USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=12 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+ 133:sc= 1.23 (180deg=-0.663!) USER MOD Set 1.2: A 134 THR OG1 : rot -82:sc= 1.26 USER MOD Set 1.3: A 141 MET CE :methyl 136:sc= -0.662 (180deg=-1.13) USER MOD Set 2.1: A 91 ASN : amide:sc= -1.44 K(o=-1.8,f=-0.5) USER MOD Set 2.2: A 107 CYS SG : rot 170:sc= -0.35 USER MOD Set 3.1: A 86 SER OG : rot -146:sc= -0.537 USER MOD Set 3.2: A 88 THR OG1 : rot 180:sc= 0 USER MOD Set 3.3: A 137 GLN : amide:sc= -2.68 K(o=-3.2,f=-6.4!) USER MOD Single : A 78 THR OG1 : rot -27:sc= -0.735 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= -7.74! C(o=-7.7!,f=-7.1!) USER MOD Single : A 84 ASN : amide:sc= -0.0814 X(o=-0.081,f=-0.017) USER MOD Single : A 89 CYS SG : rot 180:sc= -0.0487 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.0628 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 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= -0.52 X(o=-0.52,f=-0.042) USER MOD Single : A 118 MET CE :methyl -170:sc= -0.104 (180deg=-0.253) USER MOD Single : A 133 ASN : amide:sc= -0.948 X(o=-0.95,f=-0.94) USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-0.34) USER MOD Single : A 144 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 109 N THR A 78 -1.691 13.238 9.136 1.00 0.00 N ATOM 110 CA THR A 78 -2.812 12.649 8.414 1.00 0.00 C ATOM 111 C THR A 78 -3.064 11.215 8.864 1.00 0.00 C ATOM 112 O THR A 78 -2.155 10.533 9.339 1.00 0.00 O ATOM 113 CB THR A 78 -2.569 12.663 6.893 1.00 0.00 C ATOM 114 OG1 THR A 78 -1.167 12.570 6.620 1.00 0.00 O ATOM 115 CG2 THR A 78 -3.130 13.932 6.267 1.00 0.00 C ATOM 0 HA THR A 78 -3.688 13.256 8.641 1.00 0.00 H new ATOM 0 HB THR A 78 -3.081 11.805 6.458 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.662 12.943 7.372 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.947 13.920 5.193 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.203 13.985 6.451 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.643 14.801 6.708 1.00 0.00 H new ATOM 123 N LYS A 79 -4.303 10.761 8.711 1.00 0.00 N ATOM 124 CA LYS A 79 -4.675 9.405 9.099 1.00 0.00 C ATOM 125 C LYS A 79 -5.437 8.708 7.977 1.00 0.00 C ATOM 126 O LYS A 79 -6.346 9.283 7.379 1.00 0.00 O ATOM 127 CB LYS A 79 -5.529 9.433 10.369 1.00 0.00 C ATOM 128 CG LYS A 79 -5.505 8.129 11.147 1.00 0.00 C ATOM 129 CD LYS A 79 -4.190 7.946 11.887 1.00 0.00 C ATOM 130 CE LYS A 79 -4.352 7.032 13.092 1.00 0.00 C ATOM 131 NZ LYS A 79 -4.703 7.795 14.322 1.00 0.00 N ATOM 0 H LYS A 79 -5.067 11.312 8.321 1.00 0.00 H new ATOM 0 HA LYS A 79 -3.760 8.846 9.295 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -5.178 10.238 11.015 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.559 9.666 10.099 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.330 8.114 11.859 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -5.659 7.294 10.464 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -3.445 7.528 11.210 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -3.816 8.917 12.213 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -5.129 6.295 12.887 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -3.426 6.481 13.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -4.805 7.137 15.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.950 8.481 14.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -5.600 8.300 14.173 1.00 0.00 H new ATOM 145 N LEU A 80 -5.060 7.465 7.697 1.00 0.00 N ATOM 146 CA LEU A 80 -5.709 6.687 6.647 1.00 0.00 C ATOM 147 C LEU A 80 -6.175 5.335 7.179 1.00 0.00 C ATOM 148 O LEU A 80 -5.366 4.518 7.619 1.00 0.00 O ATOM 149 CB LEU A 80 -4.752 6.483 5.471 1.00 0.00 C ATOM 150 CG LEU A 80 -3.924 7.701 5.060 1.00 0.00 C ATOM 151 CD1 LEU A 80 -2.905 7.320 3.998 1.00 0.00 C ATOM 152 CD2 LEU A 80 -4.830 8.816 4.557 1.00 0.00 C ATOM 0 H LEU A 80 -4.309 6.974 8.182 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.582 7.242 6.305 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.068 5.672 5.721 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.333 6.156 4.609 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.386 8.064 5.936 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.325 8.199 3.718 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.236 6.555 4.393 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.422 6.932 3.120 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.224 9.675 4.269 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.395 8.464 3.694 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.521 9.108 5.348 1.00 0.00 H new ATOM 164 N HIS A 81 -7.483 5.106 7.134 1.00 0.00 N ATOM 165 CA HIS A 81 -8.057 3.852 7.609 1.00 0.00 C ATOM 166 C HIS A 81 -8.106 2.818 6.488 1.00 0.00 C ATOM 167 O HIS A 81 -8.369 3.153 5.332 1.00 0.00 O ATOM 168 CB HIS A 81 -9.462 4.087 8.164 1.00 0.00 C ATOM 169 CG HIS A 81 -10.183 2.824 8.522 1.00 0.00 C ATOM 170 ND1 HIS A 81 -10.385 1.794 7.628 1.00 0.00 N ATOM 171 CD2 HIS A 81 -10.750 2.428 9.685 1.00 0.00 C ATOM 172 CE1 HIS A 81 -11.047 0.819 8.226 1.00 0.00 C ATOM 173 NE2 HIS A 81 -11.280 1.179 9.475 1.00 0.00 N ATOM 0 H HIS A 81 -8.166 5.772 6.773 1.00 0.00 H new ATOM 0 HA HIS A 81 -7.420 3.468 8.406 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -9.393 4.720 9.049 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -10.049 4.634 7.426 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -10.780 2.990 10.607 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -11.346 -0.113 7.771 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -11.774 0.620 10.171 1.00 0.00 H new ATOM 182 N VAL A 82 -7.851 1.561 6.836 1.00 0.00 N ATOM 183 CA VAL A 82 -7.867 0.479 5.860 1.00 0.00 C ATOM 184 C VAL A 82 -8.824 -0.629 6.283 1.00 0.00 C ATOM 185 O VAL A 82 -9.018 -0.876 7.473 1.00 0.00 O ATOM 186 CB VAL A 82 -6.461 -0.120 5.663 1.00 0.00 C ATOM 187 CG1 VAL A 82 -6.381 -0.870 4.342 1.00 0.00 C ATOM 188 CG2 VAL A 82 -5.404 0.971 5.731 1.00 0.00 C ATOM 0 H VAL A 82 -7.631 1.267 7.788 1.00 0.00 H new ATOM 0 HA VAL A 82 -8.207 0.908 4.917 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.270 -0.830 6.468 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.381 -1.286 4.220 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -7.113 -1.677 4.337 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.591 -0.184 3.521 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.417 0.531 5.590 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.589 1.706 4.948 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.448 1.460 6.704 1.00 0.00 H new ATOM 198 N GLY A 83 -9.422 -1.296 5.300 1.00 0.00 N ATOM 199 CA GLY A 83 -10.352 -2.371 5.591 1.00 0.00 C ATOM 200 C GLY A 83 -10.029 -3.640 4.827 1.00 0.00 C ATOM 201 O GLY A 83 -9.353 -3.599 3.800 1.00 0.00 O ATOM 0 H GLY A 83 -9.279 -1.111 4.307 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -10.337 -2.581 6.661 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.364 -2.049 5.344 1.00 0.00 H new ATOM 205 N ASN A 84 -10.511 -4.771 5.332 1.00 0.00 N ATOM 206 CA ASN A 84 -10.267 -6.059 4.691 1.00 0.00 C ATOM 207 C ASN A 84 -8.780 -6.396 4.697 1.00 0.00 C ATOM 208 O ASN A 84 -8.189 -6.661 3.650 1.00 0.00 O ATOM 209 CB ASN A 84 -10.793 -6.045 3.254 1.00 0.00 C ATOM 210 CG ASN A 84 -11.246 -7.416 2.791 1.00 0.00 C ATOM 211 OD1 ASN A 84 -12.246 -7.947 3.275 1.00 0.00 O ATOM 212 ND2 ASN A 84 -10.511 -7.995 1.850 1.00 0.00 N ATOM 0 H ASN A 84 -11.072 -4.822 6.182 1.00 0.00 H new ATOM 0 HA ASN A 84 -10.797 -6.825 5.257 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -11.627 -5.346 3.182 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -10.012 -5.679 2.588 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -10.767 -8.918 1.499 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -9.690 -7.517 1.478 1.00 0.00 H new ATOM 219 N ILE A 85 -8.181 -6.386 5.883 1.00 0.00 N ATOM 220 CA ILE A 85 -6.763 -6.693 6.026 1.00 0.00 C ATOM 221 C ILE A 85 -6.535 -8.196 6.146 1.00 0.00 C ATOM 222 O ILE A 85 -7.443 -8.945 6.505 1.00 0.00 O ATOM 223 CB ILE A 85 -6.156 -5.993 7.256 1.00 0.00 C ATOM 224 CG1 ILE A 85 -6.716 -4.575 7.391 1.00 0.00 C ATOM 225 CG2 ILE A 85 -4.639 -5.962 7.153 1.00 0.00 C ATOM 226 CD1 ILE A 85 -6.277 -3.644 6.282 1.00 0.00 C ATOM 0 H ILE A 85 -8.656 -6.169 6.759 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.269 -6.324 5.128 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.428 -6.557 8.148 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.805 -4.623 7.405 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -6.403 -4.159 8.349 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.225 -5.464 8.030 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.257 -6.982 7.100 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.346 -5.418 6.255 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.711 -2.657 6.442 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.190 -3.566 6.281 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.613 -4.037 5.323 1.00 0.00 H new ATOM 238 N SER A 86 -5.316 -8.630 5.843 1.00 0.00 N ATOM 239 CA SER A 86 -4.968 -10.044 5.915 1.00 0.00 C ATOM 240 C SER A 86 -4.462 -10.409 7.308 1.00 0.00 C ATOM 241 O SER A 86 -3.843 -9.602 8.002 1.00 0.00 O ATOM 242 CB SER A 86 -3.905 -10.383 4.869 1.00 0.00 C ATOM 243 OG SER A 86 -3.276 -11.618 5.163 1.00 0.00 O ATOM 0 H SER A 86 -4.553 -8.023 5.545 1.00 0.00 H new ATOM 0 HA SER A 86 -5.867 -10.625 5.710 1.00 0.00 H new ATOM 0 HB2 SER A 86 -4.364 -10.431 3.882 1.00 0.00 H new ATOM 0 HB3 SER A 86 -3.158 -9.590 4.835 1.00 0.00 H new ATOM 0 HG SER A 86 -2.338 -11.582 4.883 1.00 0.00 H new ATOM 249 N PRO A 87 -4.730 -11.655 7.726 1.00 0.00 N ATOM 250 CA PRO A 87 -4.310 -12.156 9.038 1.00 0.00 C ATOM 251 C PRO A 87 -2.800 -12.345 9.131 1.00 0.00 C ATOM 252 O PRO A 87 -2.254 -12.547 10.216 1.00 0.00 O ATOM 253 CB PRO A 87 -5.025 -13.505 9.147 1.00 0.00 C ATOM 254 CG PRO A 87 -5.245 -13.933 7.737 1.00 0.00 C ATOM 255 CD PRO A 87 -5.462 -12.670 6.950 1.00 0.00 C ATOM 0 HA PRO A 87 -4.559 -11.459 9.839 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -4.420 -14.231 9.691 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -5.969 -13.410 9.684 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -4.385 -14.486 7.358 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.108 -14.594 7.660 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -5.074 -12.757 5.935 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -6.521 -12.425 6.866 1.00 0.00 H new ATOM 263 N THR A 88 -2.128 -12.277 7.986 1.00 0.00 N ATOM 264 CA THR A 88 -0.681 -12.441 7.938 1.00 0.00 C ATOM 265 C THR A 88 0.010 -11.127 7.592 1.00 0.00 C ATOM 266 O THR A 88 1.220 -11.092 7.362 1.00 0.00 O ATOM 267 CB THR A 88 -0.270 -13.510 6.908 1.00 0.00 C ATOM 268 OG1 THR A 88 -0.271 -12.948 5.592 1.00 0.00 O ATOM 269 CG2 THR A 88 -1.216 -14.700 6.958 1.00 0.00 C ATOM 0 H THR A 88 -2.564 -12.109 7.079 1.00 0.00 H new ATOM 0 HA THR A 88 -0.367 -12.764 8.931 1.00 0.00 H new ATOM 0 HB THR A 88 0.735 -13.854 7.154 1.00 0.00 H new ATOM 0 HG1 THR A 88 -0.007 -13.634 4.943 1.00 0.00 H new ATOM 0 HG21 THR A 88 -0.906 -15.442 6.222 1.00 0.00 H new ATOM 0 HG22 THR A 88 -1.191 -15.143 7.953 1.00 0.00 H new ATOM 0 HG23 THR A 88 -2.230 -14.368 6.734 1.00 0.00 H new ATOM 277 N CYS A 89 -0.764 -10.048 7.558 1.00 0.00 N ATOM 278 CA CYS A 89 -0.225 -8.730 7.239 1.00 0.00 C ATOM 279 C CYS A 89 0.674 -8.225 8.362 1.00 0.00 C ATOM 280 O CYS A 89 0.292 -8.237 9.533 1.00 0.00 O ATOM 281 CB CYS A 89 -1.363 -7.737 6.995 1.00 0.00 C ATOM 282 SG CYS A 89 -0.809 -6.049 6.660 1.00 0.00 S ATOM 0 H CYS A 89 -1.766 -10.059 7.747 1.00 0.00 H new ATOM 0 HA CYS A 89 0.372 -8.818 6.331 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -1.961 -8.086 6.153 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -2.016 -7.727 7.868 1.00 0.00 H new ATOM 0 HG CYS A 89 -1.842 -5.284 6.465 1.00 0.00 H new ATOM 288 N THR A 90 1.874 -7.782 7.999 1.00 0.00 N ATOM 289 CA THR A 90 2.830 -7.275 8.975 1.00 0.00 C ATOM 290 C THR A 90 2.962 -5.759 8.879 1.00 0.00 C ATOM 291 O THR A 90 2.872 -5.186 7.794 1.00 0.00 O ATOM 292 CB THR A 90 4.219 -7.913 8.785 1.00 0.00 C ATOM 293 OG1 THR A 90 4.760 -7.540 7.513 1.00 0.00 O ATOM 294 CG2 THR A 90 4.135 -9.429 8.881 1.00 0.00 C ATOM 0 H THR A 90 2.207 -7.764 7.035 1.00 0.00 H new ATOM 0 HA THR A 90 2.448 -7.542 9.960 1.00 0.00 H new ATOM 0 HB THR A 90 4.873 -7.550 9.578 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.644 -7.948 7.401 1.00 0.00 H new ATOM 0 HG21 THR A 90 5.128 -9.858 8.744 1.00 0.00 H new ATOM 0 HG22 THR A 90 3.750 -9.711 9.861 1.00 0.00 H new ATOM 0 HG23 THR A 90 3.467 -9.806 8.107 1.00 0.00 H new ATOM 302 N ASN A 91 3.177 -5.115 10.022 1.00 0.00 N ATOM 303 CA ASN A 91 3.322 -3.665 10.066 1.00 0.00 C ATOM 304 C ASN A 91 4.403 -3.196 9.097 1.00 0.00 C ATOM 305 O ASN A 91 4.334 -2.090 8.562 1.00 0.00 O ATOM 306 CB ASN A 91 3.663 -3.208 11.486 1.00 0.00 C ATOM 307 CG ASN A 91 2.426 -2.877 12.299 1.00 0.00 C ATOM 308 OD1 ASN A 91 2.023 -3.642 13.176 1.00 0.00 O ATOM 309 ND2 ASN A 91 1.817 -1.733 12.011 1.00 0.00 N ATOM 0 H ASN A 91 3.255 -5.575 10.929 1.00 0.00 H new ATOM 0 HA ASN A 91 2.372 -3.222 9.766 1.00 0.00 H new ATOM 0 HB2 ASN A 91 4.228 -3.992 11.991 1.00 0.00 H new ATOM 0 HB3 ASN A 91 4.308 -2.331 11.437 1.00 0.00 H new ATOM 0 HD21 ASN A 91 0.980 -1.457 12.525 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.186 -1.130 11.276 1.00 0.00 H new ATOM 316 N GLN A 92 5.400 -4.047 8.875 1.00 0.00 N ATOM 317 CA GLN A 92 6.496 -3.720 7.970 1.00 0.00 C ATOM 318 C GLN A 92 6.020 -3.707 6.521 1.00 0.00 C ATOM 319 O GLN A 92 6.491 -2.910 5.711 1.00 0.00 O ATOM 320 CB GLN A 92 7.639 -4.723 8.135 1.00 0.00 C ATOM 321 CG GLN A 92 8.567 -4.402 9.295 1.00 0.00 C ATOM 322 CD GLN A 92 9.820 -5.255 9.293 1.00 0.00 C ATOM 323 OE1 GLN A 92 9.749 -6.483 9.224 1.00 0.00 O ATOM 324 NE2 GLN A 92 10.978 -4.609 9.368 1.00 0.00 N ATOM 0 H GLN A 92 5.471 -4.967 9.309 1.00 0.00 H new ATOM 0 HA GLN A 92 6.858 -2.723 8.223 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.220 -5.718 8.281 1.00 0.00 H new ATOM 0 HB3 GLN A 92 8.220 -4.754 7.213 1.00 0.00 H new ATOM 0 HG2 GLN A 92 8.848 -3.350 9.250 1.00 0.00 H new ATOM 0 HG3 GLN A 92 8.033 -4.549 10.234 1.00 0.00 H new ATOM 0 HE21 GLN A 92 10.991 -3.591 9.424 1.00 0.00 H new ATOM 0 HE22 GLN A 92 11.854 -5.131 9.370 1.00 0.00 H new ATOM 333 N GLU A 93 5.084 -4.596 6.203 1.00 0.00 N ATOM 334 CA GLU A 93 4.545 -4.687 4.851 1.00 0.00 C ATOM 335 C GLU A 93 3.620 -3.510 4.553 1.00 0.00 C ATOM 336 O GLU A 93 3.853 -2.745 3.617 1.00 0.00 O ATOM 337 CB GLU A 93 3.789 -6.004 4.667 1.00 0.00 C ATOM 338 CG GLU A 93 4.698 -7.210 4.504 1.00 0.00 C ATOM 339 CD GLU A 93 5.052 -7.483 3.055 1.00 0.00 C ATOM 340 OE1 GLU A 93 4.124 -7.698 2.247 1.00 0.00 O ATOM 341 OE2 GLU A 93 6.258 -7.480 2.729 1.00 0.00 O ATOM 0 H GLU A 93 4.684 -5.263 6.863 1.00 0.00 H new ATOM 0 HA GLU A 93 5.380 -4.656 4.152 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.139 -6.163 5.527 1.00 0.00 H new ATOM 0 HB3 GLU A 93 3.145 -5.924 3.791 1.00 0.00 H new ATOM 0 HG2 GLU A 93 5.613 -7.050 5.074 1.00 0.00 H new ATOM 0 HG3 GLU A 93 4.209 -8.088 4.926 1.00 0.00 H new ATOM 348 N LEU A 94 2.571 -3.373 5.356 1.00 0.00 N ATOM 349 CA LEU A 94 1.609 -2.290 5.180 1.00 0.00 C ATOM 350 C LEU A 94 2.309 -0.934 5.184 1.00 0.00 C ATOM 351 O LEU A 94 2.207 -0.170 4.225 1.00 0.00 O ATOM 352 CB LEU A 94 0.552 -2.335 6.285 1.00 0.00 C ATOM 353 CG LEU A 94 -0.755 -1.598 5.993 1.00 0.00 C ATOM 354 CD1 LEU A 94 -1.397 -2.132 4.722 1.00 0.00 C ATOM 355 CD2 LEU A 94 -1.712 -1.725 7.169 1.00 0.00 C ATOM 0 H LEU A 94 2.365 -3.998 6.135 1.00 0.00 H new ATOM 0 HA LEU A 94 1.121 -2.424 4.214 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.318 -3.379 6.494 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.986 -1.917 7.193 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.529 -0.542 5.845 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.326 -1.595 4.531 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.716 -1.990 3.883 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.610 -3.195 4.840 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.637 -1.195 6.944 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.931 -2.778 7.347 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.254 -1.294 8.059 1.00 0.00 H new ATOM 367 N ARG A 95 3.020 -0.645 6.269 1.00 0.00 N ATOM 368 CA ARG A 95 3.737 0.618 6.398 1.00 0.00 C ATOM 369 C ARG A 95 4.602 0.879 5.168 1.00 0.00 C ATOM 370 O ARG A 95 4.456 1.902 4.500 1.00 0.00 O ATOM 371 CB ARG A 95 4.608 0.608 7.655 1.00 0.00 C ATOM 372 CG ARG A 95 5.539 1.805 7.760 1.00 0.00 C ATOM 373 CD ARG A 95 6.380 1.748 9.026 1.00 0.00 C ATOM 374 NE ARG A 95 7.420 2.773 9.040 1.00 0.00 N ATOM 375 CZ ARG A 95 7.212 4.025 9.430 1.00 0.00 C ATOM 376 NH1 ARG A 95 6.009 4.405 9.838 1.00 0.00 N ATOM 377 NH2 ARG A 95 8.209 4.900 9.414 1.00 0.00 N ATOM 0 H ARG A 95 3.115 -1.268 7.071 1.00 0.00 H new ATOM 0 HA ARG A 95 3.002 1.418 6.481 1.00 0.00 H new ATOM 0 HB2 ARG A 95 3.963 0.582 8.533 1.00 0.00 H new ATOM 0 HB3 ARG A 95 5.202 -0.306 7.668 1.00 0.00 H new ATOM 0 HG2 ARG A 95 6.193 1.836 6.889 1.00 0.00 H new ATOM 0 HG3 ARG A 95 4.954 2.724 7.752 1.00 0.00 H new ATOM 0 HD2 ARG A 95 5.735 1.875 9.895 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.840 0.764 9.111 1.00 0.00 H new ATOM 0 HE ARG A 95 8.357 2.513 8.733 1.00 0.00 H new ATOM 0 HH11 ARG A 95 5.240 3.735 9.853 1.00 0.00 H new ATOM 0 HH12 ARG A 95 5.852 5.368 10.137 1.00 0.00 H new ATOM 0 HH21 ARG A 95 9.136 4.611 9.102 1.00 0.00 H new ATOM 0 HH22 ARG A 95 8.048 5.862 9.714 1.00 0.00 H new ATOM 391 N ALA A 96 5.504 -0.052 4.877 1.00 0.00 N ATOM 392 CA ALA A 96 6.392 0.077 3.728 1.00 0.00 C ATOM 393 C ALA A 96 5.624 0.524 2.489 1.00 0.00 C ATOM 394 O ALA A 96 5.940 1.550 1.886 1.00 0.00 O ATOM 395 CB ALA A 96 7.106 -1.240 3.463 1.00 0.00 C ATOM 0 H ALA A 96 5.639 -0.904 5.421 1.00 0.00 H new ATOM 0 HA ALA A 96 7.135 0.841 3.957 1.00 0.00 H new ATOM 0 HB1 ALA A 96 7.766 -1.129 2.602 1.00 0.00 H new ATOM 0 HB2 ALA A 96 7.694 -1.518 4.338 1.00 0.00 H new ATOM 0 HB3 ALA A 96 6.370 -2.018 3.259 1.00 0.00 H new ATOM 401 N LYS A 97 4.614 -0.253 2.112 1.00 0.00 N ATOM 402 CA LYS A 97 3.800 0.063 0.944 1.00 0.00 C ATOM 403 C LYS A 97 3.343 1.517 0.977 1.00 0.00 C ATOM 404 O LYS A 97 3.366 2.209 -0.041 1.00 0.00 O ATOM 405 CB LYS A 97 2.584 -0.864 0.879 1.00 0.00 C ATOM 406 CG LYS A 97 1.541 -0.429 -0.136 1.00 0.00 C ATOM 407 CD LYS A 97 0.263 -1.241 -0.005 1.00 0.00 C ATOM 408 CE LYS A 97 0.328 -2.518 -0.828 1.00 0.00 C ATOM 409 NZ LYS A 97 -1.026 -2.976 -1.248 1.00 0.00 N ATOM 0 H LYS A 97 4.340 -1.106 2.599 1.00 0.00 H new ATOM 0 HA LYS A 97 4.412 -0.087 0.054 1.00 0.00 H new ATOM 0 HB2 LYS A 97 2.919 -1.872 0.634 1.00 0.00 H new ATOM 0 HB3 LYS A 97 2.121 -0.912 1.865 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.317 0.629 0.002 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.943 -0.541 -1.143 1.00 0.00 H new ATOM 0 HD2 LYS A 97 0.095 -1.490 1.043 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.586 -0.640 -0.330 1.00 0.00 H new ATOM 0 HE2 LYS A 97 0.945 -2.350 -1.711 1.00 0.00 H new ATOM 0 HE3 LYS A 97 0.812 -3.302 -0.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.013 -3.216 -2.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.295 -3.816 -0.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.717 -2.216 -1.081 1.00 0.00 H new ATOM 423 N PHE A 98 2.928 1.976 2.153 1.00 0.00 N ATOM 424 CA PHE A 98 2.465 3.349 2.318 1.00 0.00 C ATOM 425 C PHE A 98 3.639 4.324 2.303 1.00 0.00 C ATOM 426 O PHE A 98 3.495 5.479 1.905 1.00 0.00 O ATOM 427 CB PHE A 98 1.685 3.493 3.626 1.00 0.00 C ATOM 428 CG PHE A 98 0.224 3.170 3.492 1.00 0.00 C ATOM 429 CD1 PHE A 98 -0.676 4.134 3.068 1.00 0.00 C ATOM 430 CD2 PHE A 98 -0.248 1.901 3.788 1.00 0.00 C ATOM 431 CE1 PHE A 98 -2.021 3.839 2.944 1.00 0.00 C ATOM 432 CE2 PHE A 98 -1.591 1.600 3.666 1.00 0.00 C ATOM 433 CZ PHE A 98 -2.479 2.570 3.242 1.00 0.00 C ATOM 0 H PHE A 98 2.903 1.417 3.006 1.00 0.00 H new ATOM 0 HA PHE A 98 1.807 3.587 1.482 1.00 0.00 H new ATOM 0 HB2 PHE A 98 2.126 2.838 4.377 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.791 4.514 3.992 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.323 5.127 2.832 1.00 0.00 H new ATOM 0 HD2 PHE A 98 0.442 1.138 4.118 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -2.713 4.600 2.614 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -1.946 0.608 3.902 1.00 0.00 H new ATOM 0 HZ PHE A 98 -3.529 2.337 3.144 1.00 0.00 H new ATOM 443 N GLU A 99 4.801 3.848 2.740 1.00 0.00 N ATOM 444 CA GLU A 99 6.000 4.678 2.779 1.00 0.00 C ATOM 445 C GLU A 99 6.461 5.033 1.368 1.00 0.00 C ATOM 446 O GLU A 99 7.162 6.024 1.164 1.00 0.00 O ATOM 447 CB GLU A 99 7.122 3.957 3.528 1.00 0.00 C ATOM 448 CG GLU A 99 7.044 4.111 5.037 1.00 0.00 C ATOM 449 CD GLU A 99 8.152 3.369 5.758 1.00 0.00 C ATOM 450 OE1 GLU A 99 8.374 2.181 5.442 1.00 0.00 O ATOM 451 OE2 GLU A 99 8.797 3.976 6.638 1.00 0.00 O ATOM 0 H GLU A 99 4.938 2.893 3.072 1.00 0.00 H new ATOM 0 HA GLU A 99 5.756 5.600 3.306 1.00 0.00 H new ATOM 0 HB2 GLU A 99 7.091 2.897 3.278 1.00 0.00 H new ATOM 0 HB3 GLU A 99 8.082 4.339 3.182 1.00 0.00 H new ATOM 0 HG2 GLU A 99 7.094 5.169 5.293 1.00 0.00 H new ATOM 0 HG3 GLU A 99 6.079 3.744 5.386 1.00 0.00 H new ATOM 458 N GLU A 100 6.062 4.216 0.398 1.00 0.00 N ATOM 459 CA GLU A 100 6.436 4.443 -0.993 1.00 0.00 C ATOM 460 C GLU A 100 5.868 5.765 -1.500 1.00 0.00 C ATOM 461 O GLU A 100 6.345 6.320 -2.490 1.00 0.00 O ATOM 462 CB GLU A 100 5.941 3.292 -1.872 1.00 0.00 C ATOM 463 CG GLU A 100 6.792 2.038 -1.768 1.00 0.00 C ATOM 464 CD GLU A 100 8.060 2.123 -2.595 1.00 0.00 C ATOM 465 OE1 GLU A 100 7.963 2.447 -3.798 1.00 0.00 O ATOM 466 OE2 GLU A 100 9.149 1.867 -2.040 1.00 0.00 O ATOM 0 H GLU A 100 5.480 3.392 0.550 1.00 0.00 H new ATOM 0 HA GLU A 100 7.524 4.490 -1.047 1.00 0.00 H new ATOM 0 HB2 GLU A 100 4.915 3.049 -1.594 1.00 0.00 H new ATOM 0 HB3 GLU A 100 5.920 3.622 -2.911 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.054 1.867 -0.724 1.00 0.00 H new ATOM 0 HG3 GLU A 100 6.207 1.178 -2.094 1.00 0.00 H new ATOM 473 N TYR A 101 4.845 6.265 -0.815 1.00 0.00 N ATOM 474 CA TYR A 101 4.209 7.520 -1.197 1.00 0.00 C ATOM 475 C TYR A 101 4.770 8.684 -0.385 1.00 0.00 C ATOM 476 O TYR A 101 5.136 9.721 -0.936 1.00 0.00 O ATOM 477 CB TYR A 101 2.695 7.429 -1.000 1.00 0.00 C ATOM 478 CG TYR A 101 2.037 6.367 -1.851 1.00 0.00 C ATOM 479 CD1 TYR A 101 2.132 5.022 -1.515 1.00 0.00 C ATOM 480 CD2 TYR A 101 1.318 6.708 -2.990 1.00 0.00 C ATOM 481 CE1 TYR A 101 1.533 4.048 -2.290 1.00 0.00 C ATOM 482 CE2 TYR A 101 0.714 5.741 -3.770 1.00 0.00 C ATOM 483 CZ TYR A 101 0.825 4.412 -3.416 1.00 0.00 C ATOM 484 OH TYR A 101 0.225 3.445 -4.190 1.00 0.00 O ATOM 0 H TYR A 101 4.439 5.820 0.008 1.00 0.00 H new ATOM 0 HA TYR A 101 4.421 7.700 -2.251 1.00 0.00 H new ATOM 0 HB2 TYR A 101 2.485 7.223 0.050 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.248 8.396 -1.231 1.00 0.00 H new ATOM 0 HD1 TYR A 101 2.684 4.733 -0.633 1.00 0.00 H new ATOM 0 HD2 TYR A 101 1.230 7.747 -3.270 1.00 0.00 H new ATOM 0 HE1 TYR A 101 1.619 3.007 -2.016 1.00 0.00 H new ATOM 0 HE2 TYR A 101 0.158 6.024 -4.652 1.00 0.00 H new ATOM 0 HH TYR A 101 -0.234 3.869 -4.945 1.00 0.00 H new ATOM 494 N GLY A 102 4.834 8.502 0.931 1.00 0.00 N ATOM 495 CA GLY A 102 5.351 9.544 1.799 1.00 0.00 C ATOM 496 C GLY A 102 5.959 8.989 3.072 1.00 0.00 C ATOM 497 O GLY A 102 5.836 7.803 3.378 1.00 0.00 O ATOM 0 H GLY A 102 4.537 7.652 1.411 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.104 10.120 1.261 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.546 10.232 2.055 1.00 0.00 H new ATOM 501 N PRO A 103 6.635 9.859 3.838 1.00 0.00 N ATOM 502 CA PRO A 103 7.278 9.471 5.096 1.00 0.00 C ATOM 503 C PRO A 103 6.266 9.145 6.189 1.00 0.00 C ATOM 504 O PRO A 103 5.942 9.992 7.022 1.00 0.00 O ATOM 505 CB PRO A 103 8.093 10.711 5.475 1.00 0.00 C ATOM 506 CG PRO A 103 7.389 11.844 4.811 1.00 0.00 C ATOM 507 CD PRO A 103 6.821 11.288 3.534 1.00 0.00 C ATOM 0 HA PRO A 103 7.877 8.567 4.985 1.00 0.00 H new ATOM 0 HB2 PRO A 103 8.129 10.846 6.556 1.00 0.00 H new ATOM 0 HB3 PRO A 103 9.124 10.628 5.130 1.00 0.00 H new ATOM 0 HG2 PRO A 103 6.599 12.240 5.449 1.00 0.00 H new ATOM 0 HG3 PRO A 103 8.076 12.665 4.607 1.00 0.00 H new ATOM 0 HD2 PRO A 103 5.879 11.769 3.270 1.00 0.00 H new ATOM 0 HD3 PRO A 103 7.500 11.435 2.694 1.00 0.00 H new ATOM 515 N VAL A 104 5.770 7.912 6.181 1.00 0.00 N ATOM 516 CA VAL A 104 4.795 7.473 7.173 1.00 0.00 C ATOM 517 C VAL A 104 5.272 7.784 8.587 1.00 0.00 C ATOM 518 O VAL A 104 6.473 7.797 8.859 1.00 0.00 O ATOM 519 CB VAL A 104 4.518 5.963 7.057 1.00 0.00 C ATOM 520 CG1 VAL A 104 3.552 5.512 8.142 1.00 0.00 C ATOM 521 CG2 VAL A 104 3.976 5.625 5.676 1.00 0.00 C ATOM 0 H VAL A 104 6.027 7.199 5.498 1.00 0.00 H new ATOM 0 HA VAL A 104 3.873 8.020 6.975 1.00 0.00 H new ATOM 0 HB VAL A 104 5.458 5.428 7.195 1.00 0.00 H new ATOM 0 HG11 VAL A 104 3.368 4.442 8.044 1.00 0.00 H new ATOM 0 HG12 VAL A 104 3.983 5.718 9.122 1.00 0.00 H new ATOM 0 HG13 VAL A 104 2.611 6.053 8.039 1.00 0.00 H new ATOM 0 HG21 VAL A 104 3.786 4.554 5.612 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.047 6.169 5.507 1.00 0.00 H new ATOM 0 HG23 VAL A 104 4.706 5.910 4.919 1.00 0.00 H new ATOM 531 N ILE A 105 4.324 8.034 9.484 1.00 0.00 N ATOM 532 CA ILE A 105 4.648 8.343 10.871 1.00 0.00 C ATOM 533 C ILE A 105 4.462 7.121 11.764 1.00 0.00 C ATOM 534 O ILE A 105 5.409 6.652 12.395 1.00 0.00 O ATOM 535 CB ILE A 105 3.778 9.495 11.408 1.00 0.00 C ATOM 536 CG1 ILE A 105 3.914 10.727 10.512 1.00 0.00 C ATOM 537 CG2 ILE A 105 4.167 9.829 12.840 1.00 0.00 C ATOM 538 CD1 ILE A 105 3.472 12.011 11.178 1.00 0.00 C ATOM 0 H ILE A 105 3.326 8.029 9.275 1.00 0.00 H new ATOM 0 HA ILE A 105 5.694 8.648 10.891 1.00 0.00 H new ATOM 0 HB ILE A 105 2.735 9.177 11.400 1.00 0.00 H new ATOM 0 HG12 ILE A 105 4.954 10.828 10.202 1.00 0.00 H new ATOM 0 HG13 ILE A 105 3.325 10.575 9.607 1.00 0.00 H new ATOM 0 HG21 ILE A 105 3.543 10.645 13.206 1.00 0.00 H new ATOM 0 HG22 ILE A 105 4.023 8.952 13.470 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.214 10.130 12.872 1.00 0.00 H new ATOM 0 HD11 ILE A 105 3.596 12.842 10.484 1.00 0.00 H new ATOM 0 HD12 ILE A 105 2.423 11.930 11.463 1.00 0.00 H new ATOM 0 HD13 ILE A 105 4.078 12.187 12.067 1.00 0.00 H new ATOM 550 N GLU A 106 3.236 6.609 11.811 1.00 0.00 N ATOM 551 CA GLU A 106 2.928 5.441 12.626 1.00 0.00 C ATOM 552 C GLU A 106 1.816 4.611 11.990 1.00 0.00 C ATOM 553 O GLU A 106 0.740 5.127 11.683 1.00 0.00 O ATOM 554 CB GLU A 106 2.516 5.870 14.036 1.00 0.00 C ATOM 555 CG GLU A 106 1.852 7.235 14.087 1.00 0.00 C ATOM 556 CD GLU A 106 1.760 7.787 15.497 1.00 0.00 C ATOM 557 OE1 GLU A 106 1.675 6.980 16.446 1.00 0.00 O ATOM 558 OE2 GLU A 106 1.775 9.027 15.650 1.00 0.00 O ATOM 0 H GLU A 106 2.441 6.985 11.294 1.00 0.00 H new ATOM 0 HA GLU A 106 3.826 4.826 12.688 1.00 0.00 H new ATOM 0 HB2 GLU A 106 1.833 5.127 14.447 1.00 0.00 H new ATOM 0 HB3 GLU A 106 3.398 5.880 14.676 1.00 0.00 H new ATOM 0 HG2 GLU A 106 2.413 7.931 13.464 1.00 0.00 H new ATOM 0 HG3 GLU A 106 0.851 7.164 13.663 1.00 0.00 H new ATOM 565 N CYS A 107 2.084 3.325 11.794 1.00 0.00 N ATOM 566 CA CYS A 107 1.108 2.423 11.193 1.00 0.00 C ATOM 567 C CYS A 107 0.682 1.345 12.184 1.00 0.00 C ATOM 568 O CYS A 107 1.511 0.780 12.897 1.00 0.00 O ATOM 569 CB CYS A 107 1.688 1.777 9.934 1.00 0.00 C ATOM 570 SG CYS A 107 0.696 0.413 9.281 1.00 0.00 S ATOM 0 H CYS A 107 2.969 2.883 12.043 1.00 0.00 H new ATOM 0 HA CYS A 107 0.229 3.007 10.920 1.00 0.00 H new ATOM 0 HB2 CYS A 107 1.791 2.539 9.162 1.00 0.00 H new ATOM 0 HB3 CYS A 107 2.690 1.410 10.155 1.00 0.00 H new ATOM 0 HG CYS A 107 1.144 0.072 8.109 1.00 0.00 H new ATOM 576 N ASP A 108 -0.616 1.065 12.223 1.00 0.00 N ATOM 577 CA ASP A 108 -1.153 0.054 13.127 1.00 0.00 C ATOM 578 C ASP A 108 -2.135 -0.859 12.399 1.00 0.00 C ATOM 579 O ASP A 108 -3.028 -0.389 11.694 1.00 0.00 O ATOM 580 CB ASP A 108 -1.844 0.720 14.318 1.00 0.00 C ATOM 581 CG ASP A 108 -0.895 0.961 15.476 1.00 0.00 C ATOM 582 OD1 ASP A 108 -0.181 0.014 15.866 1.00 0.00 O ATOM 583 OD2 ASP A 108 -0.866 2.098 15.992 1.00 0.00 O ATOM 0 H ASP A 108 -1.316 1.524 11.639 1.00 0.00 H new ATOM 0 HA ASP A 108 -0.323 -0.551 13.490 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -2.274 1.670 14.000 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -2.670 0.092 14.653 1.00 0.00 H new ATOM 588 N ILE A 109 -1.963 -2.164 12.575 1.00 0.00 N ATOM 589 CA ILE A 109 -2.834 -3.142 11.935 1.00 0.00 C ATOM 590 C ILE A 109 -3.946 -3.588 12.878 1.00 0.00 C ATOM 591 O ILE A 109 -3.781 -3.580 14.098 1.00 0.00 O ATOM 592 CB ILE A 109 -2.044 -4.380 11.469 1.00 0.00 C ATOM 593 CG1 ILE A 109 -1.144 -4.022 10.285 1.00 0.00 C ATOM 594 CG2 ILE A 109 -2.996 -5.507 11.097 1.00 0.00 C ATOM 595 CD1 ILE A 109 -0.015 -5.004 10.065 1.00 0.00 C ATOM 0 H ILE A 109 -1.229 -2.569 13.155 1.00 0.00 H new ATOM 0 HA ILE A 109 -3.273 -2.653 11.065 1.00 0.00 H new ATOM 0 HB ILE A 109 -1.413 -4.720 12.290 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -1.751 -3.970 9.381 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -0.725 -3.029 10.445 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -2.423 -6.374 10.770 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.598 -5.776 11.965 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -3.650 -5.179 10.289 1.00 0.00 H new ATOM 0 HD11 ILE A 109 0.582 -4.687 9.210 1.00 0.00 H new ATOM 0 HD12 ILE A 109 0.615 -5.039 10.954 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -0.427 -5.995 9.873 1.00 0.00 H new ATOM 607 N VAL A 110 -5.079 -3.980 12.305 1.00 0.00 N ATOM 608 CA VAL A 110 -6.219 -4.433 13.093 1.00 0.00 C ATOM 609 C VAL A 110 -6.795 -5.728 12.533 1.00 0.00 C ATOM 610 O VAL A 110 -6.397 -6.186 11.462 1.00 0.00 O ATOM 611 CB VAL A 110 -7.330 -3.367 13.138 1.00 0.00 C ATOM 612 CG1 VAL A 110 -8.285 -3.638 14.290 1.00 0.00 C ATOM 613 CG2 VAL A 110 -6.727 -1.974 13.250 1.00 0.00 C ATOM 0 H VAL A 110 -5.232 -3.993 11.297 1.00 0.00 H new ATOM 0 HA VAL A 110 -5.854 -4.609 14.105 1.00 0.00 H new ATOM 0 HB VAL A 110 -7.897 -3.419 12.209 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -9.063 -2.874 14.305 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -8.742 -4.619 14.161 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -7.736 -3.615 15.231 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -7.526 -1.233 13.281 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -6.134 -1.906 14.162 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -6.088 -1.784 12.387 1.00 0.00 H new ATOM 623 N LYS A 111 -7.735 -6.316 13.265 1.00 0.00 N ATOM 624 CA LYS A 111 -8.369 -7.559 12.842 1.00 0.00 C ATOM 625 C LYS A 111 -8.558 -7.586 11.329 1.00 0.00 C ATOM 626 O LYS A 111 -7.830 -8.276 10.615 1.00 0.00 O ATOM 627 CB LYS A 111 -9.721 -7.729 13.538 1.00 0.00 C ATOM 628 CG LYS A 111 -9.630 -7.714 15.055 1.00 0.00 C ATOM 629 CD LYS A 111 -9.460 -9.115 15.617 1.00 0.00 C ATOM 630 CE LYS A 111 -7.992 -9.465 15.806 1.00 0.00 C ATOM 631 NZ LYS A 111 -7.790 -10.928 15.995 1.00 0.00 N ATOM 0 H LYS A 111 -8.075 -5.951 14.155 1.00 0.00 H new ATOM 0 HA LYS A 111 -7.716 -8.385 13.124 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -10.390 -6.931 13.214 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -10.169 -8.670 13.218 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -8.789 -7.093 15.364 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -10.531 -7.261 15.470 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -9.979 -9.190 16.572 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -9.924 -9.837 14.945 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -7.424 -9.129 14.938 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -7.600 -8.930 16.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -6.777 -11.125 16.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -8.311 -11.244 16.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -8.141 -11.438 15.159 1.00 0.00 H new ATOM 645 N ASP A 112 -9.538 -6.830 10.846 1.00 0.00 N ATOM 646 CA ASP A 112 -9.820 -6.766 9.417 1.00 0.00 C ATOM 647 C ASP A 112 -9.625 -5.348 8.888 1.00 0.00 C ATOM 648 O ASP A 112 -9.956 -5.052 7.740 1.00 0.00 O ATOM 649 CB ASP A 112 -11.248 -7.236 9.136 1.00 0.00 C ATOM 650 CG ASP A 112 -11.403 -8.737 9.280 1.00 0.00 C ATOM 651 OD1 ASP A 112 -10.883 -9.472 8.416 1.00 0.00 O ATOM 652 OD2 ASP A 112 -12.045 -9.176 10.258 1.00 0.00 O ATOM 0 H ASP A 112 -10.150 -6.253 11.423 1.00 0.00 H new ATOM 0 HA ASP A 112 -9.121 -7.426 8.904 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -11.933 -6.736 9.820 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -11.533 -6.940 8.126 1.00 0.00 H new ATOM 657 N TYR A 113 -9.085 -4.476 9.732 1.00 0.00 N ATOM 658 CA TYR A 113 -8.849 -3.089 9.351 1.00 0.00 C ATOM 659 C TYR A 113 -7.455 -2.637 9.776 1.00 0.00 C ATOM 660 O TYR A 113 -6.697 -3.403 10.371 1.00 0.00 O ATOM 661 CB TYR A 113 -9.906 -2.179 9.979 1.00 0.00 C ATOM 662 CG TYR A 113 -10.440 -2.690 11.298 1.00 0.00 C ATOM 663 CD1 TYR A 113 -11.100 -3.911 11.375 1.00 0.00 C ATOM 664 CD2 TYR A 113 -10.286 -1.954 12.465 1.00 0.00 C ATOM 665 CE1 TYR A 113 -11.590 -4.382 12.578 1.00 0.00 C ATOM 666 CE2 TYR A 113 -10.772 -2.418 13.672 1.00 0.00 C ATOM 667 CZ TYR A 113 -11.423 -3.632 13.723 1.00 0.00 C ATOM 668 OH TYR A 113 -11.910 -4.098 14.924 1.00 0.00 O ATOM 0 H TYR A 113 -8.802 -4.705 10.685 1.00 0.00 H new ATOM 0 HA TYR A 113 -8.918 -3.020 8.265 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -9.477 -1.188 10.130 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -10.735 -2.064 9.281 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -11.232 -4.501 10.480 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -9.777 -1.002 12.429 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -12.101 -5.332 12.621 1.00 0.00 H new ATOM 0 HE2 TYR A 113 -10.643 -1.833 14.571 1.00 0.00 H new ATOM 0 HH TYR A 113 -11.709 -3.451 15.632 1.00 0.00 H new ATOM 678 N ALA A 114 -7.125 -1.387 9.467 1.00 0.00 N ATOM 679 CA ALA A 114 -5.825 -0.831 9.819 1.00 0.00 C ATOM 680 C ALA A 114 -5.859 0.693 9.810 1.00 0.00 C ATOM 681 O ALA A 114 -6.867 1.299 9.446 1.00 0.00 O ATOM 682 CB ALA A 114 -4.756 -1.343 8.864 1.00 0.00 C ATOM 0 H ALA A 114 -7.741 -0.741 8.973 1.00 0.00 H new ATOM 0 HA ALA A 114 -5.580 -1.157 10.830 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -3.790 -0.920 9.139 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.706 -2.430 8.923 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -5.006 -1.046 7.845 1.00 0.00 H new ATOM 688 N PHE A 115 -4.752 1.308 10.213 1.00 0.00 N ATOM 689 CA PHE A 115 -4.656 2.762 10.253 1.00 0.00 C ATOM 690 C PHE A 115 -3.219 3.219 10.015 1.00 0.00 C ATOM 691 O PHE A 115 -2.327 2.942 10.817 1.00 0.00 O ATOM 692 CB PHE A 115 -5.155 3.291 11.599 1.00 0.00 C ATOM 693 CG PHE A 115 -6.580 2.920 11.897 1.00 0.00 C ATOM 694 CD1 PHE A 115 -6.894 1.666 12.395 1.00 0.00 C ATOM 695 CD2 PHE A 115 -7.605 3.826 11.680 1.00 0.00 C ATOM 696 CE1 PHE A 115 -8.204 1.322 12.670 1.00 0.00 C ATOM 697 CE2 PHE A 115 -8.918 3.488 11.953 1.00 0.00 C ATOM 698 CZ PHE A 115 -9.217 2.235 12.449 1.00 0.00 C ATOM 0 H PHE A 115 -3.909 0.821 10.517 1.00 0.00 H new ATOM 0 HA PHE A 115 -5.283 3.164 9.458 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -4.514 2.906 12.392 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -5.060 4.377 11.612 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -6.106 0.949 12.570 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -7.376 4.808 11.293 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -8.435 0.341 13.057 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -9.708 4.203 11.778 1.00 0.00 H new ATOM 0 HZ PHE A 115 -10.241 1.969 12.664 1.00 0.00 H new ATOM 708 N VAL A 116 -3.003 3.921 8.907 1.00 0.00 N ATOM 709 CA VAL A 116 -1.676 4.418 8.563 1.00 0.00 C ATOM 710 C VAL A 116 -1.574 5.921 8.798 1.00 0.00 C ATOM 711 O VAL A 116 -2.163 6.716 8.065 1.00 0.00 O ATOM 712 CB VAL A 116 -1.327 4.114 7.095 1.00 0.00 C ATOM 713 CG1 VAL A 116 0.039 4.682 6.742 1.00 0.00 C ATOM 714 CG2 VAL A 116 -1.372 2.615 6.836 1.00 0.00 C ATOM 0 H VAL A 116 -3.730 4.158 8.232 1.00 0.00 H new ATOM 0 HA VAL A 116 -0.967 3.903 9.211 1.00 0.00 H new ATOM 0 HB VAL A 116 -2.070 4.593 6.457 1.00 0.00 H new ATOM 0 HG11 VAL A 116 0.268 4.457 5.700 1.00 0.00 H new ATOM 0 HG12 VAL A 116 0.032 5.762 6.887 1.00 0.00 H new ATOM 0 HG13 VAL A 116 0.797 4.234 7.385 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -1.123 2.418 5.793 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -0.652 2.112 7.482 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -2.373 2.239 7.047 1.00 0.00 H new ATOM 724 N HIS A 117 -0.822 6.304 9.825 1.00 0.00 N ATOM 725 CA HIS A 117 -0.641 7.713 10.156 1.00 0.00 C ATOM 726 C HIS A 117 0.403 8.355 9.248 1.00 0.00 C ATOM 727 O HIS A 117 1.594 8.061 9.351 1.00 0.00 O ATOM 728 CB HIS A 117 -0.225 7.866 11.619 1.00 0.00 C ATOM 729 CG HIS A 117 -0.687 9.147 12.243 1.00 0.00 C ATOM 730 ND1 HIS A 117 -1.340 9.201 13.456 1.00 0.00 N ATOM 731 CD2 HIS A 117 -0.585 10.427 11.815 1.00 0.00 C ATOM 732 CE1 HIS A 117 -1.621 10.458 13.746 1.00 0.00 C ATOM 733 NE2 HIS A 117 -1.173 11.223 12.767 1.00 0.00 N ATOM 0 H HIS A 117 -0.328 5.659 10.442 1.00 0.00 H new ATOM 0 HA HIS A 117 -1.593 8.222 10.002 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -0.624 7.028 12.191 1.00 0.00 H new ATOM 0 HB3 HIS A 117 0.861 7.810 11.687 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -0.126 10.760 10.896 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -2.131 10.802 14.634 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -1.251 12.239 12.725 1.00 0.00 H new ATOM 742 N MET A 118 -0.051 9.232 8.358 1.00 0.00 N ATOM 743 CA MET A 118 0.845 9.915 7.432 1.00 0.00 C ATOM 744 C MET A 118 1.303 11.252 8.006 1.00 0.00 C ATOM 745 O MET A 118 0.917 11.627 9.113 1.00 0.00 O ATOM 746 CB MET A 118 0.152 10.135 6.087 1.00 0.00 C ATOM 747 CG MET A 118 0.315 8.972 5.122 1.00 0.00 C ATOM 748 SD MET A 118 2.043 8.622 4.742 1.00 0.00 S ATOM 749 CE MET A 118 1.933 8.230 2.997 1.00 0.00 C ATOM 0 H MET A 118 -1.034 9.486 8.259 1.00 0.00 H new ATOM 0 HA MET A 118 1.721 9.285 7.282 1.00 0.00 H new ATOM 0 HB2 MET A 118 -0.910 10.308 6.259 1.00 0.00 H new ATOM 0 HB3 MET A 118 0.551 11.038 5.625 1.00 0.00 H new ATOM 0 HG2 MET A 118 -0.146 8.082 5.550 1.00 0.00 H new ATOM 0 HG3 MET A 118 -0.218 9.194 4.198 1.00 0.00 H new ATOM 0 HE1 MET A 118 2.884 7.821 2.655 1.00 0.00 H new ATOM 0 HE2 MET A 118 1.144 7.495 2.838 1.00 0.00 H new ATOM 0 HE3 MET A 118 1.704 9.135 2.434 1.00 0.00 H new ATOM 759 N GLU A 119 2.128 11.966 7.246 1.00 0.00 N ATOM 760 CA GLU A 119 2.639 13.260 7.681 1.00 0.00 C ATOM 761 C GLU A 119 1.975 14.395 6.906 1.00 0.00 C ATOM 762 O GLU A 119 1.319 15.259 7.489 1.00 0.00 O ATOM 763 CB GLU A 119 4.157 13.322 7.498 1.00 0.00 C ATOM 764 CG GLU A 119 4.812 14.477 8.237 1.00 0.00 C ATOM 765 CD GLU A 119 4.584 15.811 7.554 1.00 0.00 C ATOM 766 OE1 GLU A 119 3.515 16.417 7.775 1.00 0.00 O ATOM 767 OE2 GLU A 119 5.476 16.250 6.797 1.00 0.00 O ATOM 0 H GLU A 119 2.456 11.670 6.327 1.00 0.00 H new ATOM 0 HA GLU A 119 2.403 13.378 8.739 1.00 0.00 H new ATOM 0 HB2 GLU A 119 4.595 12.386 7.844 1.00 0.00 H new ATOM 0 HB3 GLU A 119 4.383 13.407 6.435 1.00 0.00 H new ATOM 0 HG2 GLU A 119 4.420 14.522 9.253 1.00 0.00 H new ATOM 0 HG3 GLU A 119 5.883 14.292 8.316 1.00 0.00 H new ATOM 774 N ARG A 120 2.152 14.387 5.589 1.00 0.00 N ATOM 775 CA ARG A 120 1.572 15.415 4.734 1.00 0.00 C ATOM 776 C ARG A 120 0.334 14.889 4.013 1.00 0.00 C ATOM 777 O ARG A 120 0.199 13.687 3.788 1.00 0.00 O ATOM 778 CB ARG A 120 2.603 15.900 3.712 1.00 0.00 C ATOM 779 CG ARG A 120 3.887 16.417 4.341 1.00 0.00 C ATOM 780 CD ARG A 120 4.970 16.636 3.296 1.00 0.00 C ATOM 781 NE ARG A 120 5.992 17.572 3.756 1.00 0.00 N ATOM 782 CZ ARG A 120 7.234 17.594 3.283 1.00 0.00 C ATOM 783 NH1 ARG A 120 7.604 16.737 2.343 1.00 0.00 N ATOM 784 NH2 ARG A 120 8.107 18.476 3.752 1.00 0.00 N ATOM 0 H ARG A 120 2.693 13.680 5.091 1.00 0.00 H new ATOM 0 HA ARG A 120 1.275 16.252 5.366 1.00 0.00 H new ATOM 0 HB2 ARG A 120 2.844 15.081 3.035 1.00 0.00 H new ATOM 0 HB3 ARG A 120 2.159 16.692 3.109 1.00 0.00 H new ATOM 0 HG2 ARG A 120 3.687 17.354 4.861 1.00 0.00 H new ATOM 0 HG3 ARG A 120 4.239 15.706 5.088 1.00 0.00 H new ATOM 0 HD2 ARG A 120 5.436 15.682 3.051 1.00 0.00 H new ATOM 0 HD3 ARG A 120 4.518 17.014 2.379 1.00 0.00 H new ATOM 0 HE ARG A 120 5.739 18.245 4.479 1.00 0.00 H new ATOM 0 HH11 ARG A 120 6.935 16.058 1.980 1.00 0.00 H new ATOM 0 HH12 ARG A 120 8.558 16.756 1.982 1.00 0.00 H new ATOM 0 HH21 ARG A 120 7.825 19.137 4.476 1.00 0.00 H new ATOM 0 HH22 ARG A 120 9.060 18.493 3.389 1.00 0.00 H new ATOM 798 N ALA A 121 -0.566 15.799 3.655 1.00 0.00 N ATOM 799 CA ALA A 121 -1.792 15.427 2.959 1.00 0.00 C ATOM 800 C ALA A 121 -1.496 14.964 1.536 1.00 0.00 C ATOM 801 O ALA A 121 -1.919 13.884 1.126 1.00 0.00 O ATOM 802 CB ALA A 121 -2.765 16.596 2.943 1.00 0.00 C ATOM 0 H ALA A 121 -0.469 16.798 3.835 1.00 0.00 H new ATOM 0 HA ALA A 121 -2.248 14.596 3.497 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -3.676 16.304 2.420 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -3.009 16.880 3.967 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -2.308 17.443 2.431 1.00 0.00 H new ATOM 808 N GLU A 122 -0.768 15.788 0.789 1.00 0.00 N ATOM 809 CA GLU A 122 -0.418 15.462 -0.588 1.00 0.00 C ATOM 810 C GLU A 122 0.079 14.024 -0.697 1.00 0.00 C ATOM 811 O GLU A 122 -0.099 13.370 -1.725 1.00 0.00 O ATOM 812 CB GLU A 122 0.652 16.425 -1.107 1.00 0.00 C ATOM 813 CG GLU A 122 0.192 17.872 -1.167 1.00 0.00 C ATOM 814 CD GLU A 122 0.870 18.654 -2.275 1.00 0.00 C ATOM 815 OE1 GLU A 122 2.089 18.471 -2.472 1.00 0.00 O ATOM 816 OE2 GLU A 122 0.179 19.450 -2.946 1.00 0.00 O ATOM 0 H GLU A 122 -0.409 16.686 1.114 1.00 0.00 H new ATOM 0 HA GLU A 122 -1.315 15.565 -1.198 1.00 0.00 H new ATOM 0 HB2 GLU A 122 1.531 16.358 -0.465 1.00 0.00 H new ATOM 0 HB3 GLU A 122 0.960 16.109 -2.104 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -0.887 17.900 -1.315 1.00 0.00 H new ATOM 0 HG3 GLU A 122 0.395 18.354 -0.211 1.00 0.00 H new ATOM 823 N ASP A 123 0.705 13.538 0.370 1.00 0.00 N ATOM 824 CA ASP A 123 1.228 12.178 0.395 1.00 0.00 C ATOM 825 C ASP A 123 0.147 11.187 0.816 1.00 0.00 C ATOM 826 O ASP A 123 0.036 10.098 0.253 1.00 0.00 O ATOM 827 CB ASP A 123 2.421 12.085 1.349 1.00 0.00 C ATOM 828 CG ASP A 123 3.658 12.766 0.796 1.00 0.00 C ATOM 829 OD1 ASP A 123 3.512 13.624 -0.099 1.00 0.00 O ATOM 830 OD2 ASP A 123 4.771 12.440 1.258 1.00 0.00 O ATOM 0 H ASP A 123 0.862 14.066 1.228 1.00 0.00 H new ATOM 0 HA ASP A 123 1.557 11.923 -0.613 1.00 0.00 H new ATOM 0 HB2 ASP A 123 2.156 12.539 2.304 1.00 0.00 H new ATOM 0 HB3 ASP A 123 2.644 11.036 1.546 1.00 0.00 H new ATOM 835 N ALA A 124 -0.647 11.572 1.810 1.00 0.00 N ATOM 836 CA ALA A 124 -1.719 10.718 2.305 1.00 0.00 C ATOM 837 C ALA A 124 -2.755 10.452 1.218 1.00 0.00 C ATOM 838 O ALA A 124 -3.044 9.301 0.891 1.00 0.00 O ATOM 839 CB ALA A 124 -2.379 11.352 3.521 1.00 0.00 C ATOM 0 H ALA A 124 -0.568 12.470 2.288 1.00 0.00 H new ATOM 0 HA ALA A 124 -1.284 9.762 2.597 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.178 10.704 3.881 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -1.638 11.486 4.309 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -2.795 12.321 3.245 1.00 0.00 H new ATOM 845 N VAL A 125 -3.312 11.523 0.662 1.00 0.00 N ATOM 846 CA VAL A 125 -4.316 11.405 -0.389 1.00 0.00 C ATOM 847 C VAL A 125 -3.856 10.448 -1.483 1.00 0.00 C ATOM 848 O VAL A 125 -4.613 9.586 -1.925 1.00 0.00 O ATOM 849 CB VAL A 125 -4.633 12.774 -1.019 1.00 0.00 C ATOM 850 CG1 VAL A 125 -5.546 12.608 -2.224 1.00 0.00 C ATOM 851 CG2 VAL A 125 -5.260 13.701 0.011 1.00 0.00 C ATOM 0 H VAL A 125 -3.085 12.483 0.922 1.00 0.00 H new ATOM 0 HA VAL A 125 -5.219 11.011 0.078 1.00 0.00 H new ATOM 0 HB VAL A 125 -3.700 13.223 -1.359 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -5.759 13.586 -2.656 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -5.055 11.981 -2.969 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -6.479 12.138 -1.912 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -5.478 14.664 -0.451 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -6.185 13.260 0.383 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -4.568 13.845 0.840 1.00 0.00 H new ATOM 861 N GLU A 126 -2.609 10.608 -1.915 1.00 0.00 N ATOM 862 CA GLU A 126 -2.047 9.758 -2.959 1.00 0.00 C ATOM 863 C GLU A 126 -2.043 8.295 -2.525 1.00 0.00 C ATOM 864 O GLU A 126 -2.547 7.425 -3.233 1.00 0.00 O ATOM 865 CB GLU A 126 -0.625 10.205 -3.301 1.00 0.00 C ATOM 866 CG GLU A 126 -0.569 11.340 -4.309 1.00 0.00 C ATOM 867 CD GLU A 126 -0.934 10.894 -5.711 1.00 0.00 C ATOM 868 OE1 GLU A 126 -1.625 9.862 -5.844 1.00 0.00 O ATOM 869 OE2 GLU A 126 -0.530 11.576 -6.676 1.00 0.00 O ATOM 0 H GLU A 126 -1.969 11.318 -1.559 1.00 0.00 H new ATOM 0 HA GLU A 126 -2.673 9.854 -3.847 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -0.122 10.518 -2.386 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -0.070 9.353 -3.695 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -1.248 12.133 -3.996 1.00 0.00 H new ATOM 0 HG3 GLU A 126 0.435 11.765 -4.317 1.00 0.00 H new ATOM 876 N ALA A 127 -1.468 8.033 -1.355 1.00 0.00 N ATOM 877 CA ALA A 127 -1.398 6.677 -0.826 1.00 0.00 C ATOM 878 C ALA A 127 -2.753 5.982 -0.914 1.00 0.00 C ATOM 879 O ALA A 127 -2.826 4.762 -1.066 1.00 0.00 O ATOM 880 CB ALA A 127 -0.907 6.697 0.614 1.00 0.00 C ATOM 0 H ALA A 127 -1.044 8.742 -0.756 1.00 0.00 H new ATOM 0 HA ALA A 127 -0.689 6.113 -1.433 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -0.860 5.677 0.996 1.00 0.00 H new ATOM 0 HB2 ALA A 127 0.085 7.146 0.654 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -1.595 7.282 1.225 1.00 0.00 H new ATOM 886 N ILE A 128 -3.822 6.766 -0.819 1.00 0.00 N ATOM 887 CA ILE A 128 -5.173 6.225 -0.889 1.00 0.00 C ATOM 888 C ILE A 128 -5.593 5.979 -2.334 1.00 0.00 C ATOM 889 O ILE A 128 -5.839 4.841 -2.734 1.00 0.00 O ATOM 890 CB ILE A 128 -6.193 7.169 -0.224 1.00 0.00 C ATOM 891 CG1 ILE A 128 -5.891 7.311 1.269 1.00 0.00 C ATOM 892 CG2 ILE A 128 -7.608 6.654 -0.437 1.00 0.00 C ATOM 893 CD1 ILE A 128 -6.618 8.463 1.926 1.00 0.00 C ATOM 0 H ILE A 128 -3.778 7.777 -0.693 1.00 0.00 H new ATOM 0 HA ILE A 128 -5.161 5.278 -0.350 1.00 0.00 H new ATOM 0 HB ILE A 128 -6.112 8.152 -0.687 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -6.162 6.385 1.776 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -4.818 7.446 1.403 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -8.317 7.331 0.039 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -7.818 6.600 -1.505 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -7.704 5.661 0.003 1.00 0.00 H new ATOM 0 HD11 ILE A 128 -6.356 8.503 2.983 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -6.329 9.397 1.445 1.00 0.00 H new ATOM 0 HD13 ILE A 128 -7.694 8.320 1.824 1.00 0.00 H new ATOM 905 N ARG A 129 -5.670 7.053 -3.113 1.00 0.00 N ATOM 906 CA ARG A 129 -6.058 6.953 -4.515 1.00 0.00 C ATOM 907 C ARG A 129 -5.291 5.835 -5.214 1.00 0.00 C ATOM 908 O ARG A 129 -5.712 5.338 -6.258 1.00 0.00 O ATOM 909 CB ARG A 129 -5.809 8.282 -5.231 1.00 0.00 C ATOM 910 CG ARG A 129 -6.770 8.546 -6.378 1.00 0.00 C ATOM 911 CD ARG A 129 -6.535 9.914 -6.999 1.00 0.00 C ATOM 912 NE ARG A 129 -7.209 10.054 -8.287 1.00 0.00 N ATOM 913 CZ ARG A 129 -8.484 10.407 -8.414 1.00 0.00 C ATOM 914 NH1 ARG A 129 -9.217 10.655 -7.338 1.00 0.00 N ATOM 915 NH2 ARG A 129 -9.026 10.513 -9.620 1.00 0.00 N ATOM 0 H ARG A 129 -5.469 8.002 -2.797 1.00 0.00 H new ATOM 0 HA ARG A 129 -7.122 6.720 -4.555 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -5.887 9.094 -4.508 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -4.788 8.293 -5.614 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -6.651 7.775 -7.139 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -7.796 8.481 -6.016 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -6.891 10.687 -6.318 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -5.465 10.073 -7.131 1.00 0.00 H new ATOM 0 HE ARG A 129 -6.672 9.871 -9.135 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -8.803 10.575 -6.409 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -10.195 10.926 -7.439 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -8.464 10.324 -10.450 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -10.005 10.784 -9.717 1.00 0.00 H new ATOM 929 N GLY A 130 -4.162 5.444 -4.631 1.00 0.00 N ATOM 930 CA GLY A 130 -3.353 4.388 -5.212 1.00 0.00 C ATOM 931 C GLY A 130 -3.593 3.045 -4.552 1.00 0.00 C ATOM 932 O GLY A 130 -3.902 2.061 -5.225 1.00 0.00 O ATOM 0 H GLY A 130 -3.793 5.840 -3.766 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -3.572 4.311 -6.277 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -2.299 4.651 -5.122 1.00 0.00 H new ATOM 936 N LEU A 131 -3.451 3.002 -3.232 1.00 0.00 N ATOM 937 CA LEU A 131 -3.653 1.768 -2.481 1.00 0.00 C ATOM 938 C LEU A 131 -5.139 1.483 -2.291 1.00 0.00 C ATOM 939 O LEU A 131 -5.517 0.482 -1.682 1.00 0.00 O ATOM 940 CB LEU A 131 -2.961 1.858 -1.119 1.00 0.00 C ATOM 941 CG LEU A 131 -1.473 2.206 -1.143 1.00 0.00 C ATOM 942 CD1 LEU A 131 -0.893 2.172 0.262 1.00 0.00 C ATOM 943 CD2 LEU A 131 -0.717 1.251 -2.056 1.00 0.00 C ATOM 0 H LEU A 131 -3.197 3.807 -2.660 1.00 0.00 H new ATOM 0 HA LEU A 131 -3.215 0.949 -3.051 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -3.479 2.607 -0.520 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -3.082 0.902 -0.609 1.00 0.00 H new ATOM 0 HG LEU A 131 -1.363 3.217 -1.535 1.00 0.00 H new ATOM 0 HD11 LEU A 131 0.167 2.422 0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -1.415 2.896 0.889 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -1.015 1.174 0.682 1.00 0.00 H new ATOM 0 HD21 LEU A 131 0.341 1.513 -2.061 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -0.836 0.230 -1.693 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -1.114 1.325 -3.068 1.00 0.00 H new ATOM 955 N ASP A 132 -5.978 2.368 -2.819 1.00 0.00 N ATOM 956 CA ASP A 132 -7.423 2.210 -2.711 1.00 0.00 C ATOM 957 C ASP A 132 -7.905 1.032 -3.553 1.00 0.00 C ATOM 958 O ASP A 132 -7.780 1.038 -4.776 1.00 0.00 O ATOM 959 CB ASP A 132 -8.132 3.491 -3.152 1.00 0.00 C ATOM 960 CG ASP A 132 -9.514 3.224 -3.716 1.00 0.00 C ATOM 961 OD1 ASP A 132 -10.263 2.437 -3.102 1.00 0.00 O ATOM 962 OD2 ASP A 132 -9.845 3.802 -4.773 1.00 0.00 O ATOM 0 H ASP A 132 -5.682 3.202 -3.326 1.00 0.00 H new ATOM 0 HA ASP A 132 -7.665 2.011 -1.667 1.00 0.00 H new ATOM 0 HB2 ASP A 132 -8.214 4.168 -2.302 1.00 0.00 H new ATOM 0 HB3 ASP A 132 -7.527 3.997 -3.905 1.00 0.00 H new ATOM 967 N ASN A 133 -8.457 0.022 -2.887 1.00 0.00 N ATOM 968 CA ASN A 133 -8.956 -1.164 -3.573 1.00 0.00 C ATOM 969 C ASN A 133 -7.823 -1.901 -4.279 1.00 0.00 C ATOM 970 O ASN A 133 -7.914 -2.214 -5.467 1.00 0.00 O ATOM 971 CB ASN A 133 -10.035 -0.775 -4.586 1.00 0.00 C ATOM 972 CG ASN A 133 -11.262 -0.178 -3.924 1.00 0.00 C ATOM 973 OD1 ASN A 133 -11.678 -0.618 -2.852 1.00 0.00 O ATOM 974 ND2 ASN A 133 -11.847 0.829 -4.561 1.00 0.00 N ATOM 0 H ASN A 133 -8.570 0.002 -1.873 1.00 0.00 H new ATOM 0 HA ASN A 133 -9.389 -1.830 -2.827 1.00 0.00 H new ATOM 0 HB2 ASN A 133 -9.622 -0.057 -5.294 1.00 0.00 H new ATOM 0 HB3 ASN A 133 -10.327 -1.656 -5.158 1.00 0.00 H new ATOM 0 HD21 ASN A 133 -12.676 1.271 -4.164 1.00 0.00 H new ATOM 0 HD22 ASN A 133 -11.467 1.161 -5.448 1.00 0.00 H new ATOM 981 N THR A 134 -6.753 -2.178 -3.540 1.00 0.00 N ATOM 982 CA THR A 134 -5.601 -2.878 -4.093 1.00 0.00 C ATOM 983 C THR A 134 -5.471 -4.277 -3.502 1.00 0.00 C ATOM 984 O THR A 134 -5.422 -4.443 -2.283 1.00 0.00 O ATOM 985 CB THR A 134 -4.295 -2.102 -3.838 1.00 0.00 C ATOM 986 OG1 THR A 134 -4.188 -1.768 -2.450 1.00 0.00 O ATOM 987 CG2 THR A 134 -4.248 -0.833 -4.676 1.00 0.00 C ATOM 0 H THR A 134 -6.661 -1.928 -2.556 1.00 0.00 H new ATOM 0 HA THR A 134 -5.765 -2.954 -5.168 1.00 0.00 H new ATOM 0 HB THR A 134 -3.457 -2.738 -4.124 1.00 0.00 H new ATOM 0 HG1 THR A 134 -4.708 -0.957 -2.268 1.00 0.00 H new ATOM 0 HG21 THR A 134 -3.317 -0.301 -4.479 1.00 0.00 H new ATOM 0 HG22 THR A 134 -4.301 -1.093 -5.733 1.00 0.00 H new ATOM 0 HG23 THR A 134 -5.092 -0.194 -4.417 1.00 0.00 H new ATOM 995 N GLU A 135 -5.416 -5.280 -4.372 1.00 0.00 N ATOM 996 CA GLU A 135 -5.292 -6.665 -3.933 1.00 0.00 C ATOM 997 C GLU A 135 -4.042 -6.856 -3.079 1.00 0.00 C ATOM 998 O GLU A 135 -2.930 -6.957 -3.600 1.00 0.00 O ATOM 999 CB GLU A 135 -5.246 -7.604 -5.141 1.00 0.00 C ATOM 1000 CG GLU A 135 -5.223 -9.076 -4.767 1.00 0.00 C ATOM 1001 CD GLU A 135 -5.044 -9.981 -5.971 1.00 0.00 C ATOM 1002 OE1 GLU A 135 -3.913 -10.057 -6.493 1.00 0.00 O ATOM 1003 OE2 GLU A 135 -6.036 -10.614 -6.389 1.00 0.00 O ATOM 0 H GLU A 135 -5.455 -5.160 -5.384 1.00 0.00 H new ATOM 0 HA GLU A 135 -6.165 -6.906 -3.327 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -6.113 -7.412 -5.773 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -4.361 -7.375 -5.735 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -4.413 -9.255 -4.059 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -6.153 -9.333 -4.259 1.00 0.00 H new ATOM 1010 N PHE A 136 -4.232 -6.903 -1.765 1.00 0.00 N ATOM 1011 CA PHE A 136 -3.120 -7.079 -0.838 1.00 0.00 C ATOM 1012 C PHE A 136 -3.063 -8.515 -0.324 1.00 0.00 C ATOM 1013 O PHE A 136 -4.013 -9.005 0.286 1.00 0.00 O ATOM 1014 CB PHE A 136 -3.251 -6.110 0.339 1.00 0.00 C ATOM 1015 CG PHE A 136 -1.961 -5.881 1.073 1.00 0.00 C ATOM 1016 CD1 PHE A 136 -1.233 -6.949 1.572 1.00 0.00 C ATOM 1017 CD2 PHE A 136 -1.476 -4.597 1.264 1.00 0.00 C ATOM 1018 CE1 PHE A 136 -0.045 -6.741 2.247 1.00 0.00 C ATOM 1019 CE2 PHE A 136 -0.289 -4.383 1.939 1.00 0.00 C ATOM 1020 CZ PHE A 136 0.427 -5.456 2.432 1.00 0.00 C ATOM 0 H PHE A 136 -5.145 -6.822 -1.318 1.00 0.00 H new ATOM 0 HA PHE A 136 -2.195 -6.866 -1.374 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -3.626 -5.154 -0.027 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -3.993 -6.497 1.037 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -1.598 -7.956 1.432 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -2.032 -3.754 0.881 1.00 0.00 H new ATOM 0 HE1 PHE A 136 0.514 -7.582 2.629 1.00 0.00 H new ATOM 0 HE2 PHE A 136 0.078 -3.377 2.081 1.00 0.00 H new ATOM 0 HZ PHE A 136 1.354 -5.291 2.961 1.00 0.00 H new ATOM 1030 N GLN A 137 -1.942 -9.183 -0.577 1.00 0.00 N ATOM 1031 CA GLN A 137 -1.761 -10.563 -0.142 1.00 0.00 C ATOM 1032 C GLN A 137 -2.917 -11.439 -0.615 1.00 0.00 C ATOM 1033 O GLN A 137 -3.244 -12.445 0.013 1.00 0.00 O ATOM 1034 CB GLN A 137 -1.647 -10.629 1.382 1.00 0.00 C ATOM 1035 CG GLN A 137 -0.219 -10.514 1.891 1.00 0.00 C ATOM 1036 CD GLN A 137 -0.141 -9.907 3.278 1.00 0.00 C ATOM 1037 OE1 GLN A 137 -1.146 -9.808 3.983 1.00 0.00 O ATOM 1038 NE2 GLN A 137 1.057 -9.496 3.678 1.00 0.00 N ATOM 0 H GLN A 137 -1.146 -8.791 -1.081 1.00 0.00 H new ATOM 0 HA GLN A 137 -0.839 -10.939 -0.585 1.00 0.00 H new ATOM 0 HB2 GLN A 137 -2.245 -9.828 1.818 1.00 0.00 H new ATOM 0 HB3 GLN A 137 -2.073 -11.570 1.729 1.00 0.00 H new ATOM 0 HG2 GLN A 137 0.238 -11.503 1.905 1.00 0.00 H new ATOM 0 HG3 GLN A 137 0.362 -9.904 1.199 1.00 0.00 H new ATOM 0 HE21 GLN A 137 1.863 -9.597 3.061 1.00 0.00 H new ATOM 0 HE22 GLN A 137 1.171 -9.079 4.602 1.00 0.00 H new ATOM 1047 N GLY A 138 -3.531 -11.049 -1.728 1.00 0.00 N ATOM 1048 CA GLY A 138 -4.644 -11.810 -2.266 1.00 0.00 C ATOM 1049 C GLY A 138 -5.979 -11.131 -2.029 1.00 0.00 C ATOM 1050 O GLY A 138 -6.852 -11.142 -2.897 1.00 0.00 O ATOM 0 H GLY A 138 -3.278 -10.220 -2.266 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -4.498 -11.954 -3.337 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -4.657 -12.800 -1.810 1.00 0.00 H new ATOM 1054 N LYS A 139 -6.139 -10.541 -0.849 1.00 0.00 N ATOM 1055 CA LYS A 139 -7.377 -9.855 -0.499 1.00 0.00 C ATOM 1056 C LYS A 139 -7.231 -8.346 -0.674 1.00 0.00 C ATOM 1057 O LYS A 139 -6.277 -7.745 -0.181 1.00 0.00 O ATOM 1058 CB LYS A 139 -7.771 -10.176 0.944 1.00 0.00 C ATOM 1059 CG LYS A 139 -6.620 -10.063 1.929 1.00 0.00 C ATOM 1060 CD LYS A 139 -7.101 -10.188 3.365 1.00 0.00 C ATOM 1061 CE LYS A 139 -7.214 -11.644 3.791 1.00 0.00 C ATOM 1062 NZ LYS A 139 -8.280 -11.842 4.810 1.00 0.00 N ATOM 0 H LYS A 139 -5.427 -10.524 -0.119 1.00 0.00 H new ATOM 0 HA LYS A 139 -8.161 -10.207 -1.170 1.00 0.00 H new ATOM 0 HB2 LYS A 139 -8.569 -9.501 1.252 1.00 0.00 H new ATOM 0 HB3 LYS A 139 -8.175 -11.188 0.985 1.00 0.00 H new ATOM 0 HG2 LYS A 139 -5.885 -10.840 1.722 1.00 0.00 H new ATOM 0 HG3 LYS A 139 -6.118 -9.105 1.795 1.00 0.00 H new ATOM 0 HD2 LYS A 139 -6.410 -9.667 4.028 1.00 0.00 H new ATOM 0 HD3 LYS A 139 -8.071 -9.701 3.469 1.00 0.00 H new ATOM 0 HE2 LYS A 139 -7.426 -12.262 2.919 1.00 0.00 H new ATOM 0 HE3 LYS A 139 -6.259 -11.979 4.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 -8.325 -12.847 5.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 -8.065 -11.272 5.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 -9.196 -11.546 4.416 1.00 0.00 H new ATOM 1076 N ARG A 140 -8.183 -7.742 -1.377 1.00 0.00 N ATOM 1077 CA ARG A 140 -8.160 -6.304 -1.616 1.00 0.00 C ATOM 1078 C ARG A 140 -8.667 -5.542 -0.395 1.00 0.00 C ATOM 1079 O ARG A 140 -9.697 -5.888 0.182 1.00 0.00 O ATOM 1080 CB ARG A 140 -9.011 -5.955 -2.838 1.00 0.00 C ATOM 1081 CG ARG A 140 -9.148 -4.460 -3.078 1.00 0.00 C ATOM 1082 CD ARG A 140 -10.345 -4.144 -3.960 1.00 0.00 C ATOM 1083 NE ARG A 140 -10.018 -4.236 -5.381 1.00 0.00 N ATOM 1084 CZ ARG A 140 -10.047 -5.371 -6.070 1.00 0.00 C ATOM 1085 NH1 ARG A 140 -10.386 -6.505 -5.472 1.00 0.00 N ATOM 1086 NH2 ARG A 140 -9.736 -5.374 -7.360 1.00 0.00 N ATOM 0 H ARG A 140 -8.980 -8.226 -1.791 1.00 0.00 H new ATOM 0 HA ARG A 140 -7.128 -6.009 -1.804 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -8.570 -6.417 -3.721 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -10.004 -6.387 -2.714 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -9.253 -3.945 -2.123 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -8.240 -4.081 -3.546 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -11.157 -4.834 -3.730 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -10.706 -3.140 -3.735 1.00 0.00 H new ATOM 0 HE ARG A 140 -9.753 -3.382 -5.871 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -10.625 -6.507 -4.480 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -10.407 -7.375 -6.004 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -9.474 -4.504 -7.824 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -9.759 -6.246 -7.888 1.00 0.00 H new ATOM 1100 N MET A 141 -7.935 -4.502 -0.007 1.00 0.00 N ATOM 1101 CA MET A 141 -8.311 -3.691 1.145 1.00 0.00 C ATOM 1102 C MET A 141 -8.752 -2.298 0.708 1.00 0.00 C ATOM 1103 O MET A 141 -8.263 -1.765 -0.289 1.00 0.00 O ATOM 1104 CB MET A 141 -7.141 -3.584 2.125 1.00 0.00 C ATOM 1105 CG MET A 141 -5.787 -3.472 1.444 1.00 0.00 C ATOM 1106 SD MET A 141 -5.575 -1.907 0.574 1.00 0.00 S ATOM 1107 CE MET A 141 -3.977 -1.388 1.194 1.00 0.00 C ATOM 0 H MET A 141 -7.079 -4.202 -0.473 1.00 0.00 H new ATOM 0 HA MET A 141 -9.149 -4.179 1.643 1.00 0.00 H new ATOM 0 HB2 MET A 141 -7.291 -2.713 2.763 1.00 0.00 H new ATOM 0 HB3 MET A 141 -7.141 -4.459 2.775 1.00 0.00 H new ATOM 0 HG2 MET A 141 -4.999 -3.578 2.190 1.00 0.00 H new ATOM 0 HG3 MET A 141 -5.670 -4.294 0.738 1.00 0.00 H new ATOM 0 HE1 MET A 141 -3.371 -1.013 0.369 1.00 0.00 H new ATOM 0 HE2 MET A 141 -4.112 -0.598 1.933 1.00 0.00 H new ATOM 0 HE3 MET A 141 -3.474 -2.236 1.658 1.00 0.00 H new ATOM 1117 N HIS A 142 -9.679 -1.712 1.460 1.00 0.00 N ATOM 1118 CA HIS A 142 -10.185 -0.380 1.149 1.00 0.00 C ATOM 1119 C HIS A 142 -9.474 0.680 1.985 1.00 0.00 C ATOM 1120 O HIS A 142 -9.574 0.687 3.213 1.00 0.00 O ATOM 1121 CB HIS A 142 -11.693 -0.314 1.396 1.00 0.00 C ATOM 1122 CG HIS A 142 -12.437 -1.505 0.877 1.00 0.00 C ATOM 1123 ND1 HIS A 142 -13.747 -1.779 1.211 1.00 0.00 N ATOM 1124 CD2 HIS A 142 -12.049 -2.497 0.041 1.00 0.00 C ATOM 1125 CE1 HIS A 142 -14.131 -2.888 0.605 1.00 0.00 C ATOM 1126 NE2 HIS A 142 -13.120 -3.343 -0.112 1.00 0.00 N ATOM 0 H HIS A 142 -10.094 -2.138 2.288 1.00 0.00 H new ATOM 0 HA HIS A 142 -9.988 -0.180 0.096 1.00 0.00 H new ATOM 0 HB2 HIS A 142 -11.874 -0.221 2.467 1.00 0.00 H new ATOM 0 HB3 HIS A 142 -12.091 0.586 0.926 1.00 0.00 H new ATOM 0 HD2 HIS A 142 -11.078 -2.603 -0.420 1.00 0.00 H new ATOM 0 HE1 HIS A 142 -15.106 -3.345 0.683 1.00 0.00 H new ATOM 0 HE2 HIS A 142 -13.132 -4.186 -0.686 1.00 0.00 H new ATOM 1135 N VAL A 143 -8.757 1.574 1.313 1.00 0.00 N ATOM 1136 CA VAL A 143 -8.029 2.639 1.993 1.00 0.00 C ATOM 1137 C VAL A 143 -8.736 3.979 1.829 1.00 0.00 C ATOM 1138 O VAL A 143 -9.180 4.327 0.735 1.00 0.00 O ATOM 1139 CB VAL A 143 -6.588 2.762 1.463 1.00 0.00 C ATOM 1140 CG1 VAL A 143 -5.809 3.789 2.269 1.00 0.00 C ATOM 1141 CG2 VAL A 143 -5.893 1.409 1.493 1.00 0.00 C ATOM 0 H VAL A 143 -8.664 1.582 0.297 1.00 0.00 H new ATOM 0 HA VAL A 143 -7.997 2.375 3.050 1.00 0.00 H new ATOM 0 HB VAL A 143 -6.627 3.102 0.428 1.00 0.00 H new ATOM 0 HG11 VAL A 143 -4.793 3.862 1.880 1.00 0.00 H new ATOM 0 HG12 VAL A 143 -6.298 4.760 2.191 1.00 0.00 H new ATOM 0 HG13 VAL A 143 -5.776 3.482 3.314 1.00 0.00 H new ATOM 0 HG21 VAL A 143 -4.876 1.514 1.115 1.00 0.00 H new ATOM 0 HG22 VAL A 143 -5.863 1.038 2.517 1.00 0.00 H new ATOM 0 HG23 VAL A 143 -6.441 0.704 0.868 1.00 0.00 H new ATOM 1151 N GLN A 144 -8.836 4.728 2.923 1.00 0.00 N ATOM 1152 CA GLN A 144 -9.489 6.031 2.899 1.00 0.00 C ATOM 1153 C GLN A 144 -9.270 6.774 4.213 1.00 0.00 C ATOM 1154 O GLN A 144 -8.921 6.170 5.229 1.00 0.00 O ATOM 1155 CB GLN A 144 -10.987 5.869 2.634 1.00 0.00 C ATOM 1156 CG GLN A 144 -11.775 5.416 3.853 1.00 0.00 C ATOM 1157 CD GLN A 144 -13.181 4.968 3.505 1.00 0.00 C ATOM 1158 OE1 GLN A 144 -13.936 5.697 2.862 1.00 0.00 O ATOM 1159 NE2 GLN A 144 -13.540 3.762 3.930 1.00 0.00 N ATOM 0 H GLN A 144 -8.473 4.455 3.836 1.00 0.00 H new ATOM 0 HA GLN A 144 -9.046 6.617 2.094 1.00 0.00 H new ATOM 0 HB2 GLN A 144 -11.390 6.819 2.283 1.00 0.00 H new ATOM 0 HB3 GLN A 144 -11.129 5.146 1.831 1.00 0.00 H new ATOM 0 HG2 GLN A 144 -11.246 4.596 4.339 1.00 0.00 H new ATOM 0 HG3 GLN A 144 -11.826 6.233 4.573 1.00 0.00 H new ATOM 0 HE21 GLN A 144 -12.882 3.191 4.460 1.00 0.00 H new ATOM 0 HE22 GLN A 144 -14.474 3.407 3.726 1.00 0.00 H new ATOM 1168 N LEU A 145 -9.476 8.086 4.187 1.00 0.00 N ATOM 1169 CA LEU A 145 -9.301 8.912 5.377 1.00 0.00 C ATOM 1170 C LEU A 145 -9.843 8.204 6.615 1.00 0.00 C ATOM 1171 O LEU A 145 -10.690 7.317 6.515 1.00 0.00 O ATOM 1172 CB LEU A 145 -10.006 10.257 5.195 1.00 0.00 C ATOM 1173 CG LEU A 145 -9.294 11.272 4.300 1.00 0.00 C ATOM 1174 CD1 LEU A 145 -7.945 11.653 4.891 1.00 0.00 C ATOM 1175 CD2 LEU A 145 -9.123 10.715 2.894 1.00 0.00 C ATOM 0 H LEU A 145 -9.764 8.601 3.355 1.00 0.00 H new ATOM 0 HA LEU A 145 -8.234 9.084 5.517 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -10.998 10.072 4.783 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -10.148 10.706 6.178 1.00 0.00 H new ATOM 0 HG LEU A 145 -9.909 12.170 4.242 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -7.454 12.376 4.240 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -8.091 12.093 5.877 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -7.322 10.763 4.980 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -8.615 11.451 2.271 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -8.530 9.801 2.934 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -10.102 10.494 2.469 1.00 0.00 H new