653 10.889 7.538 1.00 0.00 C ATOM 768 O ASN A 114 6.706 11.428 7.195 1.00 0.00 O ATOM 769 CB ASN A 114 6.097 10.430 9.957 1.00 0.00 C ATOM 770 CG ASN A 114 7.128 11.526 9.765 1.00 0.00 C ATOM 771 OD1 ASN A 114 6.808 12.713 9.830 1.00 0.00 O ATOM 772 ND2 ASN A 114 8.373 11.131 9.527 1.00 0.00 N ATOM 0 H ASN A 114 7.427 8.954 7.969 1.00 0.00 H new ATOM 0 HA ASN A 114 4.616 9.458 8.740 1.00 0.00 H new ATOM 0 HB2 ASN A 114 5.235 10.835 10.487 1.00 0.00 H new ATOM 0 HB3 ASN A 114 6.518 9.645 10.585 1.00 0.00 H new ATOM 0 HD21 ASN A 114 9.110 11.823 9.389 1.00 0.00 H new ATOM 0 HD22 ASN A 114 8.593 10.136 9.482 1.00 0.00 H new ATOM 779 N THR A 115 4.478 11.189 6.994 1.00 0.00 N ATOM 780 CA THR A 115 4.356 12.189 5.941 1.00 0.00 C ATOM 781 C THR A 115 4.085 13.571 6.524 1.00 0.00 C ATOM 782 O THR A 115 3.707 14.496 5.804 1.00 0.00 O ATOM 783 CB THR A 115 3.230 11.831 4.953 1.00 0.00 C ATOM 784 OG1 THR A 115 3.257 12.724 3.834 1.00 0.00 O ATOM 785 CG2 THR A 115 1.871 11.903 5.633 1.00 0.00 C ATOM 0 H THR A 115 3.597 10.753 7.266 1.00 0.00 H new ATOM 0 HA THR A 115 5.306 12.203 5.407 1.00 0.00 H new ATOM 0 HB THR A 115 3.392 10.810 4.606 1.00 0.00 H new ATOM 0 HG1 THR A 115 3.421 13.638 4.148 1.00 0.00 H new ATOM 0 HG21 THR A 115 1.091 11.646 4.916 1.00 0.00 H new ATOM 0 HG22 THR A 115 1.843 11.201 6.466 1.00 0.00 H new ATOM 0 HG23 THR A 115 1.703 12.914 6.005 1.00 0.00 H new ATOM 793 N ASP A 116 4.280 13.706 7.831 1.00 0.00 N ATOM 794 CA ASP A 116 4.058 14.977 8.510 1.00 0.00 C ATOM 795 C ASP A 116 2.584 15.368 8.463 1.00 0.00 C ATOM 796 O ASP A 116 2.247 16.550 8.402 1.00 0.00 O ATOM 797 CB ASP A 116 4.911 16.075 7.874 1.00 0.00 C ATOM 798 CG ASP A 116 5.108 17.262 8.797 1.00 0.00 C ATOM 799 OD1 ASP A 116 5.449 17.044 9.978 1.00 0.00 O ATOM 800 OD2 ASP A 116 4.920 18.408 8.338 1.00 0.00 O ATOM 0 H ASP A 116 4.591 12.951 8.442 1.00 0.00 H new ATOM 0 HA ASP A 116 4.351 14.860 9.553 1.00 0.00 H new ATOM 0 HB2 ASP A 116 5.883 15.664 7.602 1.00 0.00 H new ATOM 0 HB3 ASP A 116 4.438 16.410 6.951 1.00 0.00 H new ATOM 805 N SER A 117 1.710 14.367 8.489 1.00 0.00 N ATOM 806 CA SER A 117 0.272 14.606 8.444 1.00 0.00 C ATOM 807 C SER A 117 -0.434 13.889 9.590 1.00 0.00 C ATOM 808 O SER A 117 0.202 13.218 10.402 1.00 0.00 O ATOM 809 CB SER A 117 -0.302 14.140 7.105 1.00 0.00 C ATOM 810 OG SER A 117 -0.299 12.725 7.013 1.00 0.00 O ATOM 0 H SER A 117 1.972 13.383 8.541 1.00 0.00 H new ATOM 0 HA SER A 117 0.103 15.678 8.550 1.00 0.00 H new ATOM 0 HB2 SER A 117 -1.320 14.513 6.993 1.00 0.00 H new ATOM 0 HB3 SER A 117 0.284 14.562 6.288 1.00 0.00 H new ATOM 0 HG SER A 117 -1.216 12.404 6.886 1.00 0.00 H new ATOM 816 N GLU A 118 -1.754 14.037 9.649 1.00 0.00 N ATOM 817 CA GLU A 118 -2.547 13.404 10.697 1.00 0.00 C ATOM 818 C GLU A 118 -2.628 11.895 10.481 1.00 0.00 C ATOM 819 O GLU A 118 -2.454 11.112 11.415 1.00 0.00 O ATOM 820 CB GLU A 118 -3.955 14.002 10.732 1.00 0.00 C ATOM 821 CG GLU A 118 -3.998 15.429 11.252 1.00 0.00 C ATOM 822 CD GLU A 118 -5.412 15.919 11.497 1.00 0.00 C ATOM 823 OE1 GLU A 118 -6.068 15.397 12.423 1.00 0.00 O ATOM 824 OE2 GLU A 118 -5.861 16.824 10.764 1.00 0.00 O ATOM 0 H GLU A 118 -2.296 14.589 8.984 1.00 0.00 H new ATOM 0 HA GLU A 118 -2.057 13.591 11.652 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -4.376 13.978 9.727 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -4.591 13.377 11.359 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -3.430 15.490 12.180 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -3.508 16.088 10.535 1.00 0.00 H new ATOM 831 N THR A 119 -2.896 11.494 9.242 1.00 0.00 N ATOM 832 CA THR A 119 -3.002 10.081 8.903 1.00 0.00 C ATOM 833 C THR A 119 -1.656 9.379 9.040 1.00 0.00 C ATOM 834 O THR A 119 -0.604 10.016 8.979 1.00 0.00 O ATOM 835 CB THR A 119 -3.526 9.885 7.467 1.00 0.00 C ATOM 836 OG1 THR A 119 -2.887 10.813 6.583 1.00 0.00 O ATOM 837 CG2 THR A 119 -5.033 10.079 7.410 1.00 0.00 C ATOM 0 H THR A 119 -3.044 12.128 8.457 1.00 0.00 H new ATOM 0 HA THR A 119 -3.711 9.641 9.604 1.00 0.00 H new ATOM 0 HB THR A 119 -3.295 8.867 7.155 1.00 0.00 H new ATOM 0 HG1 THR A 119 -3.223 10.682 5.672 1.00 0.00 H new ATOM 0 HG21 THR A 119 -5.380 9.936 6.387 1.00 0.00 H new ATOM 0 HG22 THR A 119 -5.518 9.353 8.063 1.00 0.00 H new ATOM 0 HG23 THR A 119 -5.283 11.087 7.740 1.00 0.00 H new ATOM 845 N ALA A 120 -1.695 8.064 9.226 1.00 0.00 N ATOM 846 CA ALA A 120 -0.478 7.276 9.369 1.00 0.00 C ATOM 847 C ALA A 120 0.104 6.911 8.007 1.00 0.00 C ATOM 848 O ALA A 120 -0.593 6.949 6.993 1.00 0.00 O ATOM 849 CB ALA A 120 -0.755 6.019 10.180 1.00 0.00 C ATOM 0 H ALA A 120 -2.557 7.522 9.281 1.00 0.00 H new ATOM 0 HA ALA A 120 0.257 7.882 9.898 1.00 0.00 H new ATOM 0 HB1 ALA A 120 0.163 5.440 10.279 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -1.117 6.297 11.170 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -1.510 5.418 9.673 1.00 0.00 H new ATOM 855 N VAL A 121 1.386 6.559 7.991 1.00 0.00 N ATOM 856 CA VAL A 121 2.061 6.187 6.754 1.00 0.00 C ATOM 857 C VAL A 121 2.962 4.975 6.962 1.00 0.00 C ATOM 858 O VAL A 121 3.879 5.003 7.783 1.00 0.00 O ATOM 859 CB VAL A 121 2.905 7.352 6.203 1.00 0.00 C ATOM 860 CG1 VAL A 121 3.532 6.973 4.870 1.00 0.00 C ATOM 861 CG2 VAL A 121 2.055 8.606 6.065 1.00 0.00 C ATOM 0 H VAL A 121 1.978 6.524 8.821 1.00 0.00 H new ATOM 0 HA VAL A 121 1.283 5.938 6.032 1.00 0.00 H new ATOM 0 HB VAL A 121 3.709 7.562 6.909 1.00 0.00 H new ATOM 0 HG11 VAL A 121 4.124 7.808 4.496 1.00 0.00 H new ATOM 0 HG12 VAL A 121 4.175 6.103 5.005 1.00 0.00 H new ATOM 0 HG13 VAL A 121 2.746 6.736 4.153 1.00 0.00 H new ATOM 0 HG21 VAL A 121 2.667 9.419 5.675 1.00 0.00 H new ATOM 0 HG22 VAL A 121 1.229 8.412 5.380 1.00 0.00 H new ATOM 0 HG23 VAL A 121 1.659 8.886 7.041 1.00 0.00 H new ATOM 871 N VAL A 122 2.695 3.910 6.212 1.00 0.00 N ATOM 872 CA VAL A 122 3.483 2.688 6.313 1.00 0.00 C ATOM 873 C VAL A 122 4.047 2.284 4.955 1.00 0.00 C ATOM 874 O VAL A 122 3.465 2.586 3.915 1.00 0.00 O ATOM 875 CB VAL A 122 2.644 1.524 6.875 1.00 0.00 C ATOM 876 CG1 VAL A 122 3.310 0.191 6.571 1.00 0.00 C ATOM 877 CG2 VAL A 122 2.432 1.695 8.372 1.00 0.00 C ATOM 0 H VAL A 122 1.939 3.869 5.528 1.00 0.00 H new ATOM 0 HA VAL A 122 4.305 2.897 6.997 1.00 0.00 H new ATOM 0 HB VAL A 122 1.668 1.534 6.390 1.00 0.00 H new ATOM 0 HG11 VAL A 122 2.703 -0.619 6.975 1.00 0.00 H new ATOM 0 HG12 VAL A 122 3.405 0.069 5.492 1.00 0.00 H new ATOM 0 HG13 VAL A 122 4.299 0.166 7.028 1.00 0.00 H new ATOM 0 HG21 VAL A 122 1.838 0.864 8.753 1.00 0.00 H new ATOM 0 HG22 VAL A 122 3.398 1.711 8.877 1.00 0.00 H new ATOM 0 HG23 VAL A 122 1.908 2.632 8.561 1.00 0.00 H new ATOM 887 N ASN A 123 5.185 1.597 4.974 1.00 0.00 N ATOM 888 CA ASN A 123 5.829 1.151 3.744 1.00 0.00 C ATOM 889 C ASN A 123 5.810 -0.371 3.641 1.00 0.00 C ATOM 890 O ASN A 123 6.431 -1.066 4.444 1.00 0.00 O ATOM 891 CB ASN A 123 7.271 1.659 3.685 1.00 0.00 C ATOM 892 CG ASN A 123 7.359 3.094 3.201 1.00 0.00 C ATOM 893 OD1 ASN A 123 6.348 3.711 2.865 1.00 0.00 O ATOM 894 ND2 ASN A 123 8.573 3.632 3.162 1.00 0.00 N ATOM 0 H ASN A 123 5.680 1.337 5.827 1.00 0.00 H new ATOM 0 HA ASN A 123 5.271 1.562 2.902 1.00 0.00 H new ATOM 0 HB2 ASN A 123 7.721 1.584 4.675 1.00 0.00 H new ATOM 0 HB3 ASN A 123 7.852 1.018 3.022 1.00 0.00 H new ATOM 0 HD21 ASN A 123 8.695 4.594 2.844 1.00 0.00 H new ATOM 0 HD22 ASN A 123 9.383 3.084 3.450 1.00 0.00 H new ATOM 901 N VAL A 124 5.092 -0.882 2.645 1.00 0.00 N ATOM 902 CA VAL A 124 4.993 -2.321 2.435 1.00 0.00 C ATOM 903 C VAL A 124 5.964 -2.788 1.356 1.00 0.00 C ATOM 904 O VAL A 124 6.134 -2.128 0.330 1.00 0.00 O ATOM 905 CB VAL A 124 3.563 -2.733 2.036 1.00 0.00 C ATOM 906 CG1 VAL A 124 3.492 -4.230 1.775 1.00 0.00 C ATOM 907 CG2 VAL A 124 2.571 -2.324 3.114 1.00 0.00 C ATOM 0 H VAL A 124 4.571 -0.321 1.972 1.00 0.00 H new ATOM 0 HA VAL A 124 5.250 -2.797 3.381 1.00 0.00 H new ATOM 0 HB VAL A 124 3.298 -2.215 1.115 1.00 0.00 H new ATOM 0 HG11 VAL A 124 2.475 -4.503 1.495 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.174 -4.491 0.966 1.00 0.00 H new ATOM 0 HG13 VAL A 124 3.777 -4.771 2.678 1.00 0.00 H new ATOM 0 HG21 VAL A 124 1.566 -2.623 2.816 1.00 0.00 H new ATOM 0 HG22 VAL A 124 2.831 -2.813 4.053 1.00 0.00 H new ATOM 0 HG23 VAL A 124 2.604 -1.243 3.247 1.00 0.00 H new ATOM 917 N THR A 125 6.600 -3.930 1.594 1.00 0.00 N ATOM 918 CA THR A 125 7.555 -4.486 0.643 1.00 0.00 C ATOM 919 C THR A 125 7.311 -5.974 0.425 1.00 0.00 C ATOM 920 O THR A 125 7.766 -6.809 1.207 1.00 0.00 O ATOM 921 CB THR A 125 9.006 -4.279 1.118 1.00 0.00 C ATOM 922 OG1 THR A 125 9.143 -2.989 1.725 1.00 0.00 O ATOM 923 CG2 THR A 125 9.979 -4.404 -0.044 1.00 0.00 C ATOM 0 H THR A 125 6.471 -4.489 2.438 1.00 0.00 H new ATOM 0 HA THR A 125 7.409 -3.955 -0.298 1.00 0.00 H new ATOM 0 HB THR A 125 9.239 -5.052 1.851 1.00 0.00 H new ATOM 0 HG1 THR A 125 9.550 -3.086 2.611 1.00 0.00 H new ATOM 0 HG21 THR A 125 10.997 -4.254 0.316 1.00 0.00 H new ATOM 0 HG22 THR A 125 9.893 -5.397 -0.485 1.00 0.00 H new ATOM 0 HG23 THR A 125 9.746 -3.651 -0.797 1.00 0.00 H new ATOM 931 N TYR A 126 6.593 -6.301 -0.644 1.00 0.00 N ATOM 932 CA TYR A 126 6.287 -7.690 -0.964 1.00 0.00 C ATOM 933 C TYR A 126 7.462 -8.356 -1.674 1.00 0.00 C ATOM 934 O TYR A 126 8.430 -7.696 -2.049 1.00 0.00 O ATOM 935 CB TYR A 126 5.036 -7.770 -1.840 1.00 0.00 C ATOM 936 CG TYR A 126 3.767 -7.368 -1.122 1.00 0.00 C ATOM 937 CD1 TYR A 126 3.251 -8.146 -0.093 1.00 0.00 C ATOM 938 CD2 TYR A 126 3.086 -6.208 -1.471 1.00 0.00 C ATOM 939 CE1 TYR A 126 2.092 -7.783 0.565 1.00 0.00 C ATOM 940 CE2 TYR A 126 1.927 -5.836 -0.817 1.00 0.00 C ATOM 941 CZ TYR A 126 1.434 -6.627 0.199 1.00 0.00 C ATOM 942 OH TYR A 126 0.280 -6.260 0.853 1.00 0.00 O ATOM 0 H TYR A 126 6.212 -5.623 -1.304 1.00 0.00 H new ATOM 0 HA TYR A 126 6.102 -8.220 -0.029 1.00 0.00 H new ATOM 0 HB2 TYR A 126 5.170 -7.127 -2.710 1.00 0.00 H new ATOM 0 HB3 TYR A 126 4.927 -8.789 -2.210 1.00 0.00 H new ATOM 0 HD1 TYR A 126 3.765 -9.050 0.197 1.00 0.00 H new ATOM 0 HD2 TYR A 126 3.469 -5.587 -2.267 1.00 0.00 H new ATOM 0 HE1 TYR A 126 1.703 -8.400 1.361 1.00 0.00 H new ATOM 0 HE2 TYR A 126 1.410 -4.931 -1.100 1.00 0.00 H new ATOM 0 HH TYR A 126 -0.023 -6.999 1.421 1.00 0.00 H new ATOM 952 N SER A 127 7.367 -9.670 -1.854 1.00 0.00 N ATOM 953 CA SER A 127 8.422 -10.428 -2.516 1.00 0.00 C ATOM 954 C SER A 127 8.124 -10.590 -4.004 1.00 0.00 C ATOM 955 O SER A 127 8.994 -10.378 -4.849 1.00 0.00 O ATOM 956 CB SER A 127 8.578 -11.803 -1.864 1.00 0.00 C ATOM 957 OG SER A 127 9.592 -12.559 -2.502 1.00 0.00 O ATOM 0 H SER A 127 6.571 -10.231 -1.551 1.00 0.00 H new ATOM 0 HA SER A 127 9.355 -9.874 -2.408 1.00 0.00 H new ATOM 0 HB2 SER A 127 8.820 -11.683 -0.808 1.00 0.00 H new ATOM 0 HB3 SER A 127 7.632 -12.342 -1.915 1.00 0.00 H new ATOM 0 HG SER A 127 9.672 -13.433 -2.065 1.00 0.00 H new ATOM 963 N SER A 128 6.888 -10.966 -4.316 1.00 0.00 N ATOM 964 CA SER A 128 6.475 -11.160 -5.700 1.00 0.00 C ATOM 965 C SER A 128 5.966 -9.855 -6.304 1.00 0.00 C ATOM 966 O SER A 128 5.250 -9.093 -5.653 1.00 0.00 O ATOM 967 CB SER A 128 5.387 -12.232 -5.785 1.00 0.00 C ATOM 968 OG SER A 128 5.395 -12.869 -7.051 1.00 0.00 O ATOM 0 H SER A 128 6.155 -11.142 -3.629 1.00 0.00 H new ATOM 0 HA SER A 128 7.345 -11.489 -6.269 1.00 0.00 H new ATOM 0 HB2 SER A 128 5.541 -12.973 -5.001 1.00 0.00 H new ATOM 0 HB3 SER A 128 4.411 -11.779 -5.609 1.00 0.00 H new ATOM 0 HG SER A 128 4.473 -13.003 -7.356 1.00 0.00 H new ATOM 974 N LYS A 129 6.342 -9.601 -7.553 1.00 0.00 N ATOM 975 CA LYS A 129 5.924 -8.389 -8.247 1.00 0.00 C ATOM 976 C LYS A 129 4.424 -8.408 -8.519 1.00 0.00 C ATOM 977 O LYS A 129 3.821 -7.371 -8.798 1.00 0.00 O ATOM 978 CB LYS A 129 6.691 -8.241 -9.563 1.00 0.00 C ATOM 979 CG LYS A 129 6.009 -8.912 -10.743 1.00 0.00 C ATOM 980 CD LYS A 129 5.870 -10.410 -10.528 1.00 0.00 C ATOM 981 CE LYS A 129 7.094 -11.161 -11.029 1.00 0.00 C ATOM 982 NZ LYS A 129 7.089 -11.304 -12.511 1.00 0.00 N ATOM 0 H LYS A 129 6.936 -10.219 -8.106 1.00 0.00 H new ATOM 0 HA LYS A 129 6.148 -7.537 -7.605 1.00 0.00 H new ATOM 0 HB2 LYS A 129 6.818 -7.181 -9.782 1.00 0.00 H new ATOM 0 HB3 LYS A 129 7.688 -8.664 -9.442 1.00 0.00 H new ATOM 0 HG2 LYS A 129 5.023 -8.472 -10.893 1.00 0.00 H new ATOM 0 HG3 LYS A 129 6.583 -8.725 -11.651 1.00 0.00 H new ATOM 0 HD2 LYS A 129 5.725 -10.614 -9.467 1.00 0.00 H new ATOM 0 HD3 LYS A 129 4.982 -10.772 -11.046 1.00 0.00 H new ATOM 0 HE2 LYS A 129 7.996 -10.634 -10.718 1.00 0.00 H new ATOM 0 HE3 LYS A 129 7.128 -12.149 -10.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 7.913 -11.865 -12.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 6.217 -11.784 -12.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 7.134 -10.363 -12.951 1.00 0.00 H new ATOM 996 N ASP A 130 3.826 -9.591 -8.436 1.00 0.00 N ATOM 997 CA ASP A 130 2.395 -9.744 -8.671 1.00 0.00 C ATOM 998 C ASP A 130 1.603 -9.474 -7.395 1.00 0.00 C ATOM 999 O ASP A 130 0.592 -8.773 -7.419 1.00 0.00 O ATOM 1000 CB ASP A 130 2.089 -11.150 -9.188 1.00 0.00 C ATOM 1001 CG ASP A 130 2.057 -12.182 -8.078 1.00 0.00 C ATOM 1002 OD1 ASP A 130 2.992 -12.191 -7.250 1.00 0.00 O ATOM 1003 OD2 ASP A 130 1.097 -12.980 -8.036 1.00 0.00 O ATOM 0 H ASP A 130 4.310 -10.459 -8.207 1.00 0.00 H new ATOM 0 HA ASP A 130 2.095 -9.015 -9.424 1.00 0.00 H new ATOM 0 HB2 ASP A 130 1.128 -11.144 -9.702 1.00 0.00 H new ATOM 0 HB3 ASP A 130 2.841 -11.435 -9.923 1.00 0.00 H new ATOM 1008 N GLN A 131 2.070 -10.037 -6.285 1.00 0.00 N ATOM 1009 CA GLN A 131 1.403 -9.858 -5.001 1.00 0.00 C ATOM 1010 C GLN A 131 1.336 -8.382 -4.623 1.00 0.00 C ATOM 1011 O GLN A 131 0.443 -7.959 -3.889 1.00 0.00 O ATOM 1012 CB GLN A 131 2.133 -10.643 -3.910 1.00 0.00 C ATOM 1013 CG GLN A 131 1.650 -12.077 -3.765 1.00 0.00 C ATOM 1014 CD GLN A 131 2.534 -12.901 -2.850 1.00 0.00 C ATOM 1015 OE1 GLN A 131 2.049 -13.579 -1.944 1.00 0.00 O ATOM 1016 NE2 GLN A 131 3.840 -12.847 -3.083 1.00 0.00 N ATOM 0 H GLN A 131 2.906 -10.620 -6.249 1.00 0.00 H new ATOM 0 HA GLN A 131 0.385 -10.237 -5.093 1.00 0.00 H new ATOM 0 HB2 GLN A 131 3.200 -10.649 -4.131 1.00 0.00 H new ATOM 0 HB3 GLN A 131 2.007 -10.128 -2.958 1.00 0.00 H new ATOM 0 HG2 GLN A 131 0.632 -12.076 -3.376 1.00 0.00 H new ATOM 0 HG3 GLN A 131 1.615 -12.546 -4.748 1.00 0.00 H new ATOM 0 HE21 GLN A 131 4.199 -12.272 -3.845 1.00 0.00 H new ATOM 0 HE22 GLN A 131 4.485 -13.381 -2.500 1.00 0.00 H new ATOM 1025 N ALA A 132 2.286 -7.603 -5.130 1.00 0.00 N ATOM 1026 CA ALA A 132 2.334 -6.174 -4.847 1.00 0.00 C ATOM 1027 C ALA A 132 1.333 -5.410 -5.707 1.00 0.00 C ATOM 1028 O ALA A 132 0.716 -4.447 -5.252 1.00 0.00 O ATOM 1029 CB ALA A 132 3.741 -5.638 -5.069 1.00 0.00 C ATOM 0 H ALA A 132 3.033 -7.938 -5.739 1.00 0.00 H new ATOM 0 HA ALA A 132 2.062 -6.027 -3.802 1.00 0.00 H new ATOM 0 HB1 ALA A 132 3.762 -4.570 -4.854 1.00 0.00 H new ATOM 0 HB2 ALA A 132 4.436 -6.155 -4.407 1.00 0.00 H new ATOM 0 HB3 ALA A 132 4.035 -5.805 -6.105 1.00 0.00 H new ATOM 1035 N ARG A 133 1.178 -5.846 -6.953 1.00 0.00 N ATOM 1036 CA ARG A 133 0.253 -5.201 -7.878 1.00 0.00 C ATOM 1037 C ARG A 133 -1.149 -5.123 -7.280 1.00 0.00 C ATOM 1038 O ARG A 133 -1.786 -4.071 -7.304 1.00 0.00 O ATOM 1039 CB ARG A 133 0.211 -5.963 -9.204 1.00 0.00 C ATOM 1040 CG ARG A 133 -0.496 -5.208 -10.318 1.00 0.00 C ATOM 1041 CD ARG A 133 0.475 -4.349 -11.112 1.00 0.00 C ATOM 1042 NE ARG A 133 -0.165 -3.723 -12.266 1.00 0.00 N ATOM 1043 CZ ARG A 133 0.354 -2.693 -12.926 1.00 0.00 C ATOM 1044 NH1 ARG A 133 1.515 -2.176 -12.547 1.00 0.00 N ATOM 1045 NH2 ARG A 133 -0.289 -2.178 -13.966 1.00 0.00 N ATOM 0 H ARG A 133 1.680 -6.642 -7.345 1.00 0.00 H new ATOM 0 HA ARG A 133 0.609 -4.187 -8.060 1.00 0.00 H new ATOM 0 HB2 ARG A 133 1.231 -6.186 -9.518 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -0.291 -6.918 -9.049 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -0.986 -5.917 -10.985 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -1.277 -4.578 -9.893 1.00 0.00 H new ATOM 0 HD2 ARG A 133 0.889 -3.577 -10.464 1.00 0.00 H new ATOM 0 HD3 ARG A 133 1.310 -4.963 -11.449 1.00 0.00 H new ATOM 0 HE ARG A 133 -1.060 -4.097 -12.583 1.00 0.00 H new ATOM 0 HH11 ARG A 133 2.012 -2.569 -11.747 1.00 0.00 H new ATOM 0 HH12 ARG A 133 1.911 -1.385 -13.055 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -1.183 -2.573 -14.260 1.00 0.00 H new ATOM 0 HH22 ARG A 133 0.110 -1.387 -14.472 1.00 0.00 H new ATOM 1059 N GLN A 134 -1.621 -6.244 -6.744 1.00 0.00 N ATOM 1060 CA GLN A 134 -2.947 -6.302 -6.141 1.00 0.00 C ATOM 1061 C GLN A 134 -3.034 -5.382 -4.928 1.00 0.00 C ATOM 1062 O GLN A 134 -3.845 -4.456 -4.896 1.00 0.00 O ATOM 1063 CB GLN A 134 -3.282 -7.738 -5.732 1.00 0.00 C ATOM 1064 CG GLN A 134 -4.771 -8.041 -5.740 1.00 0.00 C ATOM 1065 CD GLN A 134 -5.469 -7.506 -6.975 1.00 0.00 C ATOM 1066 OE1 GLN A 134 -4.937 -7.579 -8.083 1.00 0.00 O ATOM 1067 NE2 GLN A 134 -6.667 -6.963 -6.790 1.00 0.00 N ATOM 0 H GLN A 134 -1.105 -7.124 -6.715 1.00 0.00 H new ATOM 0 HA GLN A 134 -3.671 -5.965 -6.883 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -2.776 -8.427 -6.408 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -2.887 -7.924 -4.733 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -4.919 -9.119 -5.682 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -5.231 -7.608 -4.851 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -7.070 -6.924 -5.854 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -7.184 -6.585 -7.584 1.00 0.00 H new ATOM 1076 N ALA A 135 -2.194 -5.643 -3.932 1.00 0.00 N ATOM 1077 CA ALA A 135 -2.175 -4.837 -2.717 1.00 0.00 C ATOM 1078 C ALA A 135 -2.456 -3.370 -3.028 1.00 0.00 C ATOM 1079 O ALA A 135 -3.348 -2.760 -2.437 1.00 0.00 O ATOM 1080 CB ALA A 135 -0.837 -4.981 -2.009 1.00 0.00 C ATOM 0 H ALA A 135 -1.518 -6.406 -3.942 1.00 0.00 H new ATOM 0 HA ALA A 135 -2.963 -5.200 -2.057 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -0.837 -4.374 -1.104 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -0.676 -6.026 -1.745 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -0.038 -4.646 -2.670 1.00 0.00 H new ATOM 1086 N LEU A 136 -1.690 -2.810 -3.957 1.00 0.00 N ATOM 1087 CA LEU A 136 -1.856 -1.413 -4.345 1.00 0.00 C ATOM 1088 C LEU A 136 -3.148 -1.217 -5.132 1.00 0.00 C ATOM 1089 O LEU A 136 -3.963 -0.355 -4.802 1.00 0.00 O ATOM 1090 CB LEU A 136 -0.662 -0.950 -5.181 1.00 0.00 C ATOM 1091 CG LEU A 136 -0.825 0.388 -5.902 1.00 0.00 C ATOM 1092 CD1 LEU A 136 0.533 0.965 -6.271 1.00 0.00 C ATOM 1093 CD2 LEU A 136 -1.692 0.224 -7.141 1.00 0.00 C ATOM 0 H LEU A 136 -0.948 -3.301 -4.456 1.00 0.00 H new ATOM 0 HA LEU A 136 -1.910 -0.813 -3.437 1.00 0.00 H new ATOM 0 HB2 LEU A 136 0.209 -0.885 -4.529 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -0.446 -1.717 -5.925 1.00 0.00 H new ATOM 0 HG LEU A 136 -1.321 1.085 -5.226 1.00 0.00 H new ATOM 0 HD11 LEU A 136 0.397 1.917 -6.783 1.00 0.00 H new ATOM 0 HD12 LEU A 136 1.120 1.121 -5.366 1.00 0.00 H new ATOM 0 HD13 LEU A 136 1.057 0.271 -6.928 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -1.797 1.187 -7.642 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -1.225 -0.489 -7.820 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -2.676 -0.143 -6.850 1.00 0.00 H new ATOM 1105 N ASP A 137 -3.330 -2.023 -6.172 1.00 0.00 N ATOM 1106 CA ASP A 137 -4.524 -1.941 -7.004 1.00 0.00 C ATOM 1107 C ASP A 137 -5.780 -1.845 -6.144 1.00 0.00 C ATOM 1108 O ASP A 137 -6.812 -1.337 -6.586 1.00 0.00 O ATOM 1109 CB ASP A 137 -4.614 -3.157 -7.927 1.00 0.00 C ATOM 1110 CG ASP A 137 -3.829 -2.970 -9.210 1.00 0.00 C ATOM 1111 OD1 ASP A 137 -2.744 -2.355 -9.157 1.00 0.00 O ATOM 1112 OD2 ASP A 137 -4.301 -3.439 -10.268 1.00 0.00 O ATOM 0 H ASP A 137 -2.665 -2.741 -6.459 1.00 0.00 H new ATOM 0 HA ASP A 137 -4.452 -1.039 -7.612 1.00 0.00 H new ATOM 0 HB2 ASP A 137 -4.242 -4.036 -7.402 1.00 0.00 H new ATOM 0 HB3 ASP A 137 -5.659 -3.349 -8.169 1.00 0.00 H new ATOM 1117 N LYS A 138 -5.687 -2.337 -4.913 1.00 0.00 N ATOM 1118 CA LYS A 138 -6.815 -2.307 -3.990 1.00 0.00 C ATOM 1119 C LYS A 138 -6.611 -1.243 -2.916 1.00 0.00 C ATOM 1120 O LYS A 138 -7.346 -0.256 -2.857 1.00 0.00 O ATOM 1121 CB LYS A 138 -7.001 -3.678 -3.335 1.00 0.00 C ATOM 1122 CG LYS A 138 -7.277 -4.794 -4.329 1.00 0.00 C ATOM 1123 CD LYS A 138 -8.723 -4.779 -4.796 1.00 0.00 C ATOM 1124 CE LYS A 138 -9.201 -6.173 -5.170 1.00 0.00 C ATOM 1125 NZ LYS A 138 -10.682 -6.296 -5.072 1.00 0.00 N ATOM 0 H LYS A 138 -4.842 -2.761 -4.532 1.00 0.00 H new ATOM 0 HA LYS A 138 -7.711 -2.058 -4.559 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -6.105 -3.924 -2.765 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -7.826 -3.623 -2.625 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -6.615 -4.689 -5.188 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -7.052 -5.756 -3.869 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -9.357 -4.375 -4.007 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -8.822 -4.116 -5.656 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -8.884 -6.405 -6.187 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -8.731 -6.906 -4.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -10.968 -7.261 -5.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -10.983 -6.099 -4.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -11.130 -5.614 -5.717 1.00 0.00 H new ATOM 1139 N LEU A 139 -5.609 -1.449 -2.068 1.00 0.00 N ATOM 1140 CA LEU A 139 -5.307 -0.506 -0.997 1.00 0.00 C ATOM 1141 C LEU A 139 -5.257 0.923 -1.527 1.00 0.00 C ATOM 1142 O LEU A 139 -5.756 1.849 -0.890 1.00 0.00 O ATOM 1143 CB LEU A 139 -3.974 -0.864 -0.336 1.00 0.00 C ATOM 1144 CG LEU A 139 -3.973 -2.120 0.536 1.00 0.00 C ATOM 1145 CD1 LEU A 139 -2.550 -2.526 0.886 1.00 0.00 C ATOM 1146 CD2 LEU A 139 -4.791 -1.893 1.799 1.00 0.00 C ATOM 0 H LEU A 139 -4.992 -2.261 -2.101 1.00 0.00 H new ATOM 0 HA LEU A 139 -6.103 -0.571 -0.255 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -3.225 -0.989 -1.118 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -3.657 -0.020 0.277 1.00 0.00 H new ATOM 0 HG LEU A 139 -4.432 -2.932 -0.029 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -2.569 -3.422 1.507 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -1.995 -2.731 -0.029 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -2.065 -1.717 1.432 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -4.779 -2.797 2.408 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -4.362 -1.068 2.367 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -5.819 -1.651 1.528 1.00 0.00 H new ATOM 1158 N ASN A 140 -4.653 1.093 -2.699 1.00 0.00 N ATOM 1159 CA ASN A 140 -4.539 2.410 -3.316 1.00 0.00 C ATOM 1160 C ASN A 140 -5.845 3.187 -3.182 1.00 0.00 C ATOM 1161 O ASN A 140 -5.850 4.418 -3.185 1.00 0.00 O ATOM 1162 CB ASN A 140 -4.163 2.273 -4.793 1.00 0.00 C ATOM 1163 CG ASN A 140 -4.082 3.614 -5.495 1.00 0.00 C ATOM 1164 OD1 ASN A 140 -4.077 4.665 -4.853 1.00 0.00 O ATOM 1165 ND2 ASN A 140 -4.018 3.585 -6.822 1.00 0.00 N ATOM 0 H ASN A 140 -4.235 0.336 -3.240 1.00 0.00 H new ATOM 0 HA ASN A 140 -3.754 2.961 -2.798 1.00 0.00 H new ATOM 0 HB2 ASN A 140 -3.202 1.764 -4.875 1.00 0.00 H new ATOM 0 HB3 ASN A 140 -4.899 1.646 -5.296 1.00 0.00 H new ATOM 0 HD21 ASN A 140 -3.962 4.456 -7.349 1.00 0.00 H new ATOM 0 HD22 ASN A 140 -4.025 2.691 -7.314 1.00 0.00 H new ATOM 1172 N GLY A 141 -6.952 2.460 -3.065 1.00 0.00 N ATOM 1173 CA GLY A 141 -8.248 3.098 -2.931 1.00 0.00 C ATOM 1174 C GLY A 141 -9.150 2.378 -1.949 1.00 0.00 C ATOM 1175 O GLY A 141 -10.361 2.604 -1.925 1.00 0.00 O ATOM 0 H GLY A 141 -6.974 1.440 -3.061 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -8.110 4.129 -2.604 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -8.734 3.135 -3.906 1.00 0.00 H new ATOM 1179 N PHE A 142 -8.562 1.507 -1.136 1.00 0.00 N ATOM 1180 CA PHE A 142 -9.321 0.748 -0.148 1.00 0.00 C ATOM 1181 C PHE A 142 -9.816 1.658 0.972 1.00 0.00 C ATOM 1182 O PHE A 142 -9.040 2.087 1.825 1.00 0.00 O ATOM 1183 CB PHE A 142 -8.461 -0.376 0.434 1.00 0.00 C ATOM 1184 CG PHE A 142 -9.209 -1.274 1.377 1.00 0.00 C ATOM 1185 CD1 PHE A 142 -9.516 -0.851 2.660 1.00 0.00 C ATOM 1186 CD2 PHE A 142 -9.604 -2.542 0.981 1.00 0.00 C ATOM 1187 CE1 PHE A 142 -10.203 -1.677 3.530 1.00 0.00 C ATOM 1188 CE2 PHE A 142 -10.291 -3.372 1.846 1.00 0.00 C ATOM 1189 CZ PHE A 142 -10.592 -2.938 3.122 1.00 0.00 C ATOM 0 H PHE A 142 -7.561 1.309 -1.142 1.00 0.00 H new ATOM 0 HA PHE A 142 -10.186 0.312 -0.647 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -8.058 -0.975 -0.383 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -7.611 0.061 0.958 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -9.215 0.134 2.984 1.00 0.00 H new ATOM 0 HD2 PHE A 142 -9.372 -2.886 -0.016 1.00 0.00 H new ATOM 0 HE1 PHE A 142 -10.435 -1.336 4.528 1.00 0.00 H new ATOM 0 HE2 PHE A 142 -10.592 -4.358 1.525 1.00 0.00 H new ATOM 0 HZ PHE A 142 -11.131 -3.584 3.800 1.00 0.00 H new ATOM 1199 N GLN A 143 -11.113 1.947 0.962 1.00 0.00 N ATOM 1200 CA GLN A 143 -11.712 2.806 1.977 1.00 0.00 C ATOM 1201 C GLN A 143 -11.670 2.140 3.348 1.00 0.00 C ATOM 1202 O GLN A 143 -12.216 1.052 3.539 1.00 0.00 O ATOM 1203 CB GLN A 143 -13.157 3.141 1.603 1.00 0.00 C ATOM 1204 CG GLN A 143 -13.617 4.499 2.110 1.00 0.00 C ATOM 1205 CD GLN A 143 -15.007 4.862 1.626 1.00 0.00 C ATOM 1206 OE1 GLN A 143 -15.171 5.732 0.770 1.00 0.00 O ATOM 1207 NE2 GLN A 143 -16.017 4.195 2.172 1.00 0.00 N ATOM 0 H GLN A 143 -11.769 1.599 0.263 1.00 0.00 H new ATOM 0 HA GLN A 143 -11.133 3.728 2.024 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -13.258 3.114 0.518 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -13.815 2.370 2.004 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -13.604 4.499 3.200 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -12.911 5.263 1.783 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -15.835 3.482 2.878 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -16.975 4.396 1.885 1.00 0.00 H new ATOM 1216 N LEU A 144 -11.019 2.798 4.301 1.00 0.00 N ATOM 1217 CA LEU A 144 -10.906 2.270 5.655 1.00 0.00 C ATOM 1218 C LEU A 144 -11.174 3.359 6.689 1.00 0.00 C ATOM 1219 O LEU A 144 -10.361 4.265 6.875 1.00 0.00 O ATOM 1220 CB LEU A 144 -9.515 1.673 5.876 1.00 0.00 C ATOM 1221 CG LEU A 144 -9.389 0.669 7.023 1.00 0.00 C ATOM 1222 CD1 LEU A 144 -8.160 -0.206 6.834 1.00 0.00 C ATOM 1223 CD2 LEU A 144 -9.331 1.393 8.361 1.00 0.00 C ATOM 0 H LEU A 144 -10.561 3.699 4.160 1.00 0.00 H new ATOM 0 HA LEU A 144 -11.655 1.487 5.777 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -9.202 1.182 4.954 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -8.816 2.489 6.056 1.00 0.00 H new ATOM 0 HG LEU A 144 -10.270 0.027 7.018 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -8.087 -0.914 7.660 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -8.243 -0.752 5.894 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -7.268 0.420 6.813 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -9.241 0.663 9.166 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -8.468 2.059 8.377 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -10.242 1.976 8.499 1.00 0.00 H new ATOM 1235 N GLU A 145 -12.317 3.262 7.361 1.00 0.00 N ATOM 1236 CA GLU A 145 -12.690 4.239 8.377 1.00 0.00 C ATOM 1237 C GLU A 145 -12.850 5.628 7.764 1.00 0.00 C ATOM 1238 O GLU A 145 -12.270 6.600 8.245 1.00 0.00 O ATOM 1239 CB GLU A 145 -11.640 4.278 9.489 1.00 0.00 C ATOM 1240 CG GLU A 145 -11.586 3.007 10.319 1.00 0.00 C ATOM 1241 CD GLU A 145 -10.718 3.154 11.554 1.00 0.00 C ATOM 1242 OE1 GLU A 145 -10.116 4.233 11.732 1.00 0.00 O ATOM 1243 OE2 GLU A 145 -10.643 2.189 12.344 1.00 0.00 O ATOM 0 H GLU A 145 -13.000 2.518 7.220 1.00 0.00 H new ATOM 0 HA GLU A 145 -13.647 3.936 8.802 1.00 0.00 H new ATOM 0 HB2 GLU A 145 -10.660 4.455 9.046 1.00 0.00 H new ATOM 0 HB3 GLU A 145 -11.850 5.122 10.146 1.00 0.00 H new ATOM 0 HG2 GLU A 145 -12.596 2.731 10.620 1.00 0.00 H new ATOM 0 HG3 GLU A 145 -11.203 2.192 9.705 1.00 0.00 H new ATOM 1250 N ASN A 146 -13.640 5.710 6.698 1.00 0.00 N ATOM 1251 CA ASN A 146 -13.876 6.979 6.018 1.00 0.00 C ATOM 1252 C ASN A 146 -12.561 7.607 5.567 1.00 0.00 C ATOM 1253 O ASN A 146 -12.462 8.824 5.413 1.00 0.00 O ATOM 1254 CB ASN A 146 -14.625 7.944 6.939 1.00 0.00 C ATOM 1255 CG ASN A 146 -15.710 7.252 7.742 1.00 0.00 C ATOM 1256 OD1 ASN A 146 -15.690 7.263 8.973 1.00 0.00 O ATOM 1257 ND2 ASN A 146 -16.665 6.646 7.046 1.00 0.00 N ATOM 0 H ASN A 146 -14.127 4.914 6.287 1.00 0.00 H new ATOM 0 HA ASN A 146 -14.486 6.782 5.136 1.00 0.00 H new ATOM 0 HB2 ASN A 146 -13.917 8.415 7.621 1.00 0.00 H new ATOM 0 HB3 ASN A 146 -15.070 8.740 6.342 1.00 0.00 H new ATOM 0 HD21 ASN A 146 -17.422 6.164 7.531 1.00 0.00 H new ATOM 0 HD22 ASN A 146 -16.642 6.662 6.026 1.00 0.00 H new ATOM 1264 N PHE A 147 -11.552 6.767 5.357 1.00 0.00 N ATOM 1265 CA PHE A 147 -10.242 7.239 4.924 1.00 0.00 C ATOM 1266 C PHE A 147 -9.696 6.368 3.796 1.00 0.00 C ATOM 1267 O PHE A 147 -9.182 5.274 4.034 1.00 0.00 O ATOM 1268 CB PHE A 147 -9.264 7.245 6.100 1.00 0.00 C ATOM 1269 CG PHE A 147 -9.355 8.480 6.950 1.00 0.00 C ATOM 1270 CD1 PHE A 147 -8.891 9.697 6.478 1.00 0.00 C ATOM 1271 CD2 PHE A 147 -9.903 8.423 8.221 1.00 0.00 C ATOM 1272 CE1 PHE A 147 -8.974 10.836 7.258 1.00 0.00 C ATOM 1273 CE2 PHE A 147 -9.989 9.558 9.005 1.00 0.00 C ATOM 1274 CZ PHE A 147 -9.522 10.766 8.523 1.00 0.00 C ATOM 0 H PHE A 147 -11.617 5.756 5.480 1.00 0.00 H new ATOM 0 HA PHE A 147 -10.355 8.257 4.551 1.00 0.00 H new ATOM 0 HB2 PHE A 147 -9.452 6.370 6.723 1.00 0.00 H new ATOM 0 HB3 PHE A 147 -8.248 7.151 5.717 1.00 0.00 H new ATOM 0 HD1 PHE A 147 -8.460 9.757 5.490 1.00 0.00 H new ATOM 0 HD2 PHE A 147 -10.267 7.481 8.604 1.00 0.00 H new ATOM 0 HE1 PHE A 147 -8.610 11.779 6.878 1.00 0.00 H new ATOM 0 HE2 PHE A 147 -10.421 9.501 9.993 1.00 0.00 H new ATOM 0 HZ PHE A 147 -9.586 11.654 9.135 1.00 0.00 H new ATOM 1284 N THR A 148 -9.810 6.861 2.567 1.00 0.00 N ATOM 1285 CA THR A 148 -9.330 6.128 1.402 1.00 0.00 C ATOM 1286 C THR A 148 -7.815 5.959 1.445 1.00 0.00 C ATOM 1287 O THR A 148 -7.068 6.922 1.270 1.00 0.00 O ATOM 1288 CB THR A 148 -9.719 6.839 0.092 1.00 0.00 C ATOM 1289 OG1 THR A 148 -11.124 7.112 0.082 1.00 0.00 O ATOM 1290 CG2 THR A 148 -9.354 5.987 -1.114 1.00 0.00 C ATOM 0 H THR A 148 -10.231 7.765 2.352 1.00 0.00 H new ATOM 0 HA THR A 148 -9.803 5.146 1.428 1.00 0.00 H new ATOM 0 HB THR A 148 -9.167 7.777 0.035 1.00 0.00 H new ATOM 0 HG1 THR A 148 -11.363 7.566 -0.753 1.00 0.00 H new ATOM 0 HG21 THR A 148 -9.638 6.509 -2.028 1.00 0.00 H new ATOM 0 HG22 THR A 148 -8.279 5.805 -1.119 1.00 0.00 H new ATOM 0 HG23 THR A 148 -9.883 5.035 -1.061 1.00 0.00 H new ATOM 1298 N LEU A 149 -7.369 4.730 1.678 1.00 0.00 N ATOM 1299 CA LEU A 149 -5.942 4.434 1.743 1.00 0.00 C ATOM 1300 C LEU A 149 -5.271 4.688 0.397 1.00 0.00 C ATOM 1301 O LEU A 149 -5.757 4.247 -0.644 1.00 0.00 O ATOM 1302 CB LEU A 149 -5.721 2.982 2.170 1.00 0.00 C ATOM 1303 CG LEU A 149 -6.379 2.561 3.484 1.00 0.00 C ATOM 1304 CD1 LEU A 149 -6.130 1.086 3.758 1.00 0.00 C ATOM 1305 CD2 LEU A 149 -5.865 3.413 4.636 1.00 0.00 C ATOM 0 H LEU A 149 -7.974 3.922 1.825 1.00 0.00 H new ATOM 0 HA LEU A 149 -5.492 5.096 2.483 1.00 0.00 H new ATOM 0 HB2 LEU A 149 -6.090 2.331 1.377 1.00 0.00 H new ATOM 0 HB3 LEU A 149 -4.648 2.808 2.252 1.00 0.00 H new ATOM 0 HG LEU A 149 -7.454 2.717 3.395 1.00 0.00 H new ATOM 0 HD11 LEU A 149 -6.606 0.805 4.697 1.00 0.00 H new ATOM 0 HD12 LEU A 149 -6.548 0.490 2.947 1.00 0.00 H new ATOM 0 HD13 LEU A 149 -5.057 0.905 3.826 1.00 0.00 H new ATOM 0 HD21 LEU A 149 -6.345 3.099 5.563 1.00 0.00 H new ATOM 0 HD22 LEU A 149 -4.786 3.290 4.726 1.00 0.00 H new ATOM 0 HD23 LEU A 149 -6.096 4.461 4.445 1.00 0.00 H new ATOM 1317 N LYS A 150 -4.150 5.400 0.426 1.00 0.00 N ATOM 1318 CA LYS A 150 -3.409 5.710 -0.791 1.00 0.00 C ATOM 1319 C LYS A 150 -2.174 4.823 -0.918 1.00 0.00 C ATOM 1320 O LYS A 150 -1.471 4.577 0.062 1.00 0.00 O ATOM 1321 CB LYS A 150 -2.994 7.183 -0.799 1.00 0.00 C ATOM 1322 CG LYS A 150 -4.160 8.144 -0.639 1.00 0.00 C ATOM 1323 CD LYS A 150 -5.430 7.587 -1.259 1.00 0.00 C ATOM 1324 CE LYS A 150 -6.424 8.693 -1.581 1.00 0.00 C ATOM 1325 NZ LYS A 150 -7.620 8.172 -2.300 1.00 0.00 N ATOM 0 H LYS A 150 -3.734 5.773 1.279 1.00 0.00 H new ATOM 0 HA LYS A 150 -4.062 5.518 -1.642 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -2.279 7.355 0.006 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -2.479 7.402 -1.735 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -4.327 8.342 0.420 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -3.914 9.097 -1.106 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -5.183 7.042 -2.170 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -5.888 6.873 -0.574 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -6.739 9.179 -0.657 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -5.936 9.453 -2.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -7.697 8.636 -3.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -7.525 7.145 -2.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -8.475 8.370 -1.741 1.00 0.00 H new ATOM 1339 N VAL A 151 -1.915 4.346 -2.131 1.00 0.00 N ATOM 1340 CA VAL A 151 -0.764 3.489 -2.386 1.00 0.00 C ATOM 1341 C VAL A 151 -0.067 3.877 -3.685 1.00 0.00 C ATOM 1342 O VAL A 151 -0.708 4.030 -4.724 1.00 0.00 O ATOM 1343 CB VAL A 151 -1.174 2.006 -2.460 1.00 0.00 C ATOM 1344 CG1 VAL A 151 0.055 1.116 -2.564 1.00 0.00 C ATOM 1345 CG2 VAL A 151 -2.017 1.626 -1.252 1.00 0.00 C ATOM 0 H VAL A 151 -2.487 4.539 -2.953 1.00 0.00 H new ATOM 0 HA VAL A 151 -0.076 3.627 -1.552 1.00 0.00 H new ATOM 0 HB VAL A 151 -1.776 1.858 -3.356 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -0.255 0.072 -2.615 1.00 0.00 H new ATOM 0 HG12 VAL A 151 0.615 1.373 -3.463 1.00 0.00 H new ATOM 0 HG13 VAL A 151 0.687 1.264 -1.688 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -2.298 0.575 -1.320 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -1.441 1.789 -0.341 1.00 0.00 H new ATOM 0 HG23 VAL A 151 -2.916 2.241 -1.228 1.00 0.00 H new ATOM 1355 N ALA A 152 1.251 4.035 -3.618 1.00 0.00 N ATOM 1356 CA ALA A 152 2.037 4.403 -4.789 1.00 0.00 C ATOM 1357 C ALA A 152 3.373 3.667 -4.808 1.00 0.00 C ATOM 1358 O ALA A 152 4.015 3.502 -3.771 1.00 0.00 O ATOM 1359 CB ALA A 152 2.261 5.908 -4.823 1.00 0.00 C ATOM 0 H ALA A 152 1.797 3.914 -2.765 1.00 0.00 H new ATOM 0 HA ALA A 152 1.478 4.110 -5.677 1.00 0.00 H new ATOM 0 HB1 ALA A 152 2.849 6.168 -5.703 1.00 0.00 H new ATOM 0 HB2 ALA A 152 1.299 6.418 -4.866 1.00 0.00 H new ATOM 0 HB3 ALA A 152 2.796 6.217 -3.925 1.00 0.00 H new ATOM 1365 N TYR A 153 3.784 3.227 -5.992 1.00 0.00 N ATOM 1366 CA TYR A 153 5.042 2.506 -6.144 1.00 0.00 C ATOM 1367 C TYR A 153 6.229 3.404 -5.809 1.00 0.00 C ATOM 1368 O TYR A 153 6.631 4.245 -6.613 1.00 0.00 O ATOM 1369 CB TYR A 153 5.178 1.973 -7.571 1.00 0.00 C ATOM 1370 CG TYR A 153 4.575 0.600 -7.765 1.00 0.00 C ATOM 1371 CD1 TYR A 153 5.198 -0.533 -7.256 1.00 0.00 C ATOM 1372 CD2 TYR A 153 3.380 0.436 -8.456 1.00 0.00 C ATOM 1373 CE1 TYR A 153 4.650 -1.789 -7.431 1.00 0.00 C ATOM 1374 CE2 TYR A 153 2.824 -0.816 -8.635 1.00 0.00 C ATOM 1375 CZ TYR A 153 3.463 -1.925 -8.121 1.00 0.00 C ATOM 1376 OH TYR A 153 2.914 -3.175 -8.296 1.00 0.00 O ATOM 0 H TYR A 153 3.265 3.357 -6.860 1.00 0.00 H new ATOM 0 HA TYR A 153 5.037 1.667 -5.448 1.00 0.00 H new ATOM 0 HB2 TYR A 153 4.699 2.671 -8.258 1.00 0.00 H new ATOM 0 HB3 TYR A 153 6.234 1.938 -7.837 1.00 0.00 H new ATOM 0 HD1 TYR A 153 6.127 -0.430 -6.714 1.00 0.00 H new ATOM 0 HD2 TYR A 153 2.877 1.302 -8.860 1.00 0.00 H new ATOM 0 HE1 TYR A 153 5.148 -2.659 -7.030 1.00 0.00 H new ATOM 0 HE2 TYR A 153 1.895 -0.926 -9.174 1.00 0.00 H new ATOM 0 HH TYR A 153 3.160 -3.749 -7.541 1.00 0.00 H new ATOM 1386 N ILE A 154 6.785 3.218 -4.617 1.00 0.00 N ATOM 1387 CA ILE A 154 7.927 4.009 -4.176 1.00 0.00 C ATOM 1388 C ILE A 154 9.044 3.988 -5.213 1.00 0.00 C ATOM 1389 O ILE A 154 9.354 2.956 -5.807 1.00 0.00 O ATOM 1390 CB ILE A 154 8.480 3.498 -2.832 1.00 0.00 C ATOM 1391 CG1 ILE A 154 7.406 3.588 -1.746 1.00 0.00 C ATOM 1392 CG2 ILE A 154 9.714 4.293 -2.431 1.00 0.00 C ATOM 1393 CD1 ILE A 154 7.934 3.336 -0.351 1.00 0.00 C ATOM 0 H ILE A 154 6.463 2.527 -3.939 1.00 0.00 H new ATOM 0 HA ILE A 154 7.572 5.032 -4.049 1.00 0.00 H new ATOM 0 HB ILE A 154 8.766 2.453 -2.948 1.00 0.00 H new ATOM 0 HG12 ILE A 154 6.949 4.577 -1.780 1.00 0.00 H new ATOM 0 HG13 ILE A 154 6.619 2.866 -1.964 1.00 0.00 H new ATOM 0 HG21 ILE A 154 10.093 3.921 -1.479 1.00 0.00 H new ATOM 0 HG22 ILE A 154 10.482 4.183 -3.196 1.00 0.00 H new ATOM 0 HG23 ILE A 154 9.451 5.346 -2.330 1.00 0.00 H new ATOM 0 HD11 ILE A 154 7.118 3.416 0.367 1.00 0.00 H new ATOM 0 HD12 ILE A 154 8.365 2.336 -0.300 1.00 0.00 H new ATOM 0 HD13 ILE A 154 8.700 4.074 -0.113 1.00 0.00 H new