USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 533 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 97 LYS NZ :NH3+ -140:sc= -5.49! (180deg=-8.11!) USER MOD Set 1.2: A 141 MET CE :methyl -171:sc= -2.05! (180deg=-2.26!) USER MOD Set 2.1: A 91 ASN : amide:sc= -1.54! K(o=-3.5!,f=-2.4) USER MOD Set 2.2: A 107 CYS SG : rot 160:sc= -2 USER MOD Set 3.1: A 89 CYS SG : rot 119:sc= -1.68 USER MOD Set 3.2: A 137 GLN : amide:sc= -0.106 K(o=-1.8,f=-3.6) USER MOD Set 4.1: A 86 SER OG : rot -136:sc= 0.185 USER MOD Set 4.2: A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot -14:sc= 0.437 USER MOD Single : A 79 LYS NZ :NH3+ 177:sc= -2.34 (180deg=-2.38) USER MOD Single : A 81 HIS : no HD1:sc= -4.74! C(o=-4.7!,f=-7.3!) USER MOD Single : A 84 ASN : amide:sc= 0.418 K(o=0.42,f=-0.086) USER MOD Single : A 90 THR OG1 : rot -150:sc= -2.44! USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 TYR OH : rot -30:sc= -0.762 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HD1:sc= -0.0691 X(o=-0.069,f=-0.0073) USER MOD Single : A 118 MET CE :methyl -170:sc= -2.49! (180deg=-2.75!) USER MOD Single : A 133 ASN : amide:sc= -0.0163 K(o=-0.016,f=-0.74) USER MOD Single : A 134 THR OG1 : rot -68:sc= 0.73 USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 HIS : no HD1:sc= -0.136 X(o=-0.14,f=0) USER MOD Single : A 144 GLN : amide:sc= -0.0195 K(o=-0.02,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 109 N THR A 78 -1.628 13.436 9.003 1.00 0.00 N ATOM 110 CA THR A 78 -2.762 12.813 8.332 1.00 0.00 C ATOM 111 C THR A 78 -2.950 11.372 8.794 1.00 0.00 C ATOM 112 O THR A 78 -2.004 10.725 9.243 1.00 0.00 O ATOM 113 CB THR A 78 -2.588 12.831 6.801 1.00 0.00 C ATOM 114 OG1 THR A 78 -1.197 12.780 6.465 1.00 0.00 O ATOM 115 CG2 THR A 78 -3.215 14.080 6.200 1.00 0.00 C ATOM 0 HA THR A 78 -3.645 13.395 8.597 1.00 0.00 H new ATOM 0 HB THR A 78 -3.092 11.957 6.390 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.661 12.972 7.262 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.080 14.071 5.118 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.280 14.100 6.432 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.735 14.965 6.618 1.00 0.00 H new ATOM 123 N LYS A 79 -4.177 10.875 8.679 1.00 0.00 N ATOM 124 CA LYS A 79 -4.490 9.509 9.083 1.00 0.00 C ATOM 125 C LYS A 79 -5.325 8.805 8.019 1.00 0.00 C ATOM 126 O LYS A 79 -6.287 9.370 7.496 1.00 0.00 O ATOM 127 CB LYS A 79 -5.239 9.509 10.417 1.00 0.00 C ATOM 128 CG LYS A 79 -5.211 8.169 11.131 1.00 0.00 C ATOM 129 CD LYS A 79 -4.013 8.056 12.059 1.00 0.00 C ATOM 130 CE LYS A 79 -3.793 6.621 12.513 1.00 0.00 C ATOM 131 NZ LYS A 79 -2.894 5.878 11.588 1.00 0.00 N ATOM 0 H LYS A 79 -4.971 11.398 8.309 1.00 0.00 H new ATOM 0 HA LYS A 79 -3.552 8.967 9.200 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -4.804 10.267 11.068 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.276 9.796 10.242 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.129 8.042 11.704 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -5.180 7.365 10.396 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -3.121 8.418 11.549 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.164 8.695 12.929 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -3.365 6.619 13.515 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -4.753 6.109 12.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.729 4.921 11.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.338 5.814 10.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -1.987 6.380 11.508 1.00 0.00 H new ATOM 145 N LEU A 80 -4.953 7.569 7.704 1.00 0.00 N ATOM 146 CA LEU A 80 -5.670 6.787 6.702 1.00 0.00 C ATOM 147 C LEU A 80 -6.162 5.469 7.291 1.00 0.00 C ATOM 148 O LEU A 80 -5.452 4.813 8.053 1.00 0.00 O ATOM 149 CB LEU A 80 -4.767 6.514 5.498 1.00 0.00 C ATOM 150 CG LEU A 80 -3.897 7.683 5.033 1.00 0.00 C ATOM 151 CD1 LEU A 80 -2.924 7.228 3.956 1.00 0.00 C ATOM 152 CD2 LEU A 80 -4.765 8.823 4.522 1.00 0.00 C ATOM 0 H LEU A 80 -4.160 7.087 8.127 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.535 7.365 6.376 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.114 5.676 5.741 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.393 6.199 4.663 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.322 8.045 5.885 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.313 8.073 3.637 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.280 6.445 4.355 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.481 6.840 3.103 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.129 9.646 4.195 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.367 8.474 3.683 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.422 9.167 5.321 1.00 0.00 H new ATOM 164 N HIS A 81 -7.384 5.086 6.932 1.00 0.00 N ATOM 165 CA HIS A 81 -7.971 3.844 7.423 1.00 0.00 C ATOM 166 C HIS A 81 -7.964 2.773 6.336 1.00 0.00 C ATOM 167 O HIS A 81 -8.165 3.068 5.158 1.00 0.00 O ATOM 168 CB HIS A 81 -9.401 4.088 7.906 1.00 0.00 C ATOM 169 CG HIS A 81 -10.102 2.843 8.353 1.00 0.00 C ATOM 170 ND1 HIS A 81 -10.221 1.720 7.561 1.00 0.00 N ATOM 171 CD2 HIS A 81 -10.723 2.546 9.518 1.00 0.00 C ATOM 172 CE1 HIS A 81 -10.885 0.787 8.219 1.00 0.00 C ATOM 173 NE2 HIS A 81 -11.201 1.263 9.410 1.00 0.00 N ATOM 0 H HIS A 81 -7.986 5.618 6.303 1.00 0.00 H new ATOM 0 HA HIS A 81 -7.368 3.491 8.260 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -9.381 4.800 8.731 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -9.974 4.549 7.101 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -10.824 3.197 10.374 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -11.128 -0.197 7.847 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -11.716 0.760 10.132 1.00 0.00 H new ATOM 182 N VAL A 82 -7.731 1.529 6.740 1.00 0.00 N ATOM 183 CA VAL A 82 -7.698 0.414 5.801 1.00 0.00 C ATOM 184 C VAL A 82 -8.623 -0.711 6.251 1.00 0.00 C ATOM 185 O VAL A 82 -8.735 -0.999 7.442 1.00 0.00 O ATOM 186 CB VAL A 82 -6.271 -0.144 5.642 1.00 0.00 C ATOM 187 CG1 VAL A 82 -6.151 -0.943 4.353 1.00 0.00 C ATOM 188 CG2 VAL A 82 -5.252 0.985 5.675 1.00 0.00 C ATOM 0 H VAL A 82 -7.562 1.268 7.711 1.00 0.00 H new ATOM 0 HA VAL A 82 -8.039 0.800 4.840 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.066 -0.814 6.477 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.136 -1.329 4.258 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.855 -1.775 4.373 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.375 -0.298 3.503 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.249 0.573 5.561 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.453 1.681 4.860 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.323 1.511 6.627 1.00 0.00 H new ATOM 198 N GLY A 83 -9.287 -1.345 5.289 1.00 0.00 N ATOM 199 CA GLY A 83 -10.195 -2.432 5.606 1.00 0.00 C ATOM 200 C GLY A 83 -9.882 -3.694 4.826 1.00 0.00 C ATOM 201 O GLY A 83 -9.142 -3.658 3.845 1.00 0.00 O ATOM 0 H GLY A 83 -9.212 -1.125 4.296 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -10.143 -2.646 6.674 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.218 -2.121 5.393 1.00 0.00 H new ATOM 205 N ASN A 84 -10.448 -4.814 5.266 1.00 0.00 N ATOM 206 CA ASN A 84 -10.224 -6.094 4.603 1.00 0.00 C ATOM 207 C ASN A 84 -8.740 -6.447 4.590 1.00 0.00 C ATOM 208 O ASN A 84 -8.173 -6.750 3.540 1.00 0.00 O ATOM 209 CB ASN A 84 -10.762 -6.052 3.172 1.00 0.00 C ATOM 210 CG ASN A 84 -11.233 -7.411 2.691 1.00 0.00 C ATOM 211 OD1 ASN A 84 -12.176 -7.983 3.238 1.00 0.00 O ATOM 212 ND2 ASN A 84 -10.575 -7.935 1.663 1.00 0.00 N ATOM 0 H ASN A 84 -11.064 -4.861 6.078 1.00 0.00 H new ATOM 0 HA ASN A 84 -10.758 -6.863 5.162 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -11.589 -5.344 3.118 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -9.983 -5.683 2.505 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -10.846 -8.847 1.296 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -9.799 -7.425 1.241 1.00 0.00 H new ATOM 219 N ILE A 85 -8.117 -6.407 5.764 1.00 0.00 N ATOM 220 CA ILE A 85 -6.700 -6.724 5.887 1.00 0.00 C ATOM 221 C ILE A 85 -6.477 -8.232 5.936 1.00 0.00 C ATOM 222 O ILE A 85 -7.384 -8.993 6.273 1.00 0.00 O ATOM 223 CB ILE A 85 -6.088 -6.085 7.147 1.00 0.00 C ATOM 224 CG1 ILE A 85 -6.640 -4.672 7.348 1.00 0.00 C ATOM 225 CG2 ILE A 85 -4.570 -6.057 7.043 1.00 0.00 C ATOM 226 CD1 ILE A 85 -6.294 -3.722 6.222 1.00 0.00 C ATOM 0 H ILE A 85 -8.572 -6.158 6.643 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.207 -6.314 5.006 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.362 -6.688 8.012 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.724 -4.725 7.448 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -6.253 -4.269 8.284 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.152 -5.602 7.941 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.193 -7.075 6.943 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.276 -5.474 6.171 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.717 -2.740 6.432 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.211 -3.639 6.136 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.704 -4.102 5.286 1.00 0.00 H new ATOM 238 N SER A 86 -5.263 -8.656 5.601 1.00 0.00 N ATOM 239 CA SER A 86 -4.920 -10.073 5.605 1.00 0.00 C ATOM 240 C SER A 86 -4.579 -10.546 7.015 1.00 0.00 C ATOM 241 O SER A 86 -4.029 -9.805 7.830 1.00 0.00 O ATOM 242 CB SER A 86 -3.740 -10.337 4.667 1.00 0.00 C ATOM 243 OG SER A 86 -3.060 -11.527 5.026 1.00 0.00 O ATOM 0 H SER A 86 -4.500 -8.038 5.323 1.00 0.00 H new ATOM 0 HA SER A 86 -5.787 -10.632 5.253 1.00 0.00 H new ATOM 0 HB2 SER A 86 -4.098 -10.414 3.640 1.00 0.00 H new ATOM 0 HB3 SER A 86 -3.049 -9.495 4.701 1.00 0.00 H new ATOM 0 HG SER A 86 -2.093 -11.372 4.999 1.00 0.00 H new ATOM 249 N PRO A 87 -4.914 -11.811 7.311 1.00 0.00 N ATOM 250 CA PRO A 87 -4.653 -12.412 8.622 1.00 0.00 C ATOM 251 C PRO A 87 -3.167 -12.645 8.868 1.00 0.00 C ATOM 252 O PRO A 87 -2.750 -12.941 9.988 1.00 0.00 O ATOM 253 CB PRO A 87 -5.400 -13.747 8.555 1.00 0.00 C ATOM 254 CG PRO A 87 -5.467 -14.070 7.102 1.00 0.00 C ATOM 255 CD PRO A 87 -5.573 -12.751 6.389 1.00 0.00 C ATOM 0 HA PRO A 87 -4.978 -11.766 9.438 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -4.873 -14.524 9.110 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -6.397 -13.665 8.989 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -4.579 -14.616 6.782 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.327 -14.703 6.882 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -5.076 -12.777 5.419 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -6.612 -12.475 6.208 1.00 0.00 H new ATOM 263 N THR A 88 -2.369 -12.509 7.813 1.00 0.00 N ATOM 264 CA THR A 88 -0.928 -12.706 7.914 1.00 0.00 C ATOM 265 C THR A 88 -0.175 -11.413 7.621 1.00 0.00 C ATOM 266 O THR A 88 1.052 -11.409 7.515 1.00 0.00 O ATOM 267 CB THR A 88 -0.441 -13.801 6.946 1.00 0.00 C ATOM 268 OG1 THR A 88 -0.494 -13.321 5.598 1.00 0.00 O ATOM 269 CG2 THR A 88 -1.291 -15.056 7.077 1.00 0.00 C ATOM 0 H THR A 88 -2.697 -12.263 6.879 1.00 0.00 H new ATOM 0 HA THR A 88 -0.723 -13.019 8.938 1.00 0.00 H new ATOM 0 HB THR A 88 0.589 -14.051 7.202 1.00 0.00 H new ATOM 0 HG1 THR A 88 -0.182 -14.022 4.989 1.00 0.00 H new ATOM 0 HG21 THR A 88 -0.928 -15.815 6.384 1.00 0.00 H new ATOM 0 HG22 THR A 88 -1.226 -15.435 8.097 1.00 0.00 H new ATOM 0 HG23 THR A 88 -2.329 -14.818 6.844 1.00 0.00 H new ATOM 277 N CYS A 89 -0.917 -10.318 7.493 1.00 0.00 N ATOM 278 CA CYS A 89 -0.318 -9.018 7.212 1.00 0.00 C ATOM 279 C CYS A 89 0.644 -8.611 8.324 1.00 0.00 C ATOM 280 O CYS A 89 0.431 -8.932 9.493 1.00 0.00 O ATOM 281 CB CYS A 89 -1.407 -7.957 7.050 1.00 0.00 C ATOM 282 SG CYS A 89 -0.934 -6.569 5.991 1.00 0.00 S ATOM 0 H CYS A 89 -1.933 -10.305 7.579 1.00 0.00 H new ATOM 0 HA CYS A 89 0.244 -9.097 6.281 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -2.299 -8.428 6.637 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -1.675 -7.574 8.035 1.00 0.00 H new ATOM 0 HG CYS A 89 -1.740 -6.505 4.973 1.00 0.00 H new ATOM 288 N THR A 90 1.705 -7.903 7.950 1.00 0.00 N ATOM 289 CA THR A 90 2.702 -7.455 8.914 1.00 0.00 C ATOM 290 C THR A 90 2.768 -5.933 8.970 1.00 0.00 C ATOM 291 O THR A 90 2.799 -5.266 7.936 1.00 0.00 O ATOM 292 CB THR A 90 4.100 -8.005 8.575 1.00 0.00 C ATOM 293 OG1 THR A 90 4.415 -7.731 7.205 1.00 0.00 O ATOM 294 CG2 THR A 90 4.166 -9.504 8.825 1.00 0.00 C ATOM 0 H THR A 90 1.896 -7.628 6.987 1.00 0.00 H new ATOM 0 HA THR A 90 2.395 -7.839 9.887 1.00 0.00 H new ATOM 0 HB THR A 90 4.827 -7.512 9.220 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.009 -8.430 6.860 1.00 0.00 H new ATOM 0 HG21 THR A 90 5.163 -9.870 8.579 1.00 0.00 H new ATOM 0 HG22 THR A 90 3.954 -9.708 9.875 1.00 0.00 H new ATOM 0 HG23 THR A 90 3.429 -10.010 8.201 1.00 0.00 H new ATOM 302 N ASN A 91 2.790 -5.389 10.182 1.00 0.00 N ATOM 303 CA ASN A 91 2.853 -3.945 10.372 1.00 0.00 C ATOM 304 C ASN A 91 3.937 -3.327 9.494 1.00 0.00 C ATOM 305 O ASN A 91 3.862 -2.153 9.133 1.00 0.00 O ATOM 306 CB ASN A 91 3.120 -3.613 11.841 1.00 0.00 C ATOM 307 CG ASN A 91 2.494 -2.297 12.260 1.00 0.00 C ATOM 308 OD1 ASN A 91 2.113 -2.119 13.418 1.00 0.00 O ATOM 309 ND2 ASN A 91 2.384 -1.368 11.318 1.00 0.00 N ATOM 0 H ASN A 91 2.765 -5.927 11.048 1.00 0.00 H new ATOM 0 HA ASN A 91 1.891 -3.524 10.081 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.729 -4.414 12.468 1.00 0.00 H new ATOM 0 HB3 ASN A 91 4.196 -3.571 12.011 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.970 -0.463 11.540 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.713 -1.560 10.372 1.00 0.00 H new ATOM 316 N GLN A 92 4.942 -4.127 9.154 1.00 0.00 N ATOM 317 CA GLN A 92 6.042 -3.659 8.318 1.00 0.00 C ATOM 318 C GLN A 92 5.644 -3.658 6.846 1.00 0.00 C ATOM 319 O GLN A 92 6.126 -2.839 6.064 1.00 0.00 O ATOM 320 CB GLN A 92 7.277 -4.538 8.524 1.00 0.00 C ATOM 321 CG GLN A 92 8.589 -3.801 8.311 1.00 0.00 C ATOM 322 CD GLN A 92 9.043 -3.048 9.546 1.00 0.00 C ATOM 323 OE1 GLN A 92 8.681 -1.888 9.748 1.00 0.00 O ATOM 324 NE2 GLN A 92 9.841 -3.704 10.380 1.00 0.00 N ATOM 0 H GLN A 92 5.018 -5.102 9.444 1.00 0.00 H new ATOM 0 HA GLN A 92 6.279 -2.637 8.612 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.258 -4.945 9.535 1.00 0.00 H new ATOM 0 HB3 GLN A 92 7.229 -5.384 7.838 1.00 0.00 H new ATOM 0 HG2 GLN A 92 9.360 -4.515 8.022 1.00 0.00 H new ATOM 0 HG3 GLN A 92 8.477 -3.100 7.484 1.00 0.00 H new ATOM 0 HE21 GLN A 92 10.116 -4.664 10.173 1.00 0.00 H new ATOM 0 HE22 GLN A 92 10.179 -3.248 11.227 1.00 0.00 H new ATOM 333 N GLU A 93 4.762 -4.581 6.475 1.00 0.00 N ATOM 334 CA GLU A 93 4.301 -4.686 5.096 1.00 0.00 C ATOM 335 C GLU A 93 3.386 -3.519 4.738 1.00 0.00 C ATOM 336 O GLU A 93 3.573 -2.859 3.715 1.00 0.00 O ATOM 337 CB GLU A 93 3.566 -6.010 4.880 1.00 0.00 C ATOM 338 CG GLU A 93 4.491 -7.182 4.597 1.00 0.00 C ATOM 339 CD GLU A 93 4.919 -7.249 3.144 1.00 0.00 C ATOM 340 OE1 GLU A 93 4.173 -6.742 2.281 1.00 0.00 O ATOM 341 OE2 GLU A 93 6.001 -7.810 2.871 1.00 0.00 O ATOM 0 H GLU A 93 4.353 -5.266 7.110 1.00 0.00 H new ATOM 0 HA GLU A 93 5.174 -4.653 4.444 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.971 -6.234 5.765 1.00 0.00 H new ATOM 0 HB3 GLU A 93 2.871 -5.898 4.048 1.00 0.00 H new ATOM 0 HG2 GLU A 93 5.375 -7.103 5.229 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.988 -8.111 4.867 1.00 0.00 H new ATOM 348 N LEU A 94 2.395 -3.270 5.587 1.00 0.00 N ATOM 349 CA LEU A 94 1.449 -2.183 5.361 1.00 0.00 C ATOM 350 C LEU A 94 2.168 -0.839 5.295 1.00 0.00 C ATOM 351 O LEU A 94 2.042 -0.104 4.316 1.00 0.00 O ATOM 352 CB LEU A 94 0.397 -2.157 6.471 1.00 0.00 C ATOM 353 CG LEU A 94 -0.837 -1.293 6.207 1.00 0.00 C ATOM 354 CD1 LEU A 94 -1.502 -1.697 4.901 1.00 0.00 C ATOM 355 CD2 LEU A 94 -1.820 -1.399 7.364 1.00 0.00 C ATOM 0 H LEU A 94 2.226 -3.806 6.438 1.00 0.00 H new ATOM 0 HA LEU A 94 0.956 -2.357 4.405 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.067 -3.179 6.655 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.873 -1.806 7.387 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.518 -0.254 6.122 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.378 -1.071 4.730 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.798 -1.568 4.079 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.808 -2.742 4.956 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.692 -0.778 7.159 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.133 -2.436 7.481 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.340 -1.059 8.282 1.00 0.00 H new ATOM 367 N ARG A 95 2.924 -0.527 6.343 1.00 0.00 N ATOM 368 CA ARG A 95 3.665 0.727 6.404 1.00 0.00 C ATOM 369 C ARG A 95 4.553 0.894 5.174 1.00 0.00 C ATOM 370 O ARG A 95 4.342 1.794 4.362 1.00 0.00 O ATOM 371 CB ARG A 95 4.517 0.780 7.673 1.00 0.00 C ATOM 372 CG ARG A 95 5.469 1.964 7.718 1.00 0.00 C ATOM 373 CD ARG A 95 6.428 1.863 8.894 1.00 0.00 C ATOM 374 NE ARG A 95 7.461 2.894 8.848 1.00 0.00 N ATOM 375 CZ ARG A 95 8.617 2.806 9.498 1.00 0.00 C ATOM 376 NH1 ARG A 95 8.885 1.740 10.239 1.00 0.00 N ATOM 377 NH2 ARG A 95 9.506 3.787 9.407 1.00 0.00 N ATOM 0 H ARG A 95 3.039 -1.125 7.161 1.00 0.00 H new ATOM 0 HA ARG A 95 2.945 1.545 6.425 1.00 0.00 H new ATOM 0 HB2 ARG A 95 3.859 0.821 8.541 1.00 0.00 H new ATOM 0 HB3 ARG A 95 5.093 -0.142 7.753 1.00 0.00 H new ATOM 0 HG2 ARG A 95 6.036 2.012 6.788 1.00 0.00 H new ATOM 0 HG3 ARG A 95 4.898 2.889 7.791 1.00 0.00 H new ATOM 0 HD2 ARG A 95 5.869 1.951 9.826 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.897 0.879 8.895 1.00 0.00 H new ATOM 0 HE ARG A 95 7.286 3.727 8.286 1.00 0.00 H new ATOM 0 HH11 ARG A 95 8.203 0.985 10.311 1.00 0.00 H new ATOM 0 HH12 ARG A 95 9.773 1.675 10.737 1.00 0.00 H new ATOM 0 HH21 ARG A 95 9.302 4.609 8.838 1.00 0.00 H new ATOM 0 HH22 ARG A 95 10.393 3.719 9.906 1.00 0.00 H new ATOM 391 N ALA A 96 5.546 0.021 5.045 1.00 0.00 N ATOM 392 CA ALA A 96 6.465 0.071 3.915 1.00 0.00 C ATOM 393 C ALA A 96 5.731 0.424 2.626 1.00 0.00 C ATOM 394 O ALA A 96 6.199 1.247 1.838 1.00 0.00 O ATOM 395 CB ALA A 96 7.189 -1.259 3.764 1.00 0.00 C ATOM 0 H ALA A 96 5.735 -0.730 5.709 1.00 0.00 H new ATOM 0 HA ALA A 96 7.199 0.852 4.110 1.00 0.00 H new ATOM 0 HB1 ALA A 96 7.872 -1.207 2.916 1.00 0.00 H new ATOM 0 HB2 ALA A 96 7.753 -1.471 4.672 1.00 0.00 H new ATOM 0 HB3 ALA A 96 6.461 -2.052 3.595 1.00 0.00 H new ATOM 401 N LYS A 97 4.579 -0.202 2.416 1.00 0.00 N ATOM 402 CA LYS A 97 3.778 0.046 1.222 1.00 0.00 C ATOM 403 C LYS A 97 3.350 1.508 1.149 1.00 0.00 C ATOM 404 O LYS A 97 3.458 2.145 0.101 1.00 0.00 O ATOM 405 CB LYS A 97 2.544 -0.859 1.213 1.00 0.00 C ATOM 406 CG LYS A 97 2.051 -1.201 -0.182 1.00 0.00 C ATOM 407 CD LYS A 97 1.111 -2.395 -0.164 1.00 0.00 C ATOM 408 CE LYS A 97 -0.265 -2.013 0.359 1.00 0.00 C ATOM 409 NZ LYS A 97 -1.176 -1.585 -0.739 1.00 0.00 N ATOM 0 H LYS A 97 4.178 -0.886 3.058 1.00 0.00 H new ATOM 0 HA LYS A 97 4.392 -0.179 0.350 1.00 0.00 H new ATOM 0 HB2 LYS A 97 2.777 -1.782 1.743 1.00 0.00 H new ATOM 0 HB3 LYS A 97 1.741 -0.369 1.763 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.538 -0.339 -0.609 1.00 0.00 H new ATOM 0 HG3 LYS A 97 2.903 -1.417 -0.827 1.00 0.00 H new ATOM 0 HD2 LYS A 97 1.019 -2.802 -1.171 1.00 0.00 H new ATOM 0 HD3 LYS A 97 1.533 -3.182 0.460 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.703 -2.862 0.884 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.167 -1.206 1.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.743 -0.773 -0.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.614 -1.312 -1.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.808 -2.371 -0.992 1.00 0.00 H new ATOM 423 N PHE A 98 2.866 2.035 2.269 1.00 0.00 N ATOM 424 CA PHE A 98 2.422 3.423 2.331 1.00 0.00 C ATOM 425 C PHE A 98 3.606 4.378 2.214 1.00 0.00 C ATOM 426 O PHE A 98 3.461 5.507 1.747 1.00 0.00 O ATOM 427 CB PHE A 98 1.670 3.682 3.638 1.00 0.00 C ATOM 428 CG PHE A 98 0.199 3.388 3.552 1.00 0.00 C ATOM 429 CD1 PHE A 98 -0.287 2.126 3.852 1.00 0.00 C ATOM 430 CD2 PHE A 98 -0.696 4.374 3.171 1.00 0.00 C ATOM 431 CE1 PHE A 98 -1.640 1.852 3.774 1.00 0.00 C ATOM 432 CE2 PHE A 98 -2.050 4.106 3.092 1.00 0.00 C ATOM 433 CZ PHE A 98 -2.522 2.843 3.393 1.00 0.00 C ATOM 0 H PHE A 98 2.771 1.522 3.146 1.00 0.00 H new ATOM 0 HA PHE A 98 1.750 3.601 1.492 1.00 0.00 H new ATOM 0 HB2 PHE A 98 2.109 3.072 4.427 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.808 4.724 3.927 1.00 0.00 H new ATOM 0 HD1 PHE A 98 0.399 1.347 4.150 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -0.332 5.363 2.933 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -2.006 0.864 4.011 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -2.738 4.884 2.795 1.00 0.00 H new ATOM 0 HZ PHE A 98 -3.579 2.631 3.330 1.00 0.00 H new ATOM 443 N GLU A 99 4.776 3.916 2.643 1.00 0.00 N ATOM 444 CA GLU A 99 5.985 4.730 2.588 1.00 0.00 C ATOM 445 C GLU A 99 6.320 5.109 1.148 1.00 0.00 C ATOM 446 O GLU A 99 7.007 6.099 0.901 1.00 0.00 O ATOM 447 CB GLU A 99 7.161 3.979 3.216 1.00 0.00 C ATOM 448 CG GLU A 99 7.197 4.065 4.733 1.00 0.00 C ATOM 449 CD GLU A 99 8.544 3.673 5.307 1.00 0.00 C ATOM 450 OE1 GLU A 99 9.427 4.552 5.398 1.00 0.00 O ATOM 451 OE2 GLU A 99 8.716 2.490 5.666 1.00 0.00 O ATOM 0 H GLU A 99 4.913 2.983 3.032 1.00 0.00 H new ATOM 0 HA GLU A 99 5.803 5.644 3.154 1.00 0.00 H new ATOM 0 HB2 GLU A 99 7.111 2.931 2.921 1.00 0.00 H new ATOM 0 HB3 GLU A 99 8.092 4.379 2.815 1.00 0.00 H new ATOM 0 HG2 GLU A 99 6.957 5.083 5.041 1.00 0.00 H new ATOM 0 HG3 GLU A 99 6.426 3.416 5.148 1.00 0.00 H new ATOM 458 N GLU A 100 5.830 4.313 0.203 1.00 0.00 N ATOM 459 CA GLU A 100 6.079 4.564 -1.212 1.00 0.00 C ATOM 460 C GLU A 100 5.503 5.913 -1.634 1.00 0.00 C ATOM 461 O GLU A 100 5.975 6.530 -2.589 1.00 0.00 O ATOM 462 CB GLU A 100 5.473 3.448 -2.065 1.00 0.00 C ATOM 463 CG GLU A 100 6.358 2.217 -2.174 1.00 0.00 C ATOM 464 CD GLU A 100 7.817 2.565 -2.392 1.00 0.00 C ATOM 465 OE1 GLU A 100 8.103 3.387 -3.288 1.00 0.00 O ATOM 466 OE2 GLU A 100 8.673 2.016 -1.667 1.00 0.00 O ATOM 0 H GLU A 100 5.259 3.489 0.391 1.00 0.00 H new ATOM 0 HA GLU A 100 7.158 4.584 -1.367 1.00 0.00 H new ATOM 0 HB2 GLU A 100 4.512 3.158 -1.640 1.00 0.00 H new ATOM 0 HB3 GLU A 100 5.276 3.833 -3.065 1.00 0.00 H new ATOM 0 HG2 GLU A 100 6.262 1.623 -1.265 1.00 0.00 H new ATOM 0 HG3 GLU A 100 6.009 1.595 -2.999 1.00 0.00 H new ATOM 473 N TYR A 101 4.480 6.363 -0.917 1.00 0.00 N ATOM 474 CA TYR A 101 3.836 7.636 -1.218 1.00 0.00 C ATOM 475 C TYR A 101 4.477 8.772 -0.426 1.00 0.00 C ATOM 476 O TYR A 101 4.897 9.780 -0.993 1.00 0.00 O ATOM 477 CB TYR A 101 2.341 7.562 -0.905 1.00 0.00 C ATOM 478 CG TYR A 101 1.602 6.524 -1.720 1.00 0.00 C ATOM 479 CD1 TYR A 101 1.541 5.200 -1.304 1.00 0.00 C ATOM 480 CD2 TYR A 101 0.965 6.868 -2.906 1.00 0.00 C ATOM 481 CE1 TYR A 101 0.868 4.249 -2.045 1.00 0.00 C ATOM 482 CE2 TYR A 101 0.288 5.924 -3.653 1.00 0.00 C ATOM 483 CZ TYR A 101 0.243 4.615 -3.219 1.00 0.00 C ATOM 484 OH TYR A 101 -0.429 3.671 -3.960 1.00 0.00 O ATOM 0 H TYR A 101 4.078 5.865 -0.123 1.00 0.00 H new ATOM 0 HA TYR A 101 3.968 7.838 -2.281 1.00 0.00 H new ATOM 0 HB2 TYR A 101 2.211 7.340 0.154 1.00 0.00 H new ATOM 0 HB3 TYR A 101 1.892 8.539 -1.084 1.00 0.00 H new ATOM 0 HD1 TYR A 101 2.028 4.909 -0.385 1.00 0.00 H new ATOM 0 HD2 TYR A 101 1.000 7.891 -3.250 1.00 0.00 H new ATOM 0 HE1 TYR A 101 0.831 3.224 -1.707 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -0.203 6.209 -4.572 1.00 0.00 H new ATOM 0 HH TYR A 101 -0.007 2.795 -3.834 1.00 0.00 H new ATOM 494 N GLY A 102 4.550 8.599 0.890 1.00 0.00 N ATOM 495 CA GLY A 102 5.142 9.616 1.740 1.00 0.00 C ATOM 496 C GLY A 102 5.811 9.028 2.967 1.00 0.00 C ATOM 497 O GLY A 102 5.712 7.832 3.242 1.00 0.00 O ATOM 0 H GLY A 102 4.210 7.773 1.383 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.875 10.183 1.166 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.370 10.319 2.053 1.00 0.00 H new ATOM 501 N PRO A 103 6.512 9.881 3.729 1.00 0.00 N ATOM 502 CA PRO A 103 7.215 9.462 4.945 1.00 0.00 C ATOM 503 C PRO A 103 6.255 9.092 6.071 1.00 0.00 C ATOM 504 O PRO A 103 5.897 9.933 6.896 1.00 0.00 O ATOM 505 CB PRO A 103 8.034 10.698 5.325 1.00 0.00 C ATOM 506 CG PRO A 103 7.291 11.843 4.728 1.00 0.00 C ATOM 507 CD PRO A 103 6.673 11.320 3.461 1.00 0.00 C ATOM 0 HA PRO A 103 7.818 8.569 4.780 1.00 0.00 H new ATOM 0 HB2 PRO A 103 8.117 10.801 6.407 1.00 0.00 H new ATOM 0 HB3 PRO A 103 9.049 10.637 4.932 1.00 0.00 H new ATOM 0 HG2 PRO A 103 6.526 12.211 5.412 1.00 0.00 H new ATOM 0 HG3 PRO A 103 7.961 12.677 4.520 1.00 0.00 H new ATOM 0 HD2 PRO A 103 5.717 11.799 3.253 1.00 0.00 H new ATOM 0 HD3 PRO A 103 7.314 11.499 2.598 1.00 0.00 H new ATOM 515 N VAL A 104 5.842 7.829 6.100 1.00 0.00 N ATOM 516 CA VAL A 104 4.924 7.348 7.125 1.00 0.00 C ATOM 517 C VAL A 104 5.433 7.690 8.521 1.00 0.00 C ATOM 518 O VAL A 104 6.637 7.660 8.779 1.00 0.00 O ATOM 519 CB VAL A 104 4.719 5.825 7.025 1.00 0.00 C ATOM 520 CG1 VAL A 104 3.744 5.346 8.090 1.00 0.00 C ATOM 521 CG2 VAL A 104 4.232 5.444 5.635 1.00 0.00 C ATOM 0 H VAL A 104 6.129 7.120 5.425 1.00 0.00 H new ATOM 0 HA VAL A 104 3.970 7.847 6.956 1.00 0.00 H new ATOM 0 HB VAL A 104 5.677 5.335 7.197 1.00 0.00 H new ATOM 0 HG11 VAL A 104 3.612 4.268 8.004 1.00 0.00 H new ATOM 0 HG12 VAL A 104 4.138 5.585 9.078 1.00 0.00 H new ATOM 0 HG13 VAL A 104 2.783 5.842 7.953 1.00 0.00 H new ATOM 0 HG21 VAL A 104 4.092 4.364 5.582 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.284 5.943 5.432 1.00 0.00 H new ATOM 0 HG23 VAL A 104 4.970 5.751 4.894 1.00 0.00 H new ATOM 531 N ILE A 105 4.508 8.014 9.419 1.00 0.00 N ATOM 532 CA ILE A 105 4.863 8.361 10.790 1.00 0.00 C ATOM 533 C ILE A 105 4.642 7.180 11.729 1.00 0.00 C ATOM 534 O ILE A 105 5.539 6.792 12.476 1.00 0.00 O ATOM 535 CB ILE A 105 4.048 9.565 11.295 1.00 0.00 C ATOM 536 CG1 ILE A 105 4.281 10.781 10.395 1.00 0.00 C ATOM 537 CG2 ILE A 105 4.417 9.887 12.736 1.00 0.00 C ATOM 538 CD1 ILE A 105 3.629 12.046 10.907 1.00 0.00 C ATOM 0 H ILE A 105 3.508 8.043 9.222 1.00 0.00 H new ATOM 0 HA ILE A 105 5.920 8.626 10.786 1.00 0.00 H new ATOM 0 HB ILE A 105 2.989 9.309 11.260 1.00 0.00 H new ATOM 0 HG12 ILE A 105 5.353 10.949 10.296 1.00 0.00 H new ATOM 0 HG13 ILE A 105 3.899 10.563 9.398 1.00 0.00 H new ATOM 0 HG21 ILE A 105 3.833 10.741 13.079 1.00 0.00 H new ATOM 0 HG22 ILE A 105 4.205 9.024 13.367 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.479 10.127 12.795 1.00 0.00 H new ATOM 0 HD11 ILE A 105 3.836 12.866 10.219 1.00 0.00 H new ATOM 0 HD12 ILE A 105 2.552 11.896 10.980 1.00 0.00 H new ATOM 0 HD13 ILE A 105 4.029 12.289 11.892 1.00 0.00 H new ATOM 550 N GLU A 106 3.440 6.613 11.685 1.00 0.00 N ATOM 551 CA GLU A 106 3.101 5.476 12.533 1.00 0.00 C ATOM 552 C GLU A 106 1.946 4.678 11.936 1.00 0.00 C ATOM 553 O GLU A 106 0.873 5.222 11.671 1.00 0.00 O ATOM 554 CB GLU A 106 2.733 5.952 13.940 1.00 0.00 C ATOM 555 CG GLU A 106 2.019 7.293 13.961 1.00 0.00 C ATOM 556 CD GLU A 106 1.924 7.881 15.356 1.00 0.00 C ATOM 557 OE1 GLU A 106 1.477 7.163 16.274 1.00 0.00 O ATOM 558 OE2 GLU A 106 2.297 9.061 15.528 1.00 0.00 O ATOM 0 H GLU A 106 2.686 6.922 11.072 1.00 0.00 H new ATOM 0 HA GLU A 106 3.975 4.828 12.594 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.097 5.204 14.413 1.00 0.00 H new ATOM 0 HB3 GLU A 106 3.641 6.024 14.539 1.00 0.00 H new ATOM 0 HG2 GLU A 106 2.546 7.992 13.311 1.00 0.00 H new ATOM 0 HG3 GLU A 106 1.016 7.173 13.552 1.00 0.00 H new ATOM 565 N CYS A 107 2.174 3.386 11.727 1.00 0.00 N ATOM 566 CA CYS A 107 1.153 2.512 11.159 1.00 0.00 C ATOM 567 C CYS A 107 0.823 1.370 12.115 1.00 0.00 C ATOM 568 O CYS A 107 1.655 0.967 12.927 1.00 0.00 O ATOM 569 CB CYS A 107 1.622 1.949 9.817 1.00 0.00 C ATOM 570 SG CYS A 107 0.694 0.502 9.257 1.00 0.00 S ATOM 0 H CYS A 107 3.056 2.921 11.942 1.00 0.00 H new ATOM 0 HA CYS A 107 0.251 3.103 11.001 1.00 0.00 H new ATOM 0 HB2 CYS A 107 1.546 2.731 9.061 1.00 0.00 H new ATOM 0 HB3 CYS A 107 2.676 1.683 9.896 1.00 0.00 H new ATOM 0 HG CYS A 107 0.851 0.355 7.975 1.00 0.00 H new ATOM 576 N ASP A 108 -0.397 0.855 12.013 1.00 0.00 N ATOM 577 CA ASP A 108 -0.839 -0.240 12.869 1.00 0.00 C ATOM 578 C ASP A 108 -1.865 -1.111 12.152 1.00 0.00 C ATOM 579 O ASP A 108 -2.760 -0.603 11.474 1.00 0.00 O ATOM 580 CB ASP A 108 -1.434 0.307 14.167 1.00 0.00 C ATOM 581 CG ASP A 108 -0.396 0.459 15.262 1.00 0.00 C ATOM 582 OD1 ASP A 108 0.446 -0.451 15.412 1.00 0.00 O ATOM 583 OD2 ASP A 108 -0.425 1.489 15.967 1.00 0.00 O ATOM 0 H ASP A 108 -1.098 1.178 11.346 1.00 0.00 H new ATOM 0 HA ASP A 108 0.029 -0.855 13.107 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -1.896 1.275 13.972 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -2.225 -0.360 14.510 1.00 0.00 H new ATOM 588 N ILE A 109 -1.729 -2.424 12.304 1.00 0.00 N ATOM 589 CA ILE A 109 -2.645 -3.365 11.670 1.00 0.00 C ATOM 590 C ILE A 109 -3.716 -3.834 12.649 1.00 0.00 C ATOM 591 O ILE A 109 -3.449 -4.017 13.837 1.00 0.00 O ATOM 592 CB ILE A 109 -1.897 -4.593 11.118 1.00 0.00 C ATOM 593 CG1 ILE A 109 -1.187 -4.239 9.810 1.00 0.00 C ATOM 594 CG2 ILE A 109 -2.862 -5.750 10.907 1.00 0.00 C ATOM 595 CD1 ILE A 109 -0.168 -5.271 9.377 1.00 0.00 C ATOM 0 H ILE A 109 -0.994 -2.860 12.860 1.00 0.00 H new ATOM 0 HA ILE A 109 -3.119 -2.836 10.843 1.00 0.00 H new ATOM 0 HB ILE A 109 -1.146 -4.900 11.846 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -1.931 -4.122 9.022 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -0.690 -3.276 9.925 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -2.319 -6.610 10.517 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.326 -6.015 11.857 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -3.634 -5.455 10.196 1.00 0.00 H new ATOM 0 HD11 ILE A 109 0.296 -4.955 8.443 1.00 0.00 H new ATOM 0 HD12 ILE A 109 0.598 -5.372 10.146 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -0.663 -6.231 9.230 1.00 0.00 H new ATOM 607 N VAL A 110 -4.929 -4.028 12.142 1.00 0.00 N ATOM 608 CA VAL A 110 -6.041 -4.479 12.970 1.00 0.00 C ATOM 609 C VAL A 110 -6.640 -5.773 12.430 1.00 0.00 C ATOM 610 O VAL A 110 -6.270 -6.239 11.352 1.00 0.00 O ATOM 611 CB VAL A 110 -7.147 -3.410 13.055 1.00 0.00 C ATOM 612 CG1 VAL A 110 -8.037 -3.657 14.263 1.00 0.00 C ATOM 613 CG2 VAL A 110 -6.538 -2.017 13.106 1.00 0.00 C ATOM 0 H VAL A 110 -5.167 -3.880 11.161 1.00 0.00 H new ATOM 0 HA VAL A 110 -5.640 -4.657 13.968 1.00 0.00 H new ATOM 0 HB VAL A 110 -7.765 -3.479 12.160 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -8.812 -2.892 14.306 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -8.501 -4.640 14.178 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -7.436 -3.617 15.172 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -7.333 -1.274 13.166 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -5.896 -1.933 13.983 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -5.948 -1.845 12.206 1.00 0.00 H new ATOM 623 N LYS A 111 -7.568 -6.349 13.186 1.00 0.00 N ATOM 624 CA LYS A 111 -8.221 -7.589 12.784 1.00 0.00 C ATOM 625 C LYS A 111 -8.485 -7.603 11.282 1.00 0.00 C ATOM 626 O LYS A 111 -7.790 -8.283 10.526 1.00 0.00 O ATOM 627 CB LYS A 111 -9.537 -7.767 13.545 1.00 0.00 C ATOM 628 CG LYS A 111 -9.375 -8.470 14.882 1.00 0.00 C ATOM 629 CD LYS A 111 -9.119 -7.480 16.006 1.00 0.00 C ATOM 630 CE LYS A 111 -10.410 -6.827 16.478 1.00 0.00 C ATOM 631 NZ LYS A 111 -11.109 -7.655 17.499 1.00 0.00 N ATOM 0 H LYS A 111 -7.885 -5.977 14.081 1.00 0.00 H new ATOM 0 HA LYS A 111 -7.554 -8.416 13.026 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -9.987 -6.788 13.711 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -10.231 -8.336 12.926 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -10.273 -9.047 15.102 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -8.548 -9.178 14.824 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -8.642 -7.992 16.842 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -8.425 -6.712 15.665 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -10.189 -5.845 16.896 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -11.070 -6.669 15.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -11.983 -7.176 17.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -11.343 -8.583 17.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -10.489 -7.785 18.324 1.00 0.00 H new ATOM 645 N ASP A 112 -9.491 -6.847 10.856 1.00 0.00 N ATOM 646 CA ASP A 112 -9.845 -6.771 9.443 1.00 0.00 C ATOM 647 C ASP A 112 -9.657 -5.353 8.912 1.00 0.00 C ATOM 648 O ASP A 112 -10.072 -5.037 7.797 1.00 0.00 O ATOM 649 CB ASP A 112 -11.292 -7.220 9.233 1.00 0.00 C ATOM 650 CG ASP A 112 -11.404 -8.709 8.973 1.00 0.00 C ATOM 651 OD1 ASP A 112 -10.731 -9.201 8.042 1.00 0.00 O ATOM 652 OD2 ASP A 112 -12.165 -9.383 9.699 1.00 0.00 O ATOM 0 H ASP A 112 -10.076 -6.278 11.469 1.00 0.00 H new ATOM 0 HA ASP A 112 -9.182 -7.438 8.891 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -11.881 -6.963 10.114 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -11.720 -6.674 8.392 1.00 0.00 H new ATOM 657 N TYR A 113 -9.030 -4.503 9.718 1.00 0.00 N ATOM 658 CA TYR A 113 -8.790 -3.118 9.331 1.00 0.00 C ATOM 659 C TYR A 113 -7.379 -2.682 9.714 1.00 0.00 C ATOM 660 O TYR A 113 -6.608 -3.459 10.276 1.00 0.00 O ATOM 661 CB TYR A 113 -9.818 -2.197 9.990 1.00 0.00 C ATOM 662 CG TYR A 113 -10.327 -2.710 11.318 1.00 0.00 C ATOM 663 CD1 TYR A 113 -11.070 -3.882 11.393 1.00 0.00 C ATOM 664 CD2 TYR A 113 -10.066 -2.023 12.497 1.00 0.00 C ATOM 665 CE1 TYR A 113 -11.538 -4.354 12.605 1.00 0.00 C ATOM 666 CE2 TYR A 113 -10.529 -2.489 13.712 1.00 0.00 C ATOM 667 CZ TYR A 113 -11.264 -3.654 13.761 1.00 0.00 C ATOM 668 OH TYR A 113 -11.728 -4.121 14.970 1.00 0.00 O ATOM 0 H TYR A 113 -8.679 -4.749 10.643 1.00 0.00 H new ATOM 0 HA TYR A 113 -8.891 -3.047 8.248 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -9.371 -1.214 10.137 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -10.662 -2.065 9.313 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -11.285 -4.433 10.489 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -9.491 -1.109 12.463 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -12.115 -5.266 12.646 1.00 0.00 H new ATOM 0 HE2 TYR A 113 -10.316 -1.943 14.619 1.00 0.00 H new ATOM 0 HH TYR A 113 -11.447 -3.513 15.685 1.00 0.00 H new ATOM 678 N ALA A 114 -7.050 -1.431 9.408 1.00 0.00 N ATOM 679 CA ALA A 114 -5.734 -0.889 9.722 1.00 0.00 C ATOM 680 C ALA A 114 -5.753 0.636 9.717 1.00 0.00 C ATOM 681 O ALA A 114 -6.736 1.253 9.306 1.00 0.00 O ATOM 682 CB ALA A 114 -4.699 -1.408 8.735 1.00 0.00 C ATOM 0 H ALA A 114 -7.677 -0.774 8.943 1.00 0.00 H new ATOM 0 HA ALA A 114 -5.462 -1.220 10.724 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -3.721 -0.995 8.982 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.657 -2.496 8.790 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -4.976 -1.106 7.725 1.00 0.00 H new ATOM 688 N PHE A 115 -4.662 1.238 10.177 1.00 0.00 N ATOM 689 CA PHE A 115 -4.554 2.692 10.228 1.00 0.00 C ATOM 690 C PHE A 115 -3.117 3.140 9.978 1.00 0.00 C ATOM 691 O PHE A 115 -2.202 2.764 10.711 1.00 0.00 O ATOM 692 CB PHE A 115 -5.035 3.213 11.584 1.00 0.00 C ATOM 693 CG PHE A 115 -6.431 2.782 11.931 1.00 0.00 C ATOM 694 CD1 PHE A 115 -6.667 1.537 12.491 1.00 0.00 C ATOM 695 CD2 PHE A 115 -7.508 3.622 11.698 1.00 0.00 C ATOM 696 CE1 PHE A 115 -7.951 1.137 12.811 1.00 0.00 C ATOM 697 CE2 PHE A 115 -8.794 3.228 12.017 1.00 0.00 C ATOM 698 CZ PHE A 115 -9.015 1.985 12.574 1.00 0.00 C ATOM 0 H PHE A 115 -3.839 0.742 10.520 1.00 0.00 H new ATOM 0 HA PHE A 115 -5.186 3.106 9.443 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -4.353 2.866 12.360 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -4.989 4.302 11.583 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -5.838 0.871 12.680 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -7.341 4.596 11.262 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -8.122 0.163 13.246 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -9.625 3.892 11.830 1.00 0.00 H new ATOM 0 HZ PHE A 115 -10.019 1.676 12.824 1.00 0.00 H new ATOM 708 N VAL A 116 -2.927 3.945 8.938 1.00 0.00 N ATOM 709 CA VAL A 116 -1.602 4.446 8.591 1.00 0.00 C ATOM 710 C VAL A 116 -1.503 5.948 8.829 1.00 0.00 C ATOM 711 O VAL A 116 -2.207 6.736 8.196 1.00 0.00 O ATOM 712 CB VAL A 116 -1.257 4.146 7.120 1.00 0.00 C ATOM 713 CG1 VAL A 116 0.093 4.746 6.755 1.00 0.00 C ATOM 714 CG2 VAL A 116 -1.269 2.646 6.865 1.00 0.00 C ATOM 0 H VAL A 116 -3.674 4.264 8.321 1.00 0.00 H new ATOM 0 HA VAL A 116 -0.890 3.932 9.236 1.00 0.00 H new ATOM 0 HB VAL A 116 -2.016 4.605 6.486 1.00 0.00 H new ATOM 0 HG11 VAL A 116 0.320 4.524 5.712 1.00 0.00 H new ATOM 0 HG12 VAL A 116 0.062 5.826 6.897 1.00 0.00 H new ATOM 0 HG13 VAL A 116 0.866 4.318 7.394 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -1.023 2.452 5.821 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -0.533 2.162 7.507 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -2.260 2.248 7.084 1.00 0.00 H new ATOM 724 N HIS A 117 -0.623 6.340 9.746 1.00 0.00 N ATOM 725 CA HIS A 117 -0.430 7.749 10.067 1.00 0.00 C ATOM 726 C HIS A 117 0.574 8.391 9.114 1.00 0.00 C ATOM 727 O HIS A 117 1.766 8.093 9.161 1.00 0.00 O ATOM 728 CB HIS A 117 0.049 7.904 11.511 1.00 0.00 C ATOM 729 CG HIS A 117 -0.298 9.228 12.118 1.00 0.00 C ATOM 730 ND1 HIS A 117 -1.012 9.354 13.292 1.00 0.00 N ATOM 731 CD2 HIS A 117 -0.023 10.489 11.710 1.00 0.00 C ATOM 732 CE1 HIS A 117 -1.163 10.635 13.577 1.00 0.00 C ATOM 733 NE2 HIS A 117 -0.572 11.345 12.633 1.00 0.00 N ATOM 0 H HIS A 117 -0.033 5.701 10.279 1.00 0.00 H new ATOM 0 HA HIS A 117 -1.388 8.256 9.953 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -0.387 7.110 12.117 1.00 0.00 H new ATOM 0 HB3 HIS A 117 1.130 7.771 11.543 1.00 0.00 H new ATOM 0 HD2 HIS A 117 0.526 10.770 10.823 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -1.682 11.034 14.436 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -0.530 12.363 12.596 1.00 0.00 H new ATOM 742 N MET A 118 0.081 9.273 8.250 1.00 0.00 N ATOM 743 CA MET A 118 0.936 9.957 7.287 1.00 0.00 C ATOM 744 C MET A 118 1.387 11.311 7.825 1.00 0.00 C ATOM 745 O MET A 118 0.825 11.822 8.794 1.00 0.00 O ATOM 746 CB MET A 118 0.197 10.143 5.960 1.00 0.00 C ATOM 747 CG MET A 118 0.380 8.983 4.995 1.00 0.00 C ATOM 748 SD MET A 118 2.112 8.676 4.598 1.00 0.00 S ATOM 749 CE MET A 118 1.987 8.217 2.871 1.00 0.00 C ATOM 0 H MET A 118 -0.905 9.530 8.197 1.00 0.00 H new ATOM 0 HA MET A 118 1.819 9.340 7.120 1.00 0.00 H new ATOM 0 HB2 MET A 118 -0.866 10.274 6.161 1.00 0.00 H new ATOM 0 HB3 MET A 118 0.546 11.059 5.484 1.00 0.00 H new ATOM 0 HG2 MET A 118 -0.054 8.082 5.429 1.00 0.00 H new ATOM 0 HG3 MET A 118 -0.168 9.190 4.076 1.00 0.00 H new ATOM 0 HE1 MET A 118 2.945 7.827 2.528 1.00 0.00 H new ATOM 0 HE2 MET A 118 1.220 7.451 2.753 1.00 0.00 H new ATOM 0 HE3 MET A 118 1.719 9.093 2.280 1.00 0.00 H new ATOM 759 N GLU A 119 2.403 11.887 7.190 1.00 0.00 N ATOM 760 CA GLU A 119 2.929 13.181 7.608 1.00 0.00 C ATOM 761 C GLU A 119 2.256 14.315 6.840 1.00 0.00 C ATOM 762 O GLU A 119 1.599 15.174 7.429 1.00 0.00 O ATOM 763 CB GLU A 119 4.443 13.235 7.395 1.00 0.00 C ATOM 764 CG GLU A 119 5.080 14.528 7.874 1.00 0.00 C ATOM 765 CD GLU A 119 6.572 14.393 8.108 1.00 0.00 C ATOM 766 OE1 GLU A 119 7.234 13.683 7.322 1.00 0.00 O ATOM 767 OE2 GLU A 119 7.077 14.997 9.077 1.00 0.00 O ATOM 0 H GLU A 119 2.878 11.478 6.385 1.00 0.00 H new ATOM 0 HA GLU A 119 2.714 13.306 8.669 1.00 0.00 H new ATOM 0 HB2 GLU A 119 4.905 12.397 7.917 1.00 0.00 H new ATOM 0 HB3 GLU A 119 4.657 13.106 6.334 1.00 0.00 H new ATOM 0 HG2 GLU A 119 4.901 15.311 7.137 1.00 0.00 H new ATOM 0 HG3 GLU A 119 4.598 14.845 8.799 1.00 0.00 H new ATOM 774 N ARG A 120 2.425 14.311 5.521 1.00 0.00 N ATOM 775 CA ARG A 120 1.836 15.339 4.672 1.00 0.00 C ATOM 776 C ARG A 120 0.562 14.829 4.005 1.00 0.00 C ATOM 777 O ARG A 120 0.473 13.663 3.624 1.00 0.00 O ATOM 778 CB ARG A 120 2.838 15.786 3.607 1.00 0.00 C ATOM 779 CG ARG A 120 4.087 16.435 4.179 1.00 0.00 C ATOM 780 CD ARG A 120 3.773 17.778 4.821 1.00 0.00 C ATOM 781 NE ARG A 120 3.437 17.643 6.236 1.00 0.00 N ATOM 782 CZ ARG A 120 2.720 18.535 6.910 1.00 0.00 C ATOM 783 NH1 ARG A 120 2.266 19.621 6.300 1.00 0.00 N ATOM 784 NH2 ARG A 120 2.456 18.342 8.196 1.00 0.00 N ATOM 0 H ARG A 120 2.965 13.607 5.018 1.00 0.00 H new ATOM 0 HA ARG A 120 1.580 16.192 5.301 1.00 0.00 H new ATOM 0 HB2 ARG A 120 3.129 14.922 3.009 1.00 0.00 H new ATOM 0 HB3 ARG A 120 2.349 16.490 2.933 1.00 0.00 H new ATOM 0 HG2 ARG A 120 4.536 15.773 4.919 1.00 0.00 H new ATOM 0 HG3 ARG A 120 4.823 16.572 3.386 1.00 0.00 H new ATOM 0 HD2 ARG A 120 4.632 18.441 4.714 1.00 0.00 H new ATOM 0 HD3 ARG A 120 2.942 18.246 4.294 1.00 0.00 H new ATOM 0 HE ARG A 120 3.771 16.818 6.734 1.00 0.00 H new ATOM 0 HH11 ARG A 120 2.467 19.772 5.312 1.00 0.00 H new ATOM 0 HH12 ARG A 120 1.715 20.305 6.819 1.00 0.00 H new ATOM 0 HH21 ARG A 120 2.804 17.508 8.668 1.00 0.00 H new ATOM 0 HH22 ARG A 120 1.905 19.028 8.712 1.00 0.00 H new ATOM 798 N ALA A 121 -0.422 15.712 3.869 1.00 0.00 N ATOM 799 CA ALA A 121 -1.691 15.352 3.247 1.00 0.00 C ATOM 800 C ALA A 121 -1.488 14.915 1.800 1.00 0.00 C ATOM 801 O ALA A 121 -1.988 13.871 1.383 1.00 0.00 O ATOM 802 CB ALA A 121 -2.663 16.521 3.317 1.00 0.00 C ATOM 0 H ALA A 121 -0.365 16.681 4.181 1.00 0.00 H new ATOM 0 HA ALA A 121 -2.112 14.511 3.797 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -3.606 16.239 2.849 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -2.840 16.785 4.360 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -2.240 17.378 2.792 1.00 0.00 H new ATOM 808 N GLU A 122 -0.753 15.721 1.041 1.00 0.00 N ATOM 809 CA GLU A 122 -0.487 15.417 -0.360 1.00 0.00 C ATOM 810 C GLU A 122 -0.099 13.951 -0.534 1.00 0.00 C ATOM 811 O GLU A 122 -0.489 13.306 -1.508 1.00 0.00 O ATOM 812 CB GLU A 122 0.626 16.318 -0.899 1.00 0.00 C ATOM 813 CG GLU A 122 0.264 17.794 -0.905 1.00 0.00 C ATOM 814 CD GLU A 122 -0.517 18.197 -2.141 1.00 0.00 C ATOM 815 OE1 GLU A 122 -1.370 17.402 -2.588 1.00 0.00 O ATOM 816 OE2 GLU A 122 -0.277 19.307 -2.660 1.00 0.00 O ATOM 0 H GLU A 122 -0.331 16.589 1.372 1.00 0.00 H new ATOM 0 HA GLU A 122 -1.400 15.603 -0.925 1.00 0.00 H new ATOM 0 HB2 GLU A 122 1.522 16.175 -0.296 1.00 0.00 H new ATOM 0 HB3 GLU A 122 0.873 16.009 -1.915 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -0.324 18.024 -0.017 1.00 0.00 H new ATOM 0 HG3 GLU A 122 1.176 18.388 -0.846 1.00 0.00 H new ATOM 823 N ASP A 123 0.673 13.433 0.415 1.00 0.00 N ATOM 824 CA ASP A 123 1.114 12.044 0.368 1.00 0.00 C ATOM 825 C ASP A 123 -0.013 11.102 0.778 1.00 0.00 C ATOM 826 O ASP A 123 -0.232 10.069 0.145 1.00 0.00 O ATOM 827 CB ASP A 123 2.324 11.840 1.281 1.00 0.00 C ATOM 828 CG ASP A 123 3.576 12.501 0.740 1.00 0.00 C ATOM 829 OD1 ASP A 123 3.829 12.384 -0.477 1.00 0.00 O ATOM 830 OD2 ASP A 123 4.304 13.134 1.533 1.00 0.00 O ATOM 0 H ASP A 123 1.006 13.954 1.226 1.00 0.00 H new ATOM 0 HA ASP A 123 1.400 11.814 -0.658 1.00 0.00 H new ATOM 0 HB2 ASP A 123 2.102 12.243 2.269 1.00 0.00 H new ATOM 0 HB3 ASP A 123 2.505 10.772 1.406 1.00 0.00 H new ATOM 835 N ALA A 124 -0.724 11.464 1.840 1.00 0.00 N ATOM 836 CA ALA A 124 -1.829 10.652 2.334 1.00 0.00 C ATOM 837 C ALA A 124 -2.889 10.453 1.255 1.00 0.00 C ATOM 838 O ALA A 124 -3.228 9.323 0.905 1.00 0.00 O ATOM 839 CB ALA A 124 -2.444 11.291 3.570 1.00 0.00 C ATOM 0 H ALA A 124 -0.554 12.315 2.376 1.00 0.00 H new ATOM 0 HA ALA A 124 -1.435 9.672 2.604 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.268 10.673 3.927 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -1.688 11.375 4.351 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -2.817 12.284 3.319 1.00 0.00 H new ATOM 845 N VAL A 125 -3.409 11.559 0.733 1.00 0.00 N ATOM 846 CA VAL A 125 -4.430 11.506 -0.307 1.00 0.00 C ATOM 847 C VAL A 125 -4.009 10.584 -1.445 1.00 0.00 C ATOM 848 O VAL A 125 -4.816 9.813 -1.963 1.00 0.00 O ATOM 849 CB VAL A 125 -4.723 12.906 -0.877 1.00 0.00 C ATOM 850 CG1 VAL A 125 -5.672 12.813 -2.062 1.00 0.00 C ATOM 851 CG2 VAL A 125 -5.295 13.812 0.203 1.00 0.00 C ATOM 0 H VAL A 125 -3.140 12.502 1.013 1.00 0.00 H new ATOM 0 HA VAL A 125 -5.335 11.114 0.158 1.00 0.00 H new ATOM 0 HB VAL A 125 -3.786 13.340 -1.225 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -5.867 13.812 -2.451 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -5.220 12.201 -2.843 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -6.610 12.359 -1.742 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -5.496 14.797 -0.218 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -6.222 13.384 0.584 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -4.577 13.905 1.018 1.00 0.00 H new ATOM 861 N GLU A 126 -2.739 10.669 -1.829 1.00 0.00 N ATOM 862 CA GLU A 126 -2.211 9.841 -2.907 1.00 0.00 C ATOM 863 C GLU A 126 -2.192 8.369 -2.504 1.00 0.00 C ATOM 864 O GLU A 126 -2.708 7.512 -3.220 1.00 0.00 O ATOM 865 CB GLU A 126 -0.800 10.296 -3.285 1.00 0.00 C ATOM 866 CG GLU A 126 -0.776 11.491 -4.223 1.00 0.00 C ATOM 867 CD GLU A 126 -1.383 11.181 -5.578 1.00 0.00 C ATOM 868 OE1 GLU A 126 -0.996 10.159 -6.182 1.00 0.00 O ATOM 869 OE2 GLU A 126 -2.246 11.961 -6.033 1.00 0.00 O ATOM 0 H GLU A 126 -2.058 11.302 -1.410 1.00 0.00 H new ATOM 0 HA GLU A 126 -2.865 9.954 -3.771 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -0.253 10.547 -2.376 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -0.273 9.465 -3.755 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -1.320 12.318 -3.766 1.00 0.00 H new ATOM 0 HG3 GLU A 126 0.254 11.822 -4.357 1.00 0.00 H new ATOM 876 N ALA A 127 -1.592 8.085 -1.353 1.00 0.00 N ATOM 877 CA ALA A 127 -1.506 6.719 -0.853 1.00 0.00 C ATOM 878 C ALA A 127 -2.839 5.994 -1.003 1.00 0.00 C ATOM 879 O ALA A 127 -2.878 4.782 -1.215 1.00 0.00 O ATOM 880 CB ALA A 127 -1.062 6.716 0.603 1.00 0.00 C ATOM 0 H ALA A 127 -1.158 8.783 -0.749 1.00 0.00 H new ATOM 0 HA ALA A 127 -0.764 6.187 -1.449 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -1.002 5.689 0.963 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -0.083 7.187 0.686 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -1.783 7.270 1.204 1.00 0.00 H new ATOM 886 N ILE A 128 -3.930 6.745 -0.891 1.00 0.00 N ATOM 887 CA ILE A 128 -5.266 6.173 -1.015 1.00 0.00 C ATOM 888 C ILE A 128 -5.610 5.892 -2.474 1.00 0.00 C ATOM 889 O ILE A 128 -5.793 4.741 -2.868 1.00 0.00 O ATOM 890 CB ILE A 128 -6.335 7.106 -0.417 1.00 0.00 C ATOM 891 CG1 ILE A 128 -6.115 7.271 1.088 1.00 0.00 C ATOM 892 CG2 ILE A 128 -7.728 6.563 -0.698 1.00 0.00 C ATOM 893 CD1 ILE A 128 -7.000 8.325 1.716 1.00 0.00 C ATOM 0 H ILE A 128 -3.915 7.750 -0.715 1.00 0.00 H new ATOM 0 HA ILE A 128 -5.262 5.236 -0.458 1.00 0.00 H new ATOM 0 HB ILE A 128 -6.246 8.085 -0.887 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -6.296 6.316 1.580 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -5.072 7.530 1.268 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -8.473 7.233 -0.269 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -7.881 6.492 -1.775 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -7.830 5.574 -0.251 1.00 0.00 H new ATOM 0 HD11 ILE A 128 -6.790 8.387 2.784 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -6.803 9.290 1.250 1.00 0.00 H new ATOM 0 HD13 ILE A 128 -8.046 8.057 1.567 1.00 0.00 H new ATOM 905 N ARG A 129 -5.696 6.953 -3.270 1.00 0.00 N ATOM 906 CA ARG A 129 -6.018 6.821 -4.686 1.00 0.00 C ATOM 907 C ARG A 129 -5.223 5.683 -5.321 1.00 0.00 C ATOM 908 O ARG A 129 -5.613 5.141 -6.354 1.00 0.00 O ATOM 909 CB ARG A 129 -5.728 8.131 -5.421 1.00 0.00 C ATOM 910 CG ARG A 129 -6.631 8.368 -6.621 1.00 0.00 C ATOM 911 CD ARG A 129 -6.425 9.756 -7.207 1.00 0.00 C ATOM 912 NE ARG A 129 -5.178 9.852 -7.962 1.00 0.00 N ATOM 913 CZ ARG A 129 -5.059 9.486 -9.233 1.00 0.00 C ATOM 914 NH1 ARG A 129 -6.106 9.002 -9.888 1.00 0.00 N ATOM 915 NH2 ARG A 129 -3.891 9.604 -9.852 1.00 0.00 N ATOM 0 H ARG A 129 -5.547 7.913 -2.959 1.00 0.00 H new ATOM 0 HA ARG A 129 -7.080 6.591 -4.771 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -5.839 8.961 -4.724 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -4.690 8.130 -5.753 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -6.429 7.616 -7.384 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -7.673 8.248 -6.323 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -7.263 10.002 -7.859 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -6.419 10.492 -6.403 1.00 0.00 H new ATOM 0 HE ARG A 129 -4.354 10.220 -7.487 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -7.005 8.910 -9.415 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -6.012 8.722 -10.864 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -3.084 9.976 -9.351 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -3.800 9.323 -10.828 1.00 0.00 H new ATOM 929 N GLY A 130 -4.106 5.326 -4.694 1.00 0.00 N ATOM 930 CA GLY A 130 -3.274 4.256 -5.212 1.00 0.00 C ATOM 931 C GLY A 130 -3.553 2.927 -4.538 1.00 0.00 C ATOM 932 O GLY A 130 -3.827 1.930 -5.206 1.00 0.00 O ATOM 0 H GLY A 130 -3.763 5.759 -3.837 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -3.440 4.158 -6.285 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -2.225 4.517 -5.074 1.00 0.00 H new ATOM 936 N LEU A 131 -3.482 2.912 -3.212 1.00 0.00 N ATOM 937 CA LEU A 131 -3.728 1.694 -2.447 1.00 0.00 C ATOM 938 C LEU A 131 -5.224 1.436 -2.300 1.00 0.00 C ATOM 939 O LEU A 131 -5.638 0.480 -1.644 1.00 0.00 O ATOM 940 CB LEU A 131 -3.079 1.796 -1.065 1.00 0.00 C ATOM 941 CG LEU A 131 -1.595 2.167 -1.047 1.00 0.00 C ATOM 942 CD1 LEU A 131 -1.089 2.272 0.384 1.00 0.00 C ATOM 943 CD2 LEU A 131 -0.781 1.146 -1.829 1.00 0.00 C ATOM 0 H LEU A 131 -3.256 3.729 -2.644 1.00 0.00 H new ATOM 0 HA LEU A 131 -3.285 0.859 -2.989 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -3.626 2.538 -0.483 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -3.200 0.839 -0.557 1.00 0.00 H new ATOM 0 HG LEU A 131 -1.477 3.139 -1.525 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -0.032 2.537 0.378 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -1.652 3.040 0.914 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -1.220 1.314 0.888 1.00 0.00 H new ATOM 0 HD21 LEU A 131 0.272 1.426 -1.806 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -0.905 0.161 -1.380 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -1.127 1.120 -2.862 1.00 0.00 H new ATOM 955 N ASP A 132 -6.030 2.293 -2.917 1.00 0.00 N ATOM 956 CA ASP A 132 -7.481 2.156 -2.858 1.00 0.00 C ATOM 957 C ASP A 132 -7.954 1.004 -3.739 1.00 0.00 C ATOM 958 O ASP A 132 -7.798 1.038 -4.959 1.00 0.00 O ATOM 959 CB ASP A 132 -8.155 3.457 -3.293 1.00 0.00 C ATOM 960 CG ASP A 132 -9.615 3.261 -3.654 1.00 0.00 C ATOM 961 OD1 ASP A 132 -9.891 2.820 -4.789 1.00 0.00 O ATOM 962 OD2 ASP A 132 -10.480 3.547 -2.801 1.00 0.00 O ATOM 0 H ASP A 132 -5.703 3.090 -3.464 1.00 0.00 H new ATOM 0 HA ASP A 132 -7.759 1.939 -1.827 1.00 0.00 H new ATOM 0 HB2 ASP A 132 -8.078 4.189 -2.489 1.00 0.00 H new ATOM 0 HB3 ASP A 132 -7.624 3.869 -4.151 1.00 0.00 H new ATOM 967 N ASN A 133 -8.532 -0.016 -3.112 1.00 0.00 N ATOM 968 CA ASN A 133 -9.027 -1.179 -3.839 1.00 0.00 C ATOM 969 C ASN A 133 -7.880 -1.927 -4.512 1.00 0.00 C ATOM 970 O ASN A 133 -7.942 -2.241 -5.702 1.00 0.00 O ATOM 971 CB ASN A 133 -10.056 -0.752 -4.887 1.00 0.00 C ATOM 972 CG ASN A 133 -11.250 -0.048 -4.270 1.00 0.00 C ATOM 973 OD1 ASN A 133 -11.554 -0.233 -3.092 1.00 0.00 O ATOM 974 ND2 ASN A 133 -11.933 0.765 -5.067 1.00 0.00 N ATOM 0 H ASN A 133 -8.669 -0.060 -2.102 1.00 0.00 H new ATOM 0 HA ASN A 133 -9.504 -1.848 -3.123 1.00 0.00 H new ATOM 0 HB2 ASN A 133 -9.581 -0.090 -5.610 1.00 0.00 H new ATOM 0 HB3 ASN A 133 -10.398 -1.630 -5.435 1.00 0.00 H new ATOM 0 HD21 ASN A 133 -12.746 1.266 -4.709 1.00 0.00 H new ATOM 0 HD22 ASN A 133 -11.645 0.888 -6.038 1.00 0.00 H new ATOM 981 N THR A 134 -6.833 -2.212 -3.743 1.00 0.00 N ATOM 982 CA THR A 134 -5.673 -2.923 -4.264 1.00 0.00 C ATOM 983 C THR A 134 -5.488 -4.263 -3.562 1.00 0.00 C ATOM 984 O THR A 134 -5.483 -4.334 -2.333 1.00 0.00 O ATOM 985 CB THR A 134 -4.386 -2.090 -4.105 1.00 0.00 C ATOM 986 OG1 THR A 134 -4.278 -1.608 -2.761 1.00 0.00 O ATOM 987 CG2 THR A 134 -4.378 -0.917 -5.073 1.00 0.00 C ATOM 0 H THR A 134 -6.765 -1.961 -2.757 1.00 0.00 H new ATOM 0 HA THR A 134 -5.857 -3.095 -5.324 1.00 0.00 H new ATOM 0 HB THR A 134 -3.534 -2.731 -4.330 1.00 0.00 H new ATOM 0 HG1 THR A 134 -4.980 -0.945 -2.594 1.00 0.00 H new ATOM 0 HG21 THR A 134 -3.460 -0.344 -4.942 1.00 0.00 H new ATOM 0 HG22 THR A 134 -4.431 -1.289 -6.096 1.00 0.00 H new ATOM 0 HG23 THR A 134 -5.237 -0.276 -4.875 1.00 0.00 H new ATOM 995 N GLU A 135 -5.335 -5.322 -4.349 1.00 0.00 N ATOM 996 CA GLU A 135 -5.149 -6.661 -3.801 1.00 0.00 C ATOM 997 C GLU A 135 -3.899 -6.722 -2.928 1.00 0.00 C ATOM 998 O GLU A 135 -2.785 -6.871 -3.429 1.00 0.00 O ATOM 999 CB GLU A 135 -5.047 -7.689 -4.929 1.00 0.00 C ATOM 1000 CG GLU A 135 -5.042 -9.128 -4.443 1.00 0.00 C ATOM 1001 CD GLU A 135 -4.812 -10.123 -5.564 1.00 0.00 C ATOM 1002 OE1 GLU A 135 -3.910 -9.884 -6.394 1.00 0.00 O ATOM 1003 OE2 GLU A 135 -5.535 -11.140 -5.611 1.00 0.00 O ATOM 0 H GLU A 135 -5.336 -5.280 -5.368 1.00 0.00 H new ATOM 0 HA GLU A 135 -6.015 -6.896 -3.183 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -5.883 -7.549 -5.614 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -4.135 -7.503 -5.497 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -4.264 -9.250 -3.689 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -5.993 -9.347 -3.958 1.00 0.00 H new ATOM 1010 N PHE A 136 -4.093 -6.606 -1.618 1.00 0.00 N ATOM 1011 CA PHE A 136 -2.982 -6.647 -0.674 1.00 0.00 C ATOM 1012 C PHE A 136 -2.992 -7.949 0.122 1.00 0.00 C ATOM 1013 O PHE A 136 -4.025 -8.355 0.654 1.00 0.00 O ATOM 1014 CB PHE A 136 -3.052 -5.453 0.280 1.00 0.00 C ATOM 1015 CG PHE A 136 -1.806 -5.264 1.097 1.00 0.00 C ATOM 1016 CD1 PHE A 136 -0.555 -5.351 0.506 1.00 0.00 C ATOM 1017 CD2 PHE A 136 -1.885 -5.000 2.454 1.00 0.00 C ATOM 1018 CE1 PHE A 136 0.593 -5.179 1.256 1.00 0.00 C ATOM 1019 CE2 PHE A 136 -0.740 -4.827 3.209 1.00 0.00 C ATOM 1020 CZ PHE A 136 0.501 -4.915 2.609 1.00 0.00 C ATOM 0 H PHE A 136 -5.009 -6.483 -1.186 1.00 0.00 H new ATOM 0 HA PHE A 136 -2.053 -6.596 -1.242 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -3.239 -4.548 -0.297 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -3.901 -5.584 0.951 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -0.477 -5.555 -0.552 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -2.853 -4.928 2.928 1.00 0.00 H new ATOM 0 HE1 PHE A 136 1.562 -5.251 0.784 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -0.816 -4.623 4.267 1.00 0.00 H new ATOM 0 HZ PHE A 136 1.397 -4.778 3.196 1.00 0.00 H new ATOM 1030 N GLN A 137 -1.835 -8.598 0.197 1.00 0.00 N ATOM 1031 CA GLN A 137 -1.711 -9.855 0.926 1.00 0.00 C ATOM 1032 C GLN A 137 -2.681 -10.898 0.382 1.00 0.00 C ATOM 1033 O GLN A 137 -3.075 -11.823 1.091 1.00 0.00 O ATOM 1034 CB GLN A 137 -1.967 -9.631 2.417 1.00 0.00 C ATOM 1035 CG GLN A 137 -0.972 -8.686 3.071 1.00 0.00 C ATOM 1036 CD GLN A 137 0.418 -9.283 3.175 1.00 0.00 C ATOM 1037 OE1 GLN A 137 0.625 -10.459 2.874 1.00 0.00 O ATOM 1038 NE2 GLN A 137 1.379 -8.474 3.603 1.00 0.00 N ATOM 0 H GLN A 137 -0.971 -8.275 -0.238 1.00 0.00 H new ATOM 0 HA GLN A 137 -0.695 -10.226 0.791 1.00 0.00 H new ATOM 0 HB2 GLN A 137 -2.973 -9.233 2.548 1.00 0.00 H new ATOM 0 HB3 GLN A 137 -1.934 -10.592 2.931 1.00 0.00 H new ATOM 0 HG2 GLN A 137 -0.924 -7.761 2.497 1.00 0.00 H new ATOM 0 HG3 GLN A 137 -1.326 -8.424 4.068 1.00 0.00 H new ATOM 0 HE21 GLN A 137 1.162 -7.506 3.841 1.00 0.00 H new ATOM 0 HE22 GLN A 137 2.334 -8.820 3.693 1.00 0.00 H new ATOM 1047 N GLY A 138 -3.062 -10.742 -0.883 1.00 0.00 N ATOM 1048 CA GLY A 138 -3.983 -11.678 -1.500 1.00 0.00 C ATOM 1049 C GLY A 138 -5.395 -11.133 -1.582 1.00 0.00 C ATOM 1050 O GLY A 138 -6.138 -11.448 -2.512 1.00 0.00 O ATOM 0 H GLY A 138 -2.749 -9.985 -1.490 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -3.632 -11.921 -2.503 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -3.988 -12.607 -0.930 1.00 0.00 H new ATOM 1054 N LYS A 139 -5.769 -10.314 -0.604 1.00 0.00 N ATOM 1055 CA LYS A 139 -7.102 -9.724 -0.568 1.00 0.00 C ATOM 1056 C LYS A 139 -7.032 -8.211 -0.750 1.00 0.00 C ATOM 1057 O LYS A 139 -6.083 -7.566 -0.302 1.00 0.00 O ATOM 1058 CB LYS A 139 -7.794 -10.058 0.755 1.00 0.00 C ATOM 1059 CG LYS A 139 -6.915 -9.838 1.974 1.00 0.00 C ATOM 1060 CD LYS A 139 -7.634 -10.222 3.257 1.00 0.00 C ATOM 1061 CE LYS A 139 -7.606 -11.726 3.482 1.00 0.00 C ATOM 1062 NZ LYS A 139 -8.801 -12.196 4.236 1.00 0.00 N ATOM 0 H LYS A 139 -5.167 -10.044 0.174 1.00 0.00 H new ATOM 0 HA LYS A 139 -7.681 -10.145 -1.390 1.00 0.00 H new ATOM 0 HB2 LYS A 139 -8.692 -9.447 0.850 1.00 0.00 H new ATOM 0 HB3 LYS A 139 -8.117 -11.099 0.734 1.00 0.00 H new ATOM 0 HG2 LYS A 139 -6.003 -10.427 1.877 1.00 0.00 H new ATOM 0 HG3 LYS A 139 -6.615 -8.791 2.023 1.00 0.00 H new ATOM 0 HD2 LYS A 139 -7.166 -9.718 4.103 1.00 0.00 H new ATOM 0 HD3 LYS A 139 -8.668 -9.879 3.213 1.00 0.00 H new ATOM 0 HE2 LYS A 139 -7.560 -12.236 2.520 1.00 0.00 H new ATOM 0 HE3 LYS A 139 -6.702 -11.995 4.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 -8.745 -13.226 4.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 -8.832 -11.728 5.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 -9.662 -11.963 3.702 1.00 0.00 H new ATOM 1076 N ARG A 140 -8.042 -7.651 -1.407 1.00 0.00 N ATOM 1077 CA ARG A 140 -8.095 -6.214 -1.647 1.00 0.00 C ATOM 1078 C ARG A 140 -8.622 -5.477 -0.420 1.00 0.00 C ATOM 1079 O ARG A 140 -9.635 -5.864 0.161 1.00 0.00 O ATOM 1080 CB ARG A 140 -8.979 -5.909 -2.857 1.00 0.00 C ATOM 1081 CG ARG A 140 -9.428 -4.459 -2.934 1.00 0.00 C ATOM 1082 CD ARG A 140 -10.530 -4.271 -3.965 1.00 0.00 C ATOM 1083 NE ARG A 140 -11.824 -4.737 -3.475 1.00 0.00 N ATOM 1084 CZ ARG A 140 -12.817 -5.119 -4.270 1.00 0.00 C ATOM 1085 NH1 ARG A 140 -12.665 -5.092 -5.587 1.00 0.00 N ATOM 1086 NH2 ARG A 140 -13.966 -5.531 -3.748 1.00 0.00 N ATOM 0 H ARG A 140 -8.835 -8.171 -1.783 1.00 0.00 H new ATOM 0 HA ARG A 140 -7.082 -5.868 -1.850 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -8.434 -6.160 -3.767 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -9.859 -6.552 -2.825 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -9.784 -4.135 -1.956 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -8.578 -3.827 -3.189 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -10.602 -3.216 -4.231 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -10.271 -4.812 -4.875 1.00 0.00 H new ATOM 0 HE ARG A 140 -11.974 -4.771 -2.467 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -11.783 -4.777 -5.992 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -13.430 -5.386 -6.195 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -14.087 -5.554 -2.735 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -14.728 -5.824 -4.359 1.00 0.00 H new ATOM 1100 N MET A 141 -7.928 -4.413 -0.031 1.00 0.00 N ATOM 1101 CA MET A 141 -8.327 -3.621 1.127 1.00 0.00 C ATOM 1102 C MET A 141 -8.787 -2.230 0.702 1.00 0.00 C ATOM 1103 O MET A 141 -8.318 -1.689 -0.300 1.00 0.00 O ATOM 1104 CB MET A 141 -7.167 -3.506 2.118 1.00 0.00 C ATOM 1105 CG MET A 141 -5.821 -3.271 1.453 1.00 0.00 C ATOM 1106 SD MET A 141 -5.692 -1.636 0.704 1.00 0.00 S ATOM 1107 CE MET A 141 -4.047 -1.154 1.222 1.00 0.00 C ATOM 0 H MET A 141 -7.086 -4.079 -0.501 1.00 0.00 H new ATOM 0 HA MET A 141 -9.161 -4.128 1.612 1.00 0.00 H new ATOM 0 HB2 MET A 141 -7.370 -2.687 2.809 1.00 0.00 H new ATOM 0 HB3 MET A 141 -7.115 -4.419 2.712 1.00 0.00 H new ATOM 0 HG2 MET A 141 -5.029 -3.391 2.192 1.00 0.00 H new ATOM 0 HG3 MET A 141 -5.661 -4.031 0.688 1.00 0.00 H new ATOM 0 HE1 MET A 141 -3.880 -0.106 0.974 1.00 0.00 H new ATOM 0 HE2 MET A 141 -3.949 -1.293 2.299 1.00 0.00 H new ATOM 0 HE3 MET A 141 -3.309 -1.770 0.708 1.00 0.00 H new ATOM 1117 N HIS A 142 -9.708 -1.656 1.470 1.00 0.00 N ATOM 1118 CA HIS A 142 -10.231 -0.327 1.173 1.00 0.00 C ATOM 1119 C HIS A 142 -9.508 0.738 1.992 1.00 0.00 C ATOM 1120 O HIS A 142 -9.518 0.702 3.223 1.00 0.00 O ATOM 1121 CB HIS A 142 -11.732 -0.272 1.455 1.00 0.00 C ATOM 1122 CG HIS A 142 -12.556 -1.048 0.474 1.00 0.00 C ATOM 1123 ND1 HIS A 142 -13.859 -0.724 0.163 1.00 0.00 N ATOM 1124 CD2 HIS A 142 -12.253 -2.138 -0.269 1.00 0.00 C ATOM 1125 CE1 HIS A 142 -14.323 -1.583 -0.727 1.00 0.00 C ATOM 1126 NE2 HIS A 142 -13.368 -2.451 -1.007 1.00 0.00 N ATOM 0 H HIS A 142 -10.107 -2.090 2.302 1.00 0.00 H new ATOM 0 HA HIS A 142 -10.060 -0.125 0.116 1.00 0.00 H new ATOM 0 HB2 HIS A 142 -11.919 -0.656 2.458 1.00 0.00 H new ATOM 0 HB3 HIS A 142 -12.057 0.768 1.447 1.00 0.00 H new ATOM 0 HD2 HIS A 142 -11.310 -2.664 -0.280 1.00 0.00 H new ATOM 0 HE1 HIS A 142 -15.315 -1.576 -1.153 1.00 0.00 H new ATOM 0 HE2 HIS A 142 -13.446 -3.227 -1.664 1.00 0.00 H new ATOM 1135 N VAL A 143 -8.879 1.684 1.301 1.00 0.00 N ATOM 1136 CA VAL A 143 -8.151 2.759 1.964 1.00 0.00 C ATOM 1137 C VAL A 143 -8.885 4.087 1.825 1.00 0.00 C ATOM 1138 O VAL A 143 -9.279 4.477 0.726 1.00 0.00 O ATOM 1139 CB VAL A 143 -6.728 2.908 1.394 1.00 0.00 C ATOM 1140 CG1 VAL A 143 -5.967 3.996 2.136 1.00 0.00 C ATOM 1141 CG2 VAL A 143 -5.985 1.583 1.463 1.00 0.00 C ATOM 0 H VAL A 143 -8.859 1.727 0.282 1.00 0.00 H new ATOM 0 HA VAL A 143 -8.085 2.493 3.019 1.00 0.00 H new ATOM 0 HB VAL A 143 -6.803 3.201 0.347 1.00 0.00 H new ATOM 0 HG11 VAL A 143 -4.964 4.087 1.720 1.00 0.00 H new ATOM 0 HG12 VAL A 143 -6.492 4.945 2.028 1.00 0.00 H new ATOM 0 HG13 VAL A 143 -5.899 3.737 3.193 1.00 0.00 H new ATOM 0 HG21 VAL A 143 -4.981 1.707 1.056 1.00 0.00 H new ATOM 0 HG22 VAL A 143 -5.918 1.257 2.501 1.00 0.00 H new ATOM 0 HG23 VAL A 143 -6.522 0.834 0.881 1.00 0.00 H new ATOM 1151 N GLN A 144 -9.065 4.778 2.946 1.00 0.00 N ATOM 1152 CA GLN A 144 -9.753 6.064 2.949 1.00 0.00 C ATOM 1153 C GLN A 144 -9.255 6.945 4.089 1.00 0.00 C ATOM 1154 O GLN A 144 -8.349 6.565 4.832 1.00 0.00 O ATOM 1155 CB GLN A 144 -11.264 5.858 3.069 1.00 0.00 C ATOM 1156 CG GLN A 144 -11.697 5.304 4.417 1.00 0.00 C ATOM 1157 CD GLN A 144 -13.067 4.657 4.370 1.00 0.00 C ATOM 1158 OE1 GLN A 144 -13.766 4.731 3.359 1.00 0.00 O ATOM 1159 NE2 GLN A 144 -13.458 4.017 5.466 1.00 0.00 N ATOM 0 H GLN A 144 -8.744 4.469 3.864 1.00 0.00 H new ATOM 0 HA GLN A 144 -9.536 6.566 2.006 1.00 0.00 H new ATOM 0 HB2 GLN A 144 -11.767 6.810 2.898 1.00 0.00 H new ATOM 0 HB3 GLN A 144 -11.593 5.178 2.283 1.00 0.00 H new ATOM 0 HG2 GLN A 144 -10.965 4.571 4.756 1.00 0.00 H new ATOM 0 HG3 GLN A 144 -11.705 6.110 5.151 1.00 0.00 H new ATOM 0 HE21 GLN A 144 -12.846 3.981 6.281 1.00 0.00 H new ATOM 0 HE22 GLN A 144 -14.370 3.562 5.493 1.00 0.00 H new ATOM 1168 N LEU A 145 -9.853 8.124 4.224 1.00 0.00 N ATOM 1169 CA LEU A 145 -9.470 9.061 5.275 1.00 0.00 C ATOM 1170 C LEU A 145 -10.025 8.620 6.626 1.00 0.00 C ATOM 1171 O LEU A 145 -11.205 8.293 6.746 1.00 0.00 O ATOM 1172 CB LEU A 145 -9.971 10.467 4.939 1.00 0.00 C ATOM 1173 CG LEU A 145 -9.015 11.344 4.131 1.00 0.00 C ATOM 1174 CD1 LEU A 145 -7.773 11.671 4.945 1.00 0.00 C ATOM 1175 CD2 LEU A 145 -8.635 10.658 2.827 1.00 0.00 C ATOM 0 H LEU A 145 -10.605 8.454 3.619 1.00 0.00 H new ATOM 0 HA LEU A 145 -8.382 9.075 5.337 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -10.905 10.375 4.384 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -10.203 10.981 5.872 1.00 0.00 H new ATOM 0 HG LEU A 145 -9.524 12.278 3.892 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -7.104 12.296 4.353 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -8.062 12.204 5.851 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -7.262 10.747 5.215 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -7.954 11.297 2.265 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -8.146 9.709 3.044 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -9.533 10.476 2.236 1.00 0.00 H new