USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 582 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: B 196 LYS NZ :NH3+ -172:sc= -2.27! (180deg=-2.94!) USER MOD Set 1.2: B 197 GLN : amide:sc= -2.13 K(o=-4.4,f=-10!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -105:sc= 0 (180deg=-0.117) USER MOD Single : A 68 GLN : amide:sc= -0.171 X(o=-0.17,f=-0.17) USER MOD Single : A 71 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.447) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 173:sc= 0.147 (180deg=0.127) USER MOD Single : A 84 HIS : no HD1:sc=-0.000971 X(o=-0.00097,f=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 GLN : amide:sc= -0.172 X(o=-0.17,f=-0.0086) USER MOD Single : B 168 SER OG : rot 180:sc= 0 USER MOD Single : B 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 174 GLN : amide:sc= -0.367 X(o=-0.37,f=-0.083) USER MOD Single : B 175 ASN : amide:sc= -0.068 K(o=-0.068,f=-1.9!) USER MOD Single : B 176 MET CE :methyl 150:sc= -7.53! (180deg=-10.6!) USER MOD Single : B 184 THR OG1 : rot 90:sc= 1.1 USER MOD Single : B 185 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 188 GLN : amide:sc= -0.538 K(o=-0.54,f=-2.1!) USER MOD Single : B 189 GLN : amide:sc= -0.341 X(o=-0.34,f=0) USER MOD Single : B 191 SER OG : rot 93:sc= 0.00221 USER MOD Single : B 192 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 194 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 195 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 198 GLN : amide:sc= -0.808 K(o=-0.81,f=0) USER MOD Single : B 199 GLN : amide:sc= -0.0437 X(o=-0.044,f=-0.055) USER MOD ----------------------------------------------------------------- ATOM 161 N LEU A 62 0.668 -18.241 2.983 1.00 0.00 N ATOM 162 CA LEU A 62 0.267 -17.375 1.832 1.00 0.00 C ATOM 163 C LEU A 62 -1.111 -16.765 2.091 1.00 0.00 C ATOM 164 O LEU A 62 -1.403 -15.666 1.658 1.00 0.00 O ATOM 165 CB LEU A 62 0.222 -18.307 0.620 1.00 0.00 C ATOM 166 CG LEU A 62 0.668 -17.544 -0.629 1.00 0.00 C ATOM 167 CD1 LEU A 62 1.250 -18.527 -1.647 1.00 0.00 C ATOM 168 CD2 LEU A 62 -0.537 -16.828 -1.245 1.00 0.00 C ATOM 0 HA LEU A 62 0.961 -16.548 1.678 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.872 -19.167 0.785 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.788 -18.693 0.482 1.00 0.00 H new ATOM 0 HG LEU A 62 1.427 -16.811 -0.356 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.568 -17.984 -2.537 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.107 -19.039 -1.209 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.491 -19.259 -1.921 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.221 -16.284 -2.135 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.295 -17.562 -1.518 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.954 -16.128 -0.521 1.00 0.00 H new ATOM 180 N GLU A 63 -1.956 -17.470 2.798 1.00 0.00 N ATOM 181 CA GLU A 63 -3.320 -16.936 3.095 1.00 0.00 C ATOM 182 C GLU A 63 -3.233 -15.857 4.175 1.00 0.00 C ATOM 183 O GLU A 63 -3.934 -14.864 4.130 1.00 0.00 O ATOM 184 CB GLU A 63 -4.125 -18.137 3.597 1.00 0.00 C ATOM 185 CG GLU A 63 -5.593 -17.969 3.200 1.00 0.00 C ATOM 186 CD GLU A 63 -6.260 -16.954 4.130 1.00 0.00 C ATOM 187 OE1 GLU A 63 -6.608 -17.334 5.236 1.00 0.00 O ATOM 188 OE2 GLU A 63 -6.413 -15.816 3.720 1.00 0.00 O ATOM 0 H GLU A 63 -1.760 -18.394 3.183 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.784 -16.479 2.221 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.726 -19.059 3.173 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.037 -18.220 4.680 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.665 -17.633 2.166 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.109 -18.927 3.260 1.00 0.00 H new ATOM 195 N GLU A 64 -2.368 -16.045 5.137 1.00 0.00 N ATOM 196 CA GLU A 64 -2.217 -15.031 6.222 1.00 0.00 C ATOM 197 C GLU A 64 -1.477 -13.807 5.683 1.00 0.00 C ATOM 198 O GLU A 64 -1.698 -12.694 6.121 1.00 0.00 O ATOM 199 CB GLU A 64 -1.394 -15.724 7.311 1.00 0.00 C ATOM 200 CG GLU A 64 -1.709 -15.092 8.669 1.00 0.00 C ATOM 201 CD GLU A 64 -0.757 -15.654 9.726 1.00 0.00 C ATOM 202 OE1 GLU A 64 0.408 -15.293 9.698 1.00 0.00 O ATOM 203 OE2 GLU A 64 -1.209 -16.438 10.546 1.00 0.00 O ATOM 0 H GLU A 64 -1.758 -16.859 5.218 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.177 -14.686 6.606 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.623 -16.789 7.332 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.330 -15.631 7.093 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.606 -14.008 8.611 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.742 -15.299 8.948 1.00 0.00 H new ATOM 210 N THR A 65 -0.606 -14.009 4.728 1.00 0.00 N ATOM 211 CA THR A 65 0.149 -12.861 4.142 1.00 0.00 C ATOM 212 C THR A 65 -0.784 -12.024 3.264 1.00 0.00 C ATOM 213 O THR A 65 -0.615 -10.827 3.129 1.00 0.00 O ATOM 214 CB THR A 65 1.258 -13.494 3.298 1.00 0.00 C ATOM 215 OG1 THR A 65 2.045 -14.346 4.118 1.00 0.00 O ATOM 216 CG2 THR A 65 2.140 -12.396 2.703 1.00 0.00 C ATOM 0 H THR A 65 -0.385 -14.921 4.328 1.00 0.00 H new ATOM 0 HA THR A 65 0.556 -12.199 4.906 1.00 0.00 H new ATOM 0 HB THR A 65 0.814 -14.075 2.490 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.755 -14.754 3.579 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.929 -12.849 2.102 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.534 -11.744 2.074 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.586 -11.812 3.508 1.00 0.00 H new ATOM 224 N LYS A 66 -1.771 -12.649 2.674 1.00 0.00 N ATOM 225 CA LYS A 66 -2.727 -11.896 1.805 1.00 0.00 C ATOM 226 C LYS A 66 -3.587 -10.962 2.658 1.00 0.00 C ATOM 227 O LYS A 66 -4.050 -9.936 2.194 1.00 0.00 O ATOM 228 CB LYS A 66 -3.595 -12.965 1.138 1.00 0.00 C ATOM 229 CG LYS A 66 -2.848 -13.560 -0.057 1.00 0.00 C ATOM 230 CD LYS A 66 -2.885 -12.574 -1.226 1.00 0.00 C ATOM 231 CE LYS A 66 -4.164 -12.794 -2.038 1.00 0.00 C ATOM 232 NZ LYS A 66 -3.857 -13.945 -2.933 1.00 0.00 N ATOM 0 H LYS A 66 -1.957 -13.649 2.756 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.214 -11.277 1.069 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.839 -13.749 1.855 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.538 -12.529 0.810 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.815 -13.776 0.217 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.304 -14.505 -0.350 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.849 -11.550 -0.854 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.010 -12.713 -1.861 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.011 -13.014 -1.389 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.425 -11.905 -2.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.702 -13.600 -3.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.000 -14.428 -2.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.655 -14.612 -2.927 1.00 0.00 H new ATOM 246 N GLU A 67 -3.804 -11.308 3.902 1.00 0.00 N ATOM 247 CA GLU A 67 -4.634 -10.441 4.793 1.00 0.00 C ATOM 248 C GLU A 67 -3.902 -9.129 5.082 1.00 0.00 C ATOM 249 O GLU A 67 -4.514 -8.088 5.230 1.00 0.00 O ATOM 250 CB GLU A 67 -4.825 -11.245 6.080 1.00 0.00 C ATOM 251 CG GLU A 67 -6.072 -10.748 6.814 1.00 0.00 C ATOM 252 CD GLU A 67 -6.036 -11.227 8.266 1.00 0.00 C ATOM 253 OE1 GLU A 67 -5.119 -10.841 8.973 1.00 0.00 O ATOM 254 OE2 GLU A 67 -6.924 -11.971 8.646 1.00 0.00 O ATOM 0 H GLU A 67 -3.441 -12.155 4.340 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.589 -10.180 4.337 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.926 -12.305 5.847 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.948 -11.141 6.719 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.117 -9.659 6.780 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.970 -11.119 6.320 1.00 0.00 H new ATOM 261 N GLN A 68 -2.598 -9.175 5.156 1.00 0.00 N ATOM 262 CA GLN A 68 -1.816 -7.930 5.431 1.00 0.00 C ATOM 263 C GLN A 68 -1.763 -7.065 4.171 1.00 0.00 C ATOM 264 O GLN A 68 -1.766 -5.851 4.240 1.00 0.00 O ATOM 265 CB GLN A 68 -0.415 -8.409 5.816 1.00 0.00 C ATOM 266 CG GLN A 68 0.437 -7.209 6.233 1.00 0.00 C ATOM 267 CD GLN A 68 -0.119 -6.610 7.525 1.00 0.00 C ATOM 268 OE1 GLN A 68 -0.123 -7.254 8.555 1.00 0.00 O ATOM 269 NE2 GLN A 68 -0.593 -5.394 7.514 1.00 0.00 N ATOM 0 H GLN A 68 -2.039 -10.020 5.038 1.00 0.00 H new ATOM 0 HA GLN A 68 -2.262 -7.325 6.220 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -0.476 -9.127 6.634 1.00 0.00 H new ATOM 0 HB3 GLN A 68 0.049 -8.923 4.975 1.00 0.00 H new ATOM 0 HG2 GLN A 68 1.472 -7.518 6.379 1.00 0.00 H new ATOM 0 HG3 GLN A 68 0.437 -6.458 5.443 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -0.590 -4.853 6.649 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -0.967 -4.985 8.370 1.00 0.00 H new ATOM 278 N ILE A 69 -1.723 -7.689 3.023 1.00 0.00 N ATOM 279 CA ILE A 69 -1.682 -6.914 1.746 1.00 0.00 C ATOM 280 C ILE A 69 -3.046 -6.266 1.494 1.00 0.00 C ATOM 281 O ILE A 69 -3.142 -5.228 0.866 1.00 0.00 O ATOM 282 CB ILE A 69 -1.354 -7.941 0.656 1.00 0.00 C ATOM 283 CG1 ILE A 69 -0.007 -8.604 0.966 1.00 0.00 C ATOM 284 CG2 ILE A 69 -1.269 -7.244 -0.706 1.00 0.00 C ATOM 285 CD1 ILE A 69 0.243 -9.742 -0.025 1.00 0.00 C ATOM 0 H ILE A 69 -1.717 -8.703 2.914 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.944 -6.112 1.768 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.140 -8.696 0.629 1.00 0.00 H new ATOM 0 HG12 ILE A 69 0.795 -7.869 0.902 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.005 -8.989 1.986 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.036 -7.979 -1.477 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.224 -6.771 -0.933 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.486 -6.486 -0.679 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.201 -10.213 0.196 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.553 -10.481 0.061 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.260 -9.344 -1.040 1.00 0.00 H new ATOM 297 N LEU A 70 -4.100 -6.869 1.988 1.00 0.00 N ATOM 298 CA LEU A 70 -5.463 -6.288 1.789 1.00 0.00 C ATOM 299 C LEU A 70 -5.599 -4.997 2.598 1.00 0.00 C ATOM 300 O LEU A 70 -6.197 -4.036 2.152 1.00 0.00 O ATOM 301 CB LEU A 70 -6.436 -7.352 2.301 1.00 0.00 C ATOM 302 CG LEU A 70 -7.650 -7.428 1.373 1.00 0.00 C ATOM 303 CD1 LEU A 70 -8.408 -8.732 1.627 1.00 0.00 C ATOM 304 CD2 LEU A 70 -8.576 -6.239 1.647 1.00 0.00 C ATOM 0 H LEU A 70 -4.074 -7.739 2.520 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.658 -6.037 0.746 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.939 -8.321 2.347 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.755 -7.109 3.315 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.316 -7.399 0.336 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.273 -8.785 0.965 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.750 -9.579 1.433 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.742 -8.762 2.664 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.441 -6.292 0.986 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -8.909 -6.269 2.684 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.037 -5.309 1.465 1.00 0.00 H new ATOM 316 N LYS A 71 -5.040 -4.968 3.782 1.00 0.00 N ATOM 317 CA LYS A 71 -5.127 -3.735 4.624 1.00 0.00 C ATOM 318 C LYS A 71 -4.295 -2.617 3.992 1.00 0.00 C ATOM 319 O LYS A 71 -4.604 -1.448 4.132 1.00 0.00 O ATOM 320 CB LYS A 71 -4.548 -4.132 5.984 1.00 0.00 C ATOM 321 CG LYS A 71 -5.024 -3.142 7.050 1.00 0.00 C ATOM 322 CD LYS A 71 -6.348 -3.627 7.642 1.00 0.00 C ATOM 323 CE LYS A 71 -6.445 -3.186 9.104 1.00 0.00 C ATOM 324 NZ LYS A 71 -6.441 -1.697 9.057 1.00 0.00 N ATOM 0 H LYS A 71 -4.528 -5.744 4.202 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.149 -3.367 4.715 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.863 -5.142 6.244 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.459 -4.139 5.939 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.274 -3.049 7.836 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.150 -2.152 6.612 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.184 -3.221 7.072 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.413 -4.713 7.573 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -7.354 -3.564 9.571 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.606 -3.565 9.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.882 -1.321 9.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.461 -1.354 8.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.977 -1.374 8.226 1.00 0.00 H new ATOM 338 N LEU A 72 -3.247 -2.972 3.294 1.00 0.00 N ATOM 339 CA LEU A 72 -2.389 -1.938 2.640 1.00 0.00 C ATOM 340 C LEU A 72 -3.156 -1.266 1.499 1.00 0.00 C ATOM 341 O LEU A 72 -2.965 -0.098 1.216 1.00 0.00 O ATOM 342 CB LEU A 72 -1.179 -2.701 2.098 1.00 0.00 C ATOM 343 CG LEU A 72 -0.036 -2.636 3.114 1.00 0.00 C ATOM 344 CD1 LEU A 72 1.085 -3.583 2.682 1.00 0.00 C ATOM 345 CD2 LEU A 72 0.504 -1.205 3.188 1.00 0.00 C ATOM 0 H LEU A 72 -2.947 -3.936 3.148 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.091 -1.151 3.333 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.448 -3.739 1.904 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.860 -2.271 1.148 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.406 -2.934 4.095 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.899 -3.537 3.405 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.701 -4.602 2.632 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.454 -3.286 1.701 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.318 -1.160 3.912 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.873 -0.904 2.208 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.294 -0.530 3.497 1.00 0.00 H new ATOM 357 N GLU A 73 -4.025 -1.997 0.848 1.00 0.00 N ATOM 358 CA GLU A 73 -4.813 -1.406 -0.277 1.00 0.00 C ATOM 359 C GLU A 73 -5.795 -0.367 0.267 1.00 0.00 C ATOM 360 O GLU A 73 -6.081 0.626 -0.376 1.00 0.00 O ATOM 361 CB GLU A 73 -5.567 -2.579 -0.907 1.00 0.00 C ATOM 362 CG GLU A 73 -5.801 -2.297 -2.392 1.00 0.00 C ATOM 363 CD GLU A 73 -5.953 -3.620 -3.147 1.00 0.00 C ATOM 364 OE1 GLU A 73 -4.975 -4.342 -3.238 1.00 0.00 O ATOM 365 OE2 GLU A 73 -7.046 -3.887 -3.619 1.00 0.00 O ATOM 0 H GLU A 73 -4.223 -2.978 1.047 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.178 -0.901 -1.005 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -4.995 -3.499 -0.786 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.520 -2.727 -0.399 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -6.696 -1.688 -2.520 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.966 -1.727 -2.800 1.00 0.00 H new ATOM 372 N GLU A 74 -6.304 -0.588 1.451 1.00 0.00 N ATOM 373 CA GLU A 74 -7.263 0.387 2.053 1.00 0.00 C ATOM 374 C GLU A 74 -6.506 1.619 2.550 1.00 0.00 C ATOM 375 O GLU A 74 -7.029 2.717 2.565 1.00 0.00 O ATOM 376 CB GLU A 74 -7.910 -0.355 3.226 1.00 0.00 C ATOM 377 CG GLU A 74 -9.289 -0.871 2.811 1.00 0.00 C ATOM 378 CD GLU A 74 -9.817 -1.832 3.878 1.00 0.00 C ATOM 379 OE1 GLU A 74 -9.718 -1.501 5.048 1.00 0.00 O ATOM 380 OE2 GLU A 74 -10.311 -2.885 3.508 1.00 0.00 O ATOM 0 H GLU A 74 -6.097 -1.403 2.028 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.008 0.732 1.336 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.278 -1.187 3.536 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.003 0.311 4.084 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.979 -0.036 2.685 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.224 -1.379 1.849 1.00 0.00 H new ATOM 387 N LYS A 75 -5.274 1.439 2.951 1.00 0.00 N ATOM 388 CA LYS A 75 -4.464 2.593 3.446 1.00 0.00 C ATOM 389 C LYS A 75 -4.023 3.464 2.267 1.00 0.00 C ATOM 390 O LYS A 75 -3.856 4.662 2.399 1.00 0.00 O ATOM 391 CB LYS A 75 -3.251 1.967 4.136 1.00 0.00 C ATOM 392 CG LYS A 75 -2.545 3.024 4.988 1.00 0.00 C ATOM 393 CD LYS A 75 -1.061 2.670 5.113 1.00 0.00 C ATOM 394 CE LYS A 75 -0.880 1.599 6.192 1.00 0.00 C ATOM 395 NZ LYS A 75 0.427 1.916 6.832 1.00 0.00 N ATOM 0 H LYS A 75 -4.792 0.540 2.957 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.027 3.233 4.125 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.566 1.132 4.762 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.563 1.566 3.392 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.658 4.008 4.533 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.002 3.075 5.976 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.681 2.307 4.158 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.484 3.559 5.368 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.693 1.628 6.918 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.875 0.599 5.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.622 1.224 7.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.182 1.874 6.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.390 2.871 7.241 1.00 0.00 H new ATOM 409 N LEU A 76 -3.839 2.867 1.116 1.00 0.00 N ATOM 410 CA LEU A 76 -3.413 3.656 -0.080 1.00 0.00 C ATOM 411 C LEU A 76 -4.594 4.464 -0.618 1.00 0.00 C ATOM 412 O LEU A 76 -4.431 5.564 -1.112 1.00 0.00 O ATOM 413 CB LEU A 76 -2.960 2.617 -1.108 1.00 0.00 C ATOM 414 CG LEU A 76 -2.287 3.324 -2.285 1.00 0.00 C ATOM 415 CD1 LEU A 76 -0.976 3.960 -1.818 1.00 0.00 C ATOM 416 CD2 LEU A 76 -1.994 2.306 -3.390 1.00 0.00 C ATOM 0 H LEU A 76 -3.965 1.868 0.953 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.618 4.364 0.153 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.266 1.913 -0.648 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.815 2.039 -1.458 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.949 4.099 -2.670 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.497 4.464 -2.657 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.183 4.684 -1.030 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.313 3.185 -1.433 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.514 2.809 -4.230 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.332 1.531 -3.004 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.927 1.853 -3.724 1.00 0.00 H new ATOM 428 N LEU A 77 -5.781 3.926 -0.517 1.00 0.00 N ATOM 429 CA LEU A 77 -6.985 4.658 -1.012 1.00 0.00 C ATOM 430 C LEU A 77 -7.343 5.780 -0.039 1.00 0.00 C ATOM 431 O LEU A 77 -7.836 6.822 -0.432 1.00 0.00 O ATOM 432 CB LEU A 77 -8.100 3.612 -1.065 1.00 0.00 C ATOM 433 CG LEU A 77 -7.801 2.600 -2.171 1.00 0.00 C ATOM 434 CD1 LEU A 77 -8.537 1.291 -1.880 1.00 0.00 C ATOM 435 CD2 LEU A 77 -8.272 3.161 -3.515 1.00 0.00 C ATOM 0 H LEU A 77 -5.969 3.009 -0.112 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.821 5.117 -1.987 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.181 3.103 -0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.059 4.097 -1.251 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.728 2.412 -2.210 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.323 0.570 -2.669 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.203 0.891 -0.923 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.610 1.478 -1.840 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.059 2.440 -4.305 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.345 3.349 -3.475 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -7.748 4.093 -3.724 1.00 0.00 H new ATOM 447 N ALA A 78 -7.090 5.574 1.227 1.00 0.00 N ATOM 448 CA ALA A 78 -7.402 6.628 2.239 1.00 0.00 C ATOM 449 C ALA A 78 -6.386 7.767 2.130 1.00 0.00 C ATOM 450 O ALA A 78 -6.692 8.911 2.410 1.00 0.00 O ATOM 451 CB ALA A 78 -7.287 5.933 3.596 1.00 0.00 C ATOM 0 H ALA A 78 -6.680 4.720 1.605 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.391 7.062 2.094 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.503 6.648 4.390 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -8.000 5.110 3.645 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -6.276 5.546 3.722 1.00 0.00 H new ATOM 457 N LEU A 79 -5.183 7.458 1.717 1.00 0.00 N ATOM 458 CA LEU A 79 -4.139 8.518 1.577 1.00 0.00 C ATOM 459 C LEU A 79 -4.415 9.348 0.322 1.00 0.00 C ATOM 460 O LEU A 79 -4.291 10.558 0.330 1.00 0.00 O ATOM 461 CB LEU A 79 -2.804 7.763 1.452 1.00 0.00 C ATOM 462 CG LEU A 79 -1.891 8.083 2.646 1.00 0.00 C ATOM 463 CD1 LEU A 79 -1.600 9.587 2.693 1.00 0.00 C ATOM 464 CD2 LEU A 79 -2.572 7.654 3.950 1.00 0.00 C ATOM 0 H LEU A 79 -4.878 6.516 1.470 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.127 9.206 2.422 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.989 6.690 1.406 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.308 8.041 0.522 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.954 7.538 2.530 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.952 9.806 3.542 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.105 9.891 1.771 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.536 10.136 2.800 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.920 7.883 4.793 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.514 8.191 4.063 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.767 6.582 3.923 1.00 0.00 H new ATOM 476 N GLN A 80 -4.798 8.704 -0.751 1.00 0.00 N ATOM 477 CA GLN A 80 -5.097 9.453 -2.008 1.00 0.00 C ATOM 478 C GLN A 80 -6.395 10.243 -1.842 1.00 0.00 C ATOM 479 O GLN A 80 -6.579 11.287 -2.441 1.00 0.00 O ATOM 480 CB GLN A 80 -5.252 8.382 -3.091 1.00 0.00 C ATOM 481 CG GLN A 80 -3.872 7.986 -3.619 1.00 0.00 C ATOM 482 CD GLN A 80 -3.999 7.489 -5.060 1.00 0.00 C ATOM 483 OE1 GLN A 80 -4.672 6.512 -5.321 1.00 0.00 O ATOM 484 NE2 GLN A 80 -3.376 8.125 -6.014 1.00 0.00 N ATOM 0 H GLN A 80 -4.916 7.693 -0.811 1.00 0.00 H new ATOM 0 HA GLN A 80 -4.314 10.167 -2.262 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -5.761 7.509 -2.683 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -5.870 8.760 -3.905 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -3.196 8.840 -3.576 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -3.441 7.206 -2.991 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -2.811 8.945 -5.795 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -3.454 7.802 -6.978 1.00 0.00 H new ATOM 493 N GLU A 81 -7.292 9.755 -1.023 1.00 0.00 N ATOM 494 CA GLU A 81 -8.582 10.475 -0.800 1.00 0.00 C ATOM 495 C GLU A 81 -8.329 11.749 0.010 1.00 0.00 C ATOM 496 O GLU A 81 -9.036 12.730 -0.125 1.00 0.00 O ATOM 497 CB GLU A 81 -9.459 9.501 -0.010 1.00 0.00 C ATOM 498 CG GLU A 81 -10.083 8.485 -0.969 1.00 0.00 C ATOM 499 CD GLU A 81 -11.371 9.062 -1.558 1.00 0.00 C ATOM 500 OE1 GLU A 81 -12.226 9.462 -0.785 1.00 0.00 O ATOM 501 OE2 GLU A 81 -11.481 9.095 -2.773 1.00 0.00 O ATOM 0 H GLU A 81 -7.186 8.887 -0.498 1.00 0.00 H new ATOM 0 HA GLU A 81 -9.057 10.773 -1.735 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -8.863 8.987 0.744 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -10.241 10.046 0.519 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -9.381 8.245 -1.768 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -10.297 7.555 -0.442 1.00 0.00 H new ATOM 508 N GLU A 82 -7.322 11.737 0.847 1.00 0.00 N ATOM 509 CA GLU A 82 -7.011 12.948 1.668 1.00 0.00 C ATOM 510 C GLU A 82 -6.510 14.075 0.763 1.00 0.00 C ATOM 511 O GLU A 82 -6.887 15.221 0.920 1.00 0.00 O ATOM 512 CB GLU A 82 -5.914 12.509 2.640 1.00 0.00 C ATOM 513 CG GLU A 82 -6.536 12.170 3.997 1.00 0.00 C ATOM 514 CD GLU A 82 -5.524 11.395 4.843 1.00 0.00 C ATOM 515 OE1 GLU A 82 -4.351 11.720 4.774 1.00 0.00 O ATOM 516 OE2 GLU A 82 -5.942 10.489 5.547 1.00 0.00 O ATOM 0 H GLU A 82 -6.702 10.941 0.998 1.00 0.00 H new ATOM 0 HA GLU A 82 -7.887 13.325 2.197 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.388 11.641 2.243 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.177 13.303 2.755 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.832 13.084 4.512 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -7.439 11.576 3.857 1.00 0.00 H new ATOM 523 N LYS A 83 -5.667 13.755 -0.187 1.00 0.00 N ATOM 524 CA LYS A 83 -5.145 14.807 -1.112 1.00 0.00 C ATOM 525 C LYS A 83 -6.282 15.341 -1.987 1.00 0.00 C ATOM 526 O LYS A 83 -6.268 16.482 -2.409 1.00 0.00 O ATOM 527 CB LYS A 83 -4.090 14.107 -1.972 1.00 0.00 C ATOM 528 CG LYS A 83 -2.943 15.077 -2.264 1.00 0.00 C ATOM 529 CD LYS A 83 -1.909 14.390 -3.158 1.00 0.00 C ATOM 530 CE LYS A 83 -2.282 14.602 -4.626 1.00 0.00 C ATOM 531 NZ LYS A 83 -1.404 13.667 -5.384 1.00 0.00 N ATOM 0 H LYS A 83 -5.318 12.812 -0.362 1.00 0.00 H new ATOM 0 HA LYS A 83 -4.724 15.656 -0.574 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.712 13.225 -1.456 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -4.536 13.763 -2.905 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -3.326 15.972 -2.754 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -2.478 15.398 -1.332 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -0.916 14.795 -2.962 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -1.868 13.324 -2.932 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -3.336 14.384 -4.801 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -2.115 15.635 -4.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -1.681 13.666 -6.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -0.414 13.974 -5.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -1.503 12.707 -4.997 1.00 0.00 H new ATOM 545 N HIS A 84 -7.267 14.521 -2.256 1.00 0.00 N ATOM 546 CA HIS A 84 -8.415 14.972 -3.099 1.00 0.00 C ATOM 547 C HIS A 84 -9.241 16.013 -2.342 1.00 0.00 C ATOM 548 O HIS A 84 -9.829 16.900 -2.932 1.00 0.00 O ATOM 549 CB HIS A 84 -9.246 13.713 -3.360 1.00 0.00 C ATOM 550 CG HIS A 84 -10.335 14.026 -4.349 1.00 0.00 C ATOM 551 ND1 HIS A 84 -11.663 13.710 -4.110 1.00 0.00 N ATOM 552 CD2 HIS A 84 -10.308 14.628 -5.583 1.00 0.00 C ATOM 553 CE1 HIS A 84 -12.375 14.119 -5.176 1.00 0.00 C ATOM 554 NE2 HIS A 84 -11.597 14.684 -6.104 1.00 0.00 N ATOM 0 H HIS A 84 -7.325 13.557 -1.927 1.00 0.00 H new ATOM 0 HA HIS A 84 -8.086 15.436 -4.029 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -8.608 12.917 -3.745 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -9.680 13.351 -2.428 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -9.421 15.001 -6.074 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -13.445 14.005 -5.270 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -11.886 15.073 -7.002 1.00 0.00 H new ATOM 562 N GLN A 85 -9.284 15.911 -1.038 1.00 0.00 N ATOM 563 CA GLN A 85 -10.068 16.897 -0.231 1.00 0.00 C ATOM 564 C GLN A 85 -9.446 18.289 -0.367 1.00 0.00 C ATOM 565 O GLN A 85 -10.142 19.284 -0.438 1.00 0.00 O ATOM 566 CB GLN A 85 -9.973 16.405 1.215 1.00 0.00 C ATOM 567 CG GLN A 85 -10.878 15.186 1.401 1.00 0.00 C ATOM 568 CD GLN A 85 -12.244 15.638 1.919 1.00 0.00 C ATOM 569 OE1 GLN A 85 -12.480 15.652 3.111 1.00 0.00 O ATOM 570 NE2 GLN A 85 -13.160 16.011 1.069 1.00 0.00 N ATOM 0 H GLN A 85 -8.810 15.188 -0.496 1.00 0.00 H new ATOM 0 HA GLN A 85 -11.104 16.971 -0.561 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.942 16.145 1.455 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -10.269 17.199 1.900 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.993 14.658 0.455 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.424 14.487 2.103 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -12.962 15.999 0.068 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -14.074 16.314 1.405 1.00 0.00 H new ATOM 579 N LEU A 86 -8.140 18.359 -0.407 1.00 0.00 N ATOM 580 CA LEU A 86 -7.459 19.684 -0.543 1.00 0.00 C ATOM 581 C LEU A 86 -7.869 20.350 -1.858 1.00 0.00 C ATOM 582 O LEU A 86 -7.981 21.559 -1.942 1.00 0.00 O ATOM 583 CB LEU A 86 -5.960 19.370 -0.547 1.00 0.00 C ATOM 584 CG LEU A 86 -5.436 19.362 0.890 1.00 0.00 C ATOM 585 CD1 LEU A 86 -4.325 18.321 1.022 1.00 0.00 C ATOM 586 CD2 LEU A 86 -4.882 20.745 1.237 1.00 0.00 C ATOM 0 H LEU A 86 -7.514 17.555 -0.351 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.726 20.368 0.262 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.782 18.402 -1.016 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.424 20.113 -1.137 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.249 19.114 1.572 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.952 18.315 2.046 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.719 17.335 0.774 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.511 18.569 0.340 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.508 20.741 2.261 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.069 20.993 0.555 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.674 21.488 1.143 1.00 0.00 H new ATOM 598 N PHE A 87 -8.095 19.569 -2.884 1.00 0.00 N ATOM 599 CA PHE A 87 -8.503 20.150 -4.201 1.00 0.00 C ATOM 600 C PHE A 87 -9.853 20.852 -4.064 1.00 0.00 C ATOM 601 O PHE A 87 -10.036 21.962 -4.529 1.00 0.00 O ATOM 602 CB PHE A 87 -8.610 18.959 -5.156 1.00 0.00 C ATOM 603 CG PHE A 87 -7.277 18.730 -5.827 1.00 0.00 C ATOM 604 CD1 PHE A 87 -6.165 18.352 -5.065 1.00 0.00 C ATOM 605 CD2 PHE A 87 -7.154 18.894 -7.212 1.00 0.00 C ATOM 606 CE1 PHE A 87 -4.929 18.139 -5.689 1.00 0.00 C ATOM 607 CE2 PHE A 87 -5.918 18.681 -7.835 1.00 0.00 C ATOM 608 CZ PHE A 87 -4.806 18.304 -7.073 1.00 0.00 C ATOM 0 H PHE A 87 -8.015 18.552 -2.867 1.00 0.00 H new ATOM 0 HA PHE A 87 -7.790 20.891 -4.563 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -8.912 18.066 -4.608 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -9.379 19.148 -5.905 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.260 18.225 -3.997 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -8.012 19.185 -7.800 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -4.071 17.847 -5.102 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -5.823 18.808 -8.903 1.00 0.00 H new ATOM 0 HZ PHE A 87 -3.853 18.140 -7.554 1.00 0.00 H new ATOM 618 N LEU A 88 -10.794 20.212 -3.423 1.00 0.00 N ATOM 619 CA LEU A 88 -12.141 20.834 -3.240 1.00 0.00 C ATOM 620 C LEU A 88 -12.041 22.016 -2.272 1.00 0.00 C ATOM 621 O LEU A 88 -12.808 22.957 -2.347 1.00 0.00 O ATOM 622 CB LEU A 88 -13.020 19.729 -2.651 1.00 0.00 C ATOM 623 CG LEU A 88 -13.204 18.617 -3.684 1.00 0.00 C ATOM 624 CD1 LEU A 88 -13.677 17.342 -2.984 1.00 0.00 C ATOM 625 CD2 LEU A 88 -14.248 19.048 -4.716 1.00 0.00 C ATOM 0 H LEU A 88 -10.689 19.282 -3.016 1.00 0.00 H new ATOM 0 HA LEU A 88 -12.550 21.217 -4.175 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -12.561 19.328 -1.747 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -13.989 20.136 -2.363 1.00 0.00 H new ATOM 0 HG LEU A 88 -12.254 18.426 -4.184 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -13.808 16.550 -3.721 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -12.934 17.034 -2.248 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -14.626 17.533 -2.483 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -14.380 18.256 -5.453 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -15.197 19.239 -4.215 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -13.912 19.956 -5.216 1.00 0.00 H new ATOM 637 N GLN A 89 -11.099 21.968 -1.365 1.00 0.00 N ATOM 638 CA GLN A 89 -10.934 23.082 -0.385 1.00 0.00 C ATOM 639 C GLN A 89 -9.785 24.015 -0.800 1.00 0.00 C ATOM 640 O GLN A 89 -9.405 24.900 -0.056 1.00 0.00 O ATOM 641 CB GLN A 89 -10.604 22.388 0.937 1.00 0.00 C ATOM 642 CG GLN A 89 -10.757 23.380 2.096 1.00 0.00 C ATOM 643 CD GLN A 89 -9.656 23.135 3.135 1.00 0.00 C ATOM 644 OE1 GLN A 89 -9.141 24.068 3.719 1.00 0.00 O ATOM 645 NE2 GLN A 89 -9.275 21.913 3.393 1.00 0.00 N ATOM 0 H GLN A 89 -10.434 21.201 -1.261 1.00 0.00 H new ATOM 0 HA GLN A 89 -11.827 23.703 -0.320 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -11.266 21.535 1.086 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -9.586 22.000 0.910 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -10.697 24.402 1.723 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -11.738 23.266 2.558 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -9.707 21.130 2.903 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -8.545 21.742 4.085 1.00 0.00 H new ATOM 654 N LEU A 90 -9.229 23.832 -1.979 1.00 0.00 N ATOM 655 CA LEU A 90 -8.107 24.715 -2.427 1.00 0.00 C ATOM 656 C LEU A 90 -8.563 26.177 -2.463 1.00 0.00 C ATOM 657 O LEU A 90 -9.625 26.433 -3.007 1.00 0.00 O ATOM 658 CB LEU A 90 -7.750 24.231 -3.836 1.00 0.00 C ATOM 659 CG LEU A 90 -6.563 25.034 -4.373 1.00 0.00 C ATOM 660 CD1 LEU A 90 -5.320 24.740 -3.529 1.00 0.00 C ATOM 661 CD2 LEU A 90 -6.297 24.638 -5.827 1.00 0.00 C ATOM 662 OXT LEU A 90 -7.843 27.016 -1.946 1.00 0.00 O ATOM 0 H LEU A 90 -9.505 23.111 -2.646 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.253 24.664 -1.752 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.503 23.170 -3.814 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.608 24.345 -4.498 1.00 0.00 H new ATOM 0 HG LEU A 90 -6.792 26.098 -4.321 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -4.476 25.313 -3.913 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.509 25.022 -2.493 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.089 23.676 -3.579 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.452 25.209 -6.211 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.069 23.573 -5.878 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.181 24.849 -6.429 1.00 0.00 H new ATOM 675 N GLY B 166 -10.253 27.146 1.180 1.00 0.00 N ATOM 676 CA GLY B 166 -9.661 28.393 0.619 1.00 0.00 C ATOM 677 C GLY B 166 -9.062 29.229 1.751 1.00 0.00 C ATOM 678 O GLY B 166 -9.705 29.484 2.752 1.00 0.00 O ATOM 0 HA2 GLY B 166 -8.891 28.146 -0.111 1.00 0.00 H new ATOM 0 HA3 GLY B 166 -10.425 28.967 0.094 1.00 0.00 H new ATOM 684 N LEU B 167 -7.834 29.657 1.599 1.00 0.00 N ATOM 685 CA LEU B 167 -7.182 30.483 2.667 1.00 0.00 C ATOM 686 C LEU B 167 -6.312 31.583 2.039 1.00 0.00 C ATOM 687 O LEU B 167 -6.753 32.708 1.885 1.00 0.00 O ATOM 688 CB LEU B 167 -6.331 29.522 3.537 1.00 0.00 C ATOM 689 CG LEU B 167 -5.744 28.355 2.714 1.00 0.00 C ATOM 690 CD1 LEU B 167 -4.306 28.082 3.162 1.00 0.00 C ATOM 691 CD2 LEU B 167 -6.594 27.098 2.929 1.00 0.00 C ATOM 0 H LEU B 167 -7.253 29.471 0.782 1.00 0.00 H new ATOM 0 HA LEU B 167 -7.930 30.983 3.283 1.00 0.00 H new ATOM 0 HB2 LEU B 167 -5.519 30.080 4.003 1.00 0.00 H new ATOM 0 HB3 LEU B 167 -6.947 29.122 4.343 1.00 0.00 H new ATOM 0 HG LEU B 167 -5.749 28.621 1.657 1.00 0.00 H new ATOM 0 HD11 LEU B 167 -3.894 27.258 2.580 1.00 0.00 H new ATOM 0 HD12 LEU B 167 -3.701 28.975 3.006 1.00 0.00 H new ATOM 0 HD13 LEU B 167 -4.298 27.818 4.220 1.00 0.00 H new ATOM 0 HD21 LEU B 167 -6.179 26.274 2.348 1.00 0.00 H new ATOM 0 HD22 LEU B 167 -6.591 26.833 3.986 1.00 0.00 H new ATOM 0 HD23 LEU B 167 -7.617 27.291 2.606 1.00 0.00 H new ATOM 703 N SER B 168 -5.088 31.280 1.676 1.00 0.00 N ATOM 704 CA SER B 168 -4.206 32.318 1.063 1.00 0.00 C ATOM 705 C SER B 168 -3.614 31.818 -0.259 1.00 0.00 C ATOM 706 O SER B 168 -2.619 32.334 -0.732 1.00 0.00 O ATOM 707 CB SER B 168 -3.096 32.545 2.089 1.00 0.00 C ATOM 708 OG SER B 168 -3.662 33.073 3.282 1.00 0.00 O ATOM 0 H SER B 168 -4.664 30.358 1.779 1.00 0.00 H new ATOM 0 HA SER B 168 -4.753 33.232 0.834 1.00 0.00 H new ATOM 0 HB2 SER B 168 -2.582 31.607 2.300 1.00 0.00 H new ATOM 0 HB3 SER B 168 -2.351 33.234 1.690 1.00 0.00 H new ATOM 0 HG SER B 168 -2.954 33.219 3.944 1.00 0.00 H new ATOM 714 N LYS B 169 -4.211 30.809 -0.859 1.00 0.00 N ATOM 715 CA LYS B 169 -3.678 30.263 -2.153 1.00 0.00 C ATOM 716 C LYS B 169 -2.177 29.967 -2.038 1.00 0.00 C ATOM 717 O LYS B 169 -1.454 29.973 -3.016 1.00 0.00 O ATOM 718 CB LYS B 169 -3.932 31.356 -3.193 1.00 0.00 C ATOM 719 CG LYS B 169 -3.844 30.752 -4.597 1.00 0.00 C ATOM 720 CD LYS B 169 -4.984 29.751 -4.798 1.00 0.00 C ATOM 721 CE LYS B 169 -5.279 29.607 -6.293 1.00 0.00 C ATOM 722 NZ LYS B 169 -6.726 29.265 -6.367 1.00 0.00 N ATOM 0 H LYS B 169 -5.046 30.340 -0.507 1.00 0.00 H new ATOM 0 HA LYS B 169 -4.163 29.325 -2.425 1.00 0.00 H new ATOM 0 HB2 LYS B 169 -4.915 31.800 -3.037 1.00 0.00 H new ATOM 0 HB3 LYS B 169 -3.200 32.156 -3.083 1.00 0.00 H new ATOM 0 HG2 LYS B 169 -3.902 31.541 -5.347 1.00 0.00 H new ATOM 0 HG3 LYS B 169 -2.883 30.256 -4.731 1.00 0.00 H new ATOM 0 HD2 LYS B 169 -4.712 28.784 -4.375 1.00 0.00 H new ATOM 0 HD3 LYS B 169 -5.876 30.089 -4.271 1.00 0.00 H new ATOM 0 HE2 LYS B 169 -5.064 30.531 -6.829 1.00 0.00 H new ATOM 0 HE3 LYS B 169 -4.665 28.827 -6.743 1.00 0.00 H new ATOM 0 HZ1 LYS B 169 -7.005 29.150 -7.362 1.00 0.00 H new ATOM 0 HZ2 LYS B 169 -6.900 28.377 -5.854 1.00 0.00 H new ATOM 0 HZ3 LYS B 169 -7.286 30.029 -5.937 1.00 0.00 H new ATOM 736 N GLU B 170 -1.712 29.710 -0.842 1.00 0.00 N ATOM 737 CA GLU B 170 -0.266 29.413 -0.638 1.00 0.00 C ATOM 738 C GLU B 170 -0.105 28.452 0.539 1.00 0.00 C ATOM 739 O GLU B 170 0.609 27.470 0.453 1.00 0.00 O ATOM 740 CB GLU B 170 0.379 30.763 -0.326 1.00 0.00 C ATOM 741 CG GLU B 170 1.896 30.592 -0.222 1.00 0.00 C ATOM 742 CD GLU B 170 2.527 31.906 0.242 1.00 0.00 C ATOM 743 OE1 GLU B 170 2.670 32.795 -0.581 1.00 0.00 O ATOM 744 OE2 GLU B 170 2.856 32.000 1.413 1.00 0.00 O ATOM 0 H GLU B 170 -2.278 29.694 0.006 1.00 0.00 H new ATOM 0 HA GLU B 170 0.194 28.942 -1.507 1.00 0.00 H new ATOM 0 HB2 GLU B 170 0.136 31.483 -1.107 1.00 0.00 H new ATOM 0 HB3 GLU B 170 -0.018 31.160 0.608 1.00 0.00 H new ATOM 0 HG2 GLU B 170 2.135 29.793 0.480 1.00 0.00 H new ATOM 0 HG3 GLU B 170 2.307 30.300 -1.189 1.00 0.00 H new ATOM 751 N GLU B 171 -0.772 28.724 1.633 1.00 0.00 N ATOM 752 CA GLU B 171 -0.666 27.818 2.813 1.00 0.00 C ATOM 753 C GLU B 171 -1.289 26.467 2.468 1.00 0.00 C ATOM 754 O GLU B 171 -0.824 25.428 2.899 1.00 0.00 O ATOM 755 CB GLU B 171 -1.444 28.510 3.938 1.00 0.00 C ATOM 756 CG GLU B 171 -0.465 29.092 4.961 1.00 0.00 C ATOM 757 CD GLU B 171 -1.093 29.043 6.355 1.00 0.00 C ATOM 758 OE1 GLU B 171 -2.199 29.536 6.503 1.00 0.00 O ATOM 759 OE2 GLU B 171 -0.457 28.513 7.251 1.00 0.00 O ATOM 0 H GLU B 171 -1.383 29.531 1.758 1.00 0.00 H new ATOM 0 HA GLU B 171 0.367 27.636 3.109 1.00 0.00 H new ATOM 0 HB2 GLU B 171 -2.069 29.303 3.527 1.00 0.00 H new ATOM 0 HB3 GLU B 171 -2.111 27.798 4.423 1.00 0.00 H new ATOM 0 HG2 GLU B 171 0.467 28.527 4.951 1.00 0.00 H new ATOM 0 HG3 GLU B 171 -0.217 30.120 4.698 1.00 0.00 H new ATOM 766 N LEU B 172 -2.328 26.479 1.675 1.00 0.00 N ATOM 767 CA LEU B 172 -2.980 25.202 1.268 1.00 0.00 C ATOM 768 C LEU B 172 -2.141 24.533 0.179 1.00 0.00 C ATOM 769 O LEU B 172 -2.113 23.323 0.056 1.00 0.00 O ATOM 770 CB LEU B 172 -4.351 25.602 0.722 1.00 0.00 C ATOM 771 CG LEU B 172 -5.281 24.387 0.742 1.00 0.00 C ATOM 772 CD1 LEU B 172 -6.734 24.854 0.659 1.00 0.00 C ATOM 773 CD2 LEU B 172 -4.967 23.486 -0.454 1.00 0.00 C ATOM 0 H LEU B 172 -2.754 27.322 1.291 1.00 0.00 H new ATOM 0 HA LEU B 172 -3.073 24.496 2.093 1.00 0.00 H new ATOM 0 HB2 LEU B 172 -4.773 26.407 1.324 1.00 0.00 H new ATOM 0 HB3 LEU B 172 -4.253 25.982 -0.295 1.00 0.00 H new ATOM 0 HG LEU B 172 -5.131 23.831 1.667 1.00 0.00 H new ATOM 0 HD11 LEU B 172 -7.396 23.988 0.673 1.00 0.00 H new ATOM 0 HD12 LEU B 172 -6.959 25.497 1.510 1.00 0.00 H new ATOM 0 HD13 LEU B 172 -6.885 25.411 -0.266 1.00 0.00 H new ATOM 0 HD21 LEU B 172 -5.629 22.620 -0.441 1.00 0.00 H new ATOM 0 HD22 LEU B 172 -5.117 24.043 -1.379 1.00 0.00 H new ATOM 0 HD23 LEU B 172 -3.931 23.152 -0.396 1.00 0.00 H new ATOM 785 N ILE B 173 -1.446 25.321 -0.604 1.00 0.00 N ATOM 786 CA ILE B 173 -0.591 24.746 -1.684 1.00 0.00 C ATOM 787 C ILE B 173 0.587 24.000 -1.055 1.00 0.00 C ATOM 788 O ILE B 173 1.076 23.025 -1.596 1.00 0.00 O ATOM 789 CB ILE B 173 -0.092 25.946 -2.501 1.00 0.00 C ATOM 790 CG1 ILE B 173 -1.283 26.756 -3.045 1.00 0.00 C ATOM 791 CG2 ILE B 173 0.764 25.448 -3.670 1.00 0.00 C ATOM 792 CD1 ILE B 173 -2.167 25.877 -3.938 1.00 0.00 C ATOM 0 H ILE B 173 -1.435 26.339 -0.540 1.00 0.00 H new ATOM 0 HA ILE B 173 -1.135 24.039 -2.311 1.00 0.00 H new ATOM 0 HB ILE B 173 0.506 26.589 -1.854 1.00 0.00 H new ATOM 0 HG12 ILE B 173 -1.871 27.150 -2.216 1.00 0.00 H new ATOM 0 HG13 ILE B 173 -0.919 27.612 -3.613 1.00 0.00 H new ATOM 0 HG21 ILE B 173 1.118 26.300 -4.250 1.00 0.00 H new ATOM 0 HG22 ILE B 173 1.618 24.891 -3.284 1.00 0.00 H new ATOM 0 HG23 ILE B 173 0.165 24.798 -4.308 1.00 0.00 H new ATOM 0 HD11 ILE B 173 -3.004 26.466 -4.314 1.00 0.00 H new ATOM 0 HD12 ILE B 173 -1.580 25.504 -4.777 1.00 0.00 H new ATOM 0 HD13 ILE B 173 -2.547 25.035 -3.359 1.00 0.00 H new ATOM 804 N GLN B 174 1.038 24.450 0.090 1.00 0.00 N ATOM 805 CA GLN B 174 2.181 23.767 0.768 1.00 0.00 C ATOM 806 C GLN B 174 1.696 22.475 1.428 1.00 0.00 C ATOM 807 O GLN B 174 2.432 21.513 1.546 1.00 0.00 O ATOM 808 CB GLN B 174 2.676 24.759 1.822 1.00 0.00 C ATOM 809 CG GLN B 174 3.734 25.676 1.205 1.00 0.00 C ATOM 810 CD GLN B 174 5.068 24.932 1.122 1.00 0.00 C ATOM 811 OE1 GLN B 174 5.838 24.935 2.062 1.00 0.00 O ATOM 812 NE2 GLN B 174 5.378 24.292 0.028 1.00 0.00 N ATOM 0 H GLN B 174 0.664 25.260 0.584 1.00 0.00 H new ATOM 0 HA GLN B 174 2.974 23.494 0.071 1.00 0.00 H new ATOM 0 HB2 GLN B 174 1.842 25.351 2.199 1.00 0.00 H new ATOM 0 HB3 GLN B 174 3.096 24.222 2.672 1.00 0.00 H new ATOM 0 HG2 GLN B 174 3.420 25.994 0.211 1.00 0.00 H new ATOM 0 HG3 GLN B 174 3.845 26.578 1.807 1.00 0.00 H new ATOM 0 HE21 GLN B 174 4.732 24.289 -0.762 1.00 0.00 H new ATOM 0 HE22 GLN B 174 6.266 23.795 -0.038 1.00 0.00 H new ATOM 821 N ASN B 175 0.458 22.450 1.851 1.00 0.00 N ATOM 822 CA ASN B 175 -0.092 21.221 2.499 1.00 0.00 C ATOM 823 C ASN B 175 -0.371 20.155 1.438 1.00 0.00 C ATOM 824 O ASN B 175 -0.290 18.970 1.699 1.00 0.00 O ATOM 825 CB ASN B 175 -1.394 21.666 3.168 1.00 0.00 C ATOM 826 CG ASN B 175 -1.075 22.354 4.498 1.00 0.00 C ATOM 827 OD1 ASN B 175 -0.060 22.083 5.107 1.00 0.00 O ATOM 828 ND2 ASN B 175 -1.908 23.237 4.976 1.00 0.00 N ATOM 0 H ASN B 175 -0.197 23.229 1.776 1.00 0.00 H new ATOM 0 HA ASN B 175 0.602 20.787 3.219 1.00 0.00 H new ATOM 0 HB2 ASN B 175 -1.937 22.349 2.514 1.00 0.00 H new ATOM 0 HB3 ASN B 175 -2.041 20.805 3.337 1.00 0.00 H new ATOM 0 HD21 ASN B 175 -1.707 23.700 5.862 1.00 0.00 H new ATOM 0 HD22 ASN B 175 -2.760 23.464 4.464 1.00 0.00 H new ATOM 835 N MET B 176 -0.694 20.574 0.240 1.00 0.00 N ATOM 836 CA MET B 176 -0.976 19.592 -0.851 1.00 0.00 C ATOM 837 C MET B 176 0.327 18.928 -1.302 1.00 0.00 C ATOM 838 O MET B 176 0.340 17.784 -1.713 1.00 0.00 O ATOM 839 CB MET B 176 -1.582 20.417 -1.993 1.00 0.00 C ATOM 840 CG MET B 176 -3.097 20.192 -2.048 1.00 0.00 C ATOM 841 SD MET B 176 -3.668 20.333 -3.761 1.00 0.00 S ATOM 842 CE MET B 176 -5.183 21.267 -3.429 1.00 0.00 C ATOM 0 H MET B 176 -0.775 21.554 -0.030 1.00 0.00 H new ATOM 0 HA MET B 176 -1.649 18.798 -0.528 1.00 0.00 H new ATOM 0 HB2 MET B 176 -1.367 21.475 -1.843 1.00 0.00 H new ATOM 0 HB3 MET B 176 -1.128 20.131 -2.942 1.00 0.00 H new ATOM 0 HG2 MET B 176 -3.344 19.207 -1.651 1.00 0.00 H new ATOM 0 HG3 MET B 176 -3.607 20.924 -1.422 1.00 0.00 H new ATOM 0 HE1 MET B 176 -5.412 21.904 -4.283 1.00 0.00 H new ATOM 0 HE2 MET B 176 -6.008 20.575 -3.261 1.00 0.00 H new ATOM 0 HE3 MET B 176 -5.042 21.885 -2.542 1.00 0.00 H new ATOM 852 N ASP B 177 1.420 19.643 -1.222 1.00 0.00 N ATOM 853 CA ASP B 177 2.731 19.060 -1.640 1.00 0.00 C ATOM 854 C ASP B 177 3.247 18.108 -0.560 1.00 0.00 C ATOM 855 O ASP B 177 3.938 17.148 -0.845 1.00 0.00 O ATOM 856 CB ASP B 177 3.671 20.257 -1.797 1.00 0.00 C ATOM 857 CG ASP B 177 3.494 20.866 -3.189 1.00 0.00 C ATOM 858 OD1 ASP B 177 4.186 20.433 -4.096 1.00 0.00 O ATOM 859 OD2 ASP B 177 2.670 21.755 -3.325 1.00 0.00 O ATOM 0 H ASP B 177 1.462 20.605 -0.885 1.00 0.00 H new ATOM 0 HA ASP B 177 2.653 18.485 -2.563 1.00 0.00 H new ATOM 0 HB2 ASP B 177 3.457 21.003 -1.032 1.00 0.00 H new ATOM 0 HB3 ASP B 177 4.705 19.942 -1.655 1.00 0.00 H new ATOM 864 N ARG B 178 2.910 18.367 0.677 1.00 0.00 N ATOM 865 CA ARG B 178 3.369 17.478 1.786 1.00 0.00 C ATOM 866 C ARG B 178 2.533 16.197 1.804 1.00 0.00 C ATOM 867 O ARG B 178 3.003 15.144 2.190 1.00 0.00 O ATOM 868 CB ARG B 178 3.147 18.284 3.067 1.00 0.00 C ATOM 869 CG ARG B 178 3.987 17.688 4.199 1.00 0.00 C ATOM 870 CD ARG B 178 3.142 16.686 4.989 1.00 0.00 C ATOM 871 NE ARG B 178 2.244 17.521 5.834 1.00 0.00 N ATOM 872 CZ ARG B 178 2.137 17.278 7.112 1.00 0.00 C ATOM 873 NH1 ARG B 178 1.380 16.302 7.529 1.00 0.00 N ATOM 874 NH2 ARG B 178 2.789 18.014 7.972 1.00 0.00 N ATOM 0 H ARG B 178 2.335 19.158 0.968 1.00 0.00 H new ATOM 0 HA ARG B 178 4.412 17.181 1.675 1.00 0.00 H new ATOM 0 HB2 ARG B 178 3.423 19.326 2.906 1.00 0.00 H new ATOM 0 HB3 ARG B 178 2.091 18.272 3.338 1.00 0.00 H new ATOM 0 HG2 ARG B 178 4.869 17.194 3.791 1.00 0.00 H new ATOM 0 HG3 ARG B 178 4.342 18.480 4.858 1.00 0.00 H new ATOM 0 HD2 ARG B 178 2.570 16.041 4.323 1.00 0.00 H new ATOM 0 HD3 ARG B 178 3.769 16.037 5.601 1.00 0.00 H new ATOM 0 HE ARG B 178 1.712 18.283 5.414 1.00 0.00 H new ATOM 0 HH11 ARG B 178 0.871 15.728 6.857 1.00 0.00 H new ATOM 0 HH12 ARG B 178 1.297 16.112 8.528 1.00 0.00 H new ATOM 0 HH21 ARG B 178 3.381 18.778 7.645 1.00 0.00 H new ATOM 0 HH22 ARG B 178 2.706 17.825 8.971 1.00 0.00 H new ATOM 888 N VAL B 179 1.297 16.283 1.382 1.00 0.00 N ATOM 889 CA VAL B 179 0.421 15.073 1.362 1.00 0.00 C ATOM 890 C VAL B 179 0.830 14.159 0.203 1.00 0.00 C ATOM 891 O VAL B 179 0.683 12.953 0.272 1.00 0.00 O ATOM 892 CB VAL B 179 -1.002 15.607 1.161 1.00 0.00 C ATOM 893 CG1 VAL B 179 -1.991 14.438 1.110 1.00 0.00 C ATOM 894 CG2 VAL B 179 -1.373 16.528 2.328 1.00 0.00 C ATOM 0 H VAL B 179 0.856 17.141 1.050 1.00 0.00 H new ATOM 0 HA VAL B 179 0.499 14.486 2.277 1.00 0.00 H new ATOM 0 HB VAL B 179 -1.046 16.163 0.225 1.00 0.00 H new ATOM 0 HG11 VAL B 179 -3.001 14.822 0.967 1.00 0.00 H new ATOM 0 HG12 VAL B 179 -1.733 13.779 0.281 1.00 0.00 H new ATOM 0 HG13 VAL B 179 -1.944 13.880 2.045 1.00 0.00 H new ATOM 0 HG21 VAL B 179 -2.385 16.907 2.185 1.00 0.00 H new ATOM 0 HG22 VAL B 179 -1.324 15.969 3.262 1.00 0.00 H new ATOM 0 HG23 VAL B 179 -0.674 17.364 2.368 1.00 0.00 H new ATOM 904 N ASP B 180 1.346 14.727 -0.857 1.00 0.00 N ATOM 905 CA ASP B 180 1.771 13.898 -2.026 1.00 0.00 C ATOM 906 C ASP B 180 3.036 13.109 -1.676 1.00 0.00 C ATOM 907 O ASP B 180 3.270 12.035 -2.197 1.00 0.00 O ATOM 908 CB ASP B 180 2.056 14.897 -3.149 1.00 0.00 C ATOM 909 CG ASP B 180 2.420 14.139 -4.427 1.00 0.00 C ATOM 910 OD1 ASP B 180 3.366 13.371 -4.388 1.00 0.00 O ATOM 911 OD2 ASP B 180 1.745 14.340 -5.423 1.00 0.00 O ATOM 0 H ASP B 180 1.492 15.731 -0.964 1.00 0.00 H new ATOM 0 HA ASP B 180 1.009 13.174 -2.315 1.00 0.00 H new ATOM 0 HB2 ASP B 180 1.182 15.524 -3.322 1.00 0.00 H new ATOM 0 HB3 ASP B 180 2.872 15.560 -2.862 1.00 0.00 H new ATOM 916 N ARG B 181 3.846 13.633 -0.792 1.00 0.00 N ATOM 917 CA ARG B 181 5.097 12.917 -0.398 1.00 0.00 C ATOM 918 C ARG B 181 4.760 11.739 0.521 1.00 0.00 C ATOM 919 O ARG B 181 5.455 10.742 0.543 1.00 0.00 O ATOM 920 CB ARG B 181 5.939 13.954 0.347 1.00 0.00 C ATOM 921 CG ARG B 181 6.587 14.907 -0.660 1.00 0.00 C ATOM 922 CD ARG B 181 7.128 16.136 0.074 1.00 0.00 C ATOM 923 NE ARG B 181 8.512 15.764 0.477 1.00 0.00 N ATOM 924 CZ ARG B 181 8.872 15.845 1.729 1.00 0.00 C ATOM 925 NH1 ARG B 181 8.697 16.958 2.387 1.00 0.00 N ATOM 926 NH2 ARG B 181 9.406 14.812 2.323 1.00 0.00 N ATOM 0 H ARG B 181 3.695 14.527 -0.325 1.00 0.00 H new ATOM 0 HA ARG B 181 5.627 12.511 -1.260 1.00 0.00 H new ATOM 0 HB2 ARG B 181 5.314 14.514 1.042 1.00 0.00 H new ATOM 0 HB3 ARG B 181 6.707 13.456 0.939 1.00 0.00 H new ATOM 0 HG2 ARG B 181 7.395 14.401 -1.188 1.00 0.00 H new ATOM 0 HG3 ARG B 181 5.857 15.211 -1.411 1.00 0.00 H new ATOM 0 HD2 ARG B 181 7.127 17.014 -0.572 1.00 0.00 H new ATOM 0 HD3 ARG B 181 6.516 16.379 0.942 1.00 0.00 H new ATOM 0 HE ARG B 181 9.179 15.446 -0.226 1.00 0.00 H new ATOM 0 HH11 ARG B 181 8.279 17.764 1.923 1.00 0.00 H new ATOM 0 HH12 ARG B 181 8.978 17.022 3.365 1.00 0.00 H new ATOM 0 HH21 ARG B 181 9.542 13.942 1.809 1.00 0.00 H new ATOM 0 HH22 ARG B 181 9.687 14.875 3.301 1.00 0.00 H new ATOM 940 N GLU B 182 3.695 11.853 1.275 1.00 0.00 N ATOM 941 CA GLU B 182 3.302 10.742 2.194 1.00 0.00 C ATOM 942 C GLU B 182 2.692 9.590 1.393 1.00 0.00 C ATOM 943 O GLU B 182 2.866 8.432 1.725 1.00 0.00 O ATOM 944 CB GLU B 182 2.263 11.349 3.138 1.00 0.00 C ATOM 945 CG GLU B 182 2.127 10.469 4.382 1.00 0.00 C ATOM 946 CD GLU B 182 3.156 10.901 5.428 1.00 0.00 C ATOM 947 OE1 GLU B 182 2.848 11.793 6.199 1.00 0.00 O ATOM 948 OE2 GLU B 182 4.235 10.331 5.439 1.00 0.00 O ATOM 0 H GLU B 182 3.081 12.667 1.293 1.00 0.00 H new ATOM 0 HA GLU B 182 4.154 10.337 2.739 1.00 0.00 H new ATOM 0 HB2 GLU B 182 2.561 12.358 3.424 1.00 0.00 H new ATOM 0 HB3 GLU B 182 1.301 11.433 2.632 1.00 0.00 H new ATOM 0 HG2 GLU B 182 1.120 10.552 4.791 1.00 0.00 H new ATOM 0 HG3 GLU B 182 2.278 9.422 4.118 1.00 0.00 H new ATOM 955 N ILE B 183 1.986 9.904 0.338 1.00 0.00 N ATOM 956 CA ILE B 183 1.363 8.832 -0.498 1.00 0.00 C ATOM 957 C ILE B 183 2.450 8.083 -1.274 1.00 0.00 C ATOM 958 O ILE B 183 2.307 6.915 -1.585 1.00 0.00 O ATOM 959 CB ILE B 183 0.411 9.561 -1.455 1.00 0.00 C ATOM 960 CG1 ILE B 183 -0.638 10.330 -0.646 1.00 0.00 C ATOM 961 CG2 ILE B 183 -0.296 8.542 -2.352 1.00 0.00 C ATOM 962 CD1 ILE B 183 -1.377 11.309 -1.562 1.00 0.00 C ATOM 0 H ILE B 183 1.813 10.857 0.018 1.00 0.00 H new ATOM 0 HA ILE B 183 0.832 8.094 0.102 1.00 0.00 H new ATOM 0 HB ILE B 183 0.983 10.256 -2.070 1.00 0.00 H new ATOM 0 HG12 ILE B 183 -1.345 9.634 -0.194 1.00 0.00 H new ATOM 0 HG13 ILE B 183 -0.158 10.871 0.170 1.00 0.00 H new ATOM 0 HG21 ILE B 183 -0.972 9.062 -3.031 1.00 0.00 H new ATOM 0 HG22 ILE B 183 0.445 7.990 -2.930 1.00 0.00 H new ATOM 0 HG23 ILE B 183 -0.866 7.847 -1.735 1.00 0.00 H new ATOM 0 HD11 ILE B 183 -2.123 11.855 -0.985 1.00 0.00 H new ATOM 0 HD12 ILE B 183 -0.665 12.013 -1.993 1.00 0.00 H new ATOM 0 HD13 ILE B 183 -1.870 10.757 -2.362 1.00 0.00 H new ATOM 974 N THR B 184 3.535 8.747 -1.583 1.00 0.00 N ATOM 975 CA THR B 184 4.640 8.079 -2.334 1.00 0.00 C ATOM 976 C THR B 184 5.363 7.089 -1.420 1.00 0.00 C ATOM 977 O THR B 184 5.825 6.051 -1.857 1.00 0.00 O ATOM 978 CB THR B 184 5.583 9.206 -2.759 1.00 0.00 C ATOM 979 OG1 THR B 184 4.818 10.309 -3.225 1.00 0.00 O ATOM 980 CG2 THR B 184 6.503 8.713 -3.876 1.00 0.00 C ATOM 0 H THR B 184 3.703 9.725 -1.347 1.00 0.00 H new ATOM 0 HA THR B 184 4.275 7.518 -3.194 1.00 0.00 H new ATOM 0 HB THR B 184 6.187 9.515 -1.906 1.00 0.00 H new ATOM 0 HG1 THR B 184 4.609 10.903 -2.474 1.00 0.00 H new ATOM 0 HG21 THR B 184 7.174 9.518 -4.177 1.00 0.00 H new ATOM 0 HG22 THR B 184 7.089 7.867 -3.518 1.00 0.00 H new ATOM 0 HG23 THR B 184 5.903 8.402 -4.731 1.00 0.00 H new ATOM 988 N MET B 185 5.455 7.401 -0.152 1.00 0.00 N ATOM 989 CA MET B 185 6.139 6.477 0.802 1.00 0.00 C ATOM 990 C MET B 185 5.231 5.285 1.107 1.00 0.00 C ATOM 991 O MET B 185 5.687 4.166 1.249 1.00 0.00 O ATOM 992 CB MET B 185 6.382 7.305 2.065 1.00 0.00 C ATOM 993 CG MET B 185 7.356 6.564 2.983 1.00 0.00 C ATOM 994 SD MET B 185 7.233 7.235 4.660 1.00 0.00 S ATOM 995 CE MET B 185 8.322 6.035 5.465 1.00 0.00 C ATOM 0 H MET B 185 5.086 8.256 0.264 1.00 0.00 H new ATOM 0 HA MET B 185 7.071 6.080 0.399 1.00 0.00 H new ATOM 0 HB2 MET B 185 6.787 8.281 1.800 1.00 0.00 H new ATOM 0 HB3 MET B 185 5.440 7.481 2.584 1.00 0.00 H new ATOM 0 HG2 MET B 185 7.128 5.498 2.989 1.00 0.00 H new ATOM 0 HG3 MET B 185 8.375 6.670 2.611 1.00 0.00 H new ATOM 0 HE1 MET B 185 8.392 6.264 6.528 1.00 0.00 H new ATOM 0 HE2 MET B 185 7.916 5.032 5.336 1.00 0.00 H new ATOM 0 HE3 MET B 185 9.314 6.086 5.016 1.00 0.00 H new ATOM 1005 N VAL B 186 3.947 5.521 1.198 1.00 0.00 N ATOM 1006 CA VAL B 186 2.994 4.405 1.483 1.00 0.00 C ATOM 1007 C VAL B 186 2.816 3.550 0.225 1.00 0.00 C ATOM 1008 O VAL B 186 2.586 2.358 0.302 1.00 0.00 O ATOM 1009 CB VAL B 186 1.675 5.085 1.870 1.00 0.00 C ATOM 1010 CG1 VAL B 186 0.623 4.022 2.194 1.00 0.00 C ATOM 1011 CG2 VAL B 186 1.896 5.968 3.101 1.00 0.00 C ATOM 0 H VAL B 186 3.517 6.439 1.087 1.00 0.00 H new ATOM 0 HA VAL B 186 3.348 3.746 2.276 1.00 0.00 H new ATOM 0 HB VAL B 186 1.329 5.697 1.037 1.00 0.00 H new ATOM 0 HG11 VAL B 186 -0.313 4.508 2.469 1.00 0.00 H new ATOM 0 HG12 VAL B 186 0.461 3.392 1.320 1.00 0.00 H new ATOM 0 HG13 VAL B 186 0.970 3.408 3.025 1.00 0.00 H new ATOM 0 HG21 VAL B 186 0.958 6.451 3.375 1.00 0.00 H new ATOM 0 HG22 VAL B 186 2.245 5.354 3.931 1.00 0.00 H new ATOM 0 HG23 VAL B 186 2.643 6.729 2.874 1.00 0.00 H new ATOM 1021 N GLU B 187 2.931 4.155 -0.929 1.00 0.00 N ATOM 1022 CA GLU B 187 2.779 3.385 -2.201 1.00 0.00 C ATOM 1023 C GLU B 187 4.035 2.550 -2.458 1.00 0.00 C ATOM 1024 O GLU B 187 3.978 1.503 -3.073 1.00 0.00 O ATOM 1025 CB GLU B 187 2.603 4.442 -3.294 1.00 0.00 C ATOM 1026 CG GLU B 187 2.297 3.755 -4.625 1.00 0.00 C ATOM 1027 CD GLU B 187 2.529 4.738 -5.773 1.00 0.00 C ATOM 1028 OE1 GLU B 187 1.983 5.828 -5.714 1.00 0.00 O ATOM 1029 OE2 GLU B 187 3.250 4.386 -6.693 1.00 0.00 O ATOM 0 H GLU B 187 3.124 5.150 -1.046 1.00 0.00 H new ATOM 0 HA GLU B 187 1.935 2.696 -2.169 1.00 0.00 H new ATOM 0 HB2 GLU B 187 1.794 5.122 -3.029 1.00 0.00 H new ATOM 0 HB3 GLU B 187 3.508 5.043 -3.383 1.00 0.00 H new ATOM 0 HG2 GLU B 187 2.933 2.879 -4.749 1.00 0.00 H new ATOM 0 HG3 GLU B 187 1.265 3.404 -4.636 1.00 0.00 H new ATOM 1036 N GLN B 188 5.167 3.007 -1.982 1.00 0.00 N ATOM 1037 CA GLN B 188 6.434 2.243 -2.188 1.00 0.00 C ATOM 1038 C GLN B 188 6.462 1.019 -1.270 1.00 0.00 C ATOM 1039 O GLN B 188 7.064 0.010 -1.586 1.00 0.00 O ATOM 1040 CB GLN B 188 7.556 3.218 -1.820 1.00 0.00 C ATOM 1041 CG GLN B 188 8.892 2.693 -2.354 1.00 0.00 C ATOM 1042 CD GLN B 188 8.857 2.646 -3.884 1.00 0.00 C ATOM 1043 OE1 GLN B 188 9.245 1.661 -4.480 1.00 0.00 O ATOM 1044 NE2 GLN B 188 8.405 3.674 -4.550 1.00 0.00 N ATOM 0 H GLN B 188 5.267 3.877 -1.459 1.00 0.00 H new ATOM 0 HA GLN B 188 6.536 1.879 -3.210 1.00 0.00 H new ATOM 0 HB2 GLN B 188 7.347 4.202 -2.239 1.00 0.00 H new ATOM 0 HB3 GLN B 188 7.607 3.337 -0.738 1.00 0.00 H new ATOM 0 HG2 GLN B 188 9.706 3.336 -2.019 1.00 0.00 H new ATOM 0 HG3 GLN B 188 9.088 1.698 -1.955 1.00 0.00 H new ATOM 0 HE21 GLN B 188 8.079 4.502 -4.051 1.00 0.00 H new ATOM 0 HE22 GLN B 188 8.378 3.649 -5.569 1.00 0.00 H new ATOM 1053 N GLN B 189 5.811 1.104 -0.137 1.00 0.00 N ATOM 1054 CA GLN B 189 5.791 -0.054 0.807 1.00 0.00 C ATOM 1055 C GLN B 189 4.865 -1.149 0.271 1.00 0.00 C ATOM 1056 O GLN B 189 5.138 -2.326 0.408 1.00 0.00 O ATOM 1057 CB GLN B 189 5.252 0.512 2.126 1.00 0.00 C ATOM 1058 CG GLN B 189 6.081 -0.027 3.298 1.00 0.00 C ATOM 1059 CD GLN B 189 7.138 1.005 3.699 1.00 0.00 C ATOM 1060 OE1 GLN B 189 7.387 1.212 4.869 1.00 0.00 O ATOM 1061 NE2 GLN B 189 7.773 1.666 2.771 1.00 0.00 N ATOM 0 H GLN B 189 5.293 1.925 0.175 1.00 0.00 H new ATOM 0 HA GLN B 189 6.776 -0.502 0.934 1.00 0.00 H new ATOM 0 HB2 GLN B 189 5.294 1.601 2.109 1.00 0.00 H new ATOM 0 HB3 GLN B 189 4.205 0.235 2.251 1.00 0.00 H new ATOM 0 HG2 GLN B 189 5.431 -0.245 4.146 1.00 0.00 H new ATOM 0 HG3 GLN B 189 6.562 -0.964 3.016 1.00 0.00 H new ATOM 0 HE21 GLN B 189 7.564 1.493 1.788 1.00 0.00 H new ATOM 0 HE22 GLN B 189 8.478 2.356 3.029 1.00 0.00 H new ATOM 1070 N ILE B 190 3.775 -0.764 -0.345 1.00 0.00 N ATOM 1071 CA ILE B 190 2.827 -1.778 -0.900 1.00 0.00 C ATOM 1072 C ILE B 190 3.444 -2.435 -2.137 1.00 0.00 C ATOM 1073 O ILE B 190 3.205 -3.594 -2.418 1.00 0.00 O ATOM 1074 CB ILE B 190 1.563 -0.994 -1.270 1.00 0.00 C ATOM 1075 CG1 ILE B 190 0.997 -0.322 -0.016 1.00 0.00 C ATOM 1076 CG2 ILE B 190 0.515 -1.949 -1.849 1.00 0.00 C ATOM 1077 CD1 ILE B 190 -0.184 0.574 -0.398 1.00 0.00 C ATOM 0 H ILE B 190 3.501 0.208 -0.487 1.00 0.00 H new ATOM 0 HA ILE B 190 2.604 -2.574 -0.190 1.00 0.00 H new ATOM 0 HB ILE B 190 1.813 -0.236 -2.013 1.00 0.00 H new ATOM 0 HG12 ILE B 190 0.675 -1.079 0.700 1.00 0.00 H new ATOM 0 HG13 ILE B 190 1.772 0.270 0.472 1.00 0.00 H new ATOM 0 HG21 ILE B 190 -0.382 -1.389 -2.111 1.00 0.00 H new ATOM 0 HG22 ILE B 190 0.915 -2.431 -2.741 1.00 0.00 H new ATOM 0 HG23 ILE B 190 0.265 -2.708 -1.108 1.00 0.00 H new ATOM 0 HD11 ILE B 190 -0.584 1.050 0.497 1.00 0.00 H new ATOM 0 HD12 ILE B 190 0.152 1.340 -1.097 1.00 0.00 H new ATOM 0 HD13 ILE B 190 -0.962 -0.029 -0.866 1.00 0.00 H new ATOM 1089 N SER B 191 4.243 -1.702 -2.867 1.00 0.00 N ATOM 1090 CA SER B 191 4.891 -2.277 -4.084 1.00 0.00 C ATOM 1091 C SER B 191 5.966 -3.281 -3.666 1.00 0.00 C ATOM 1092 O SER B 191 6.165 -4.295 -4.310 1.00 0.00 O ATOM 1093 CB SER B 191 5.519 -1.087 -4.811 1.00 0.00 C ATOM 1094 OG SER B 191 4.531 -0.452 -5.612 1.00 0.00 O ATOM 0 H SER B 191 4.476 -0.728 -2.673 1.00 0.00 H new ATOM 0 HA SER B 191 4.183 -2.805 -4.722 1.00 0.00 H new ATOM 0 HB2 SER B 191 5.928 -0.380 -4.089 1.00 0.00 H new ATOM 0 HB3 SER B 191 6.348 -1.423 -5.434 1.00 0.00 H new ATOM 0 HG SER B 191 4.111 0.271 -5.101 1.00 0.00 H new ATOM 1100 N LYS B 192 6.650 -3.007 -2.585 1.00 0.00 N ATOM 1101 CA LYS B 192 7.707 -3.947 -2.107 1.00 0.00 C ATOM 1102 C LYS B 192 7.051 -5.162 -1.450 1.00 0.00 C ATOM 1103 O LYS B 192 7.560 -6.266 -1.514 1.00 0.00 O ATOM 1104 CB LYS B 192 8.522 -3.152 -1.084 1.00 0.00 C ATOM 1105 CG LYS B 192 9.162 -1.941 -1.768 1.00 0.00 C ATOM 1106 CD LYS B 192 10.576 -2.301 -2.226 1.00 0.00 C ATOM 1107 CE LYS B 192 10.986 -1.389 -3.386 1.00 0.00 C ATOM 1108 NZ LYS B 192 12.453 -1.197 -3.223 1.00 0.00 N ATOM 0 H LYS B 192 6.522 -2.172 -2.013 1.00 0.00 H new ATOM 0 HA LYS B 192 8.336 -4.316 -2.917 1.00 0.00 H new ATOM 0 HB2 LYS B 192 7.879 -2.824 -0.267 1.00 0.00 H new ATOM 0 HB3 LYS B 192 9.294 -3.786 -0.647 1.00 0.00 H new ATOM 0 HG2 LYS B 192 8.559 -1.632 -2.622 1.00 0.00 H new ATOM 0 HG3 LYS B 192 9.195 -1.097 -1.079 1.00 0.00 H new ATOM 0 HD2 LYS B 192 11.277 -2.191 -1.398 1.00 0.00 H new ATOM 0 HD3 LYS B 192 10.614 -3.344 -2.539 1.00 0.00 H new ATOM 0 HE2 LYS B 192 10.752 -1.844 -4.348 1.00 0.00 H new ATOM 0 HE3 LYS B 192 10.456 -0.437 -3.346 1.00 0.00 H new ATOM 0 HZ1 LYS B 192 12.809 -0.582 -3.982 1.00 0.00 H new ATOM 0 HZ2 LYS B 192 12.645 -0.756 -2.301 1.00 0.00 H new ATOM 0 HZ3 LYS B 192 12.931 -2.119 -3.272 1.00 0.00 H new ATOM 1122 N LEU B 193 5.917 -4.962 -0.825 1.00 0.00 N ATOM 1123 CA LEU B 193 5.207 -6.099 -0.167 1.00 0.00 C ATOM 1124 C LEU B 193 4.488 -6.959 -1.214 1.00 0.00 C ATOM 1125 O LEU B 193 4.131 -8.091 -0.949 1.00 0.00 O ATOM 1126 CB LEU B 193 4.196 -5.445 0.778 1.00 0.00 C ATOM 1127 CG LEU B 193 4.158 -6.211 2.102 1.00 0.00 C ATOM 1128 CD1 LEU B 193 3.941 -5.228 3.254 1.00 0.00 C ATOM 1129 CD2 LEU B 193 3.010 -7.224 2.073 1.00 0.00 C ATOM 0 H LEU B 193 5.452 -4.058 -0.743 1.00 0.00 H new ATOM 0 HA LEU B 193 5.893 -6.758 0.364 1.00 0.00 H new ATOM 0 HB2 LEU B 193 4.470 -4.405 0.956 1.00 0.00 H new ATOM 0 HB3 LEU B 193 3.207 -5.440 0.321 1.00 0.00 H new ATOM 0 HG LEU B 193 5.103 -6.736 2.245 1.00 0.00 H new ATOM 0 HD11 LEU B 193 3.914 -5.773 4.197 1.00 0.00 H new ATOM 0 HD12 LEU B 193 4.758 -4.506 3.275 1.00 0.00 H new ATOM 0 HD13 LEU B 193 2.997 -4.703 3.111 1.00 0.00 H new ATOM 0 HD21 LEU B 193 2.983 -7.770 3.016 1.00 0.00 H new ATOM 0 HD22 LEU B 193 2.065 -6.699 1.930 1.00 0.00 H new ATOM 0 HD23 LEU B 193 3.164 -7.925 1.252 1.00 0.00 H new ATOM 1141 N LYS B 194 4.280 -6.438 -2.399 1.00 0.00 N ATOM 1142 CA LYS B 194 3.597 -7.237 -3.459 1.00 0.00 C ATOM 1143 C LYS B 194 4.627 -8.098 -4.195 1.00 0.00 C ATOM 1144 O LYS B 194 4.306 -9.145 -4.724 1.00 0.00 O ATOM 1145 CB LYS B 194 2.979 -6.205 -4.402 1.00 0.00 C ATOM 1146 CG LYS B 194 1.824 -6.846 -5.174 1.00 0.00 C ATOM 1147 CD LYS B 194 0.513 -6.607 -4.424 1.00 0.00 C ATOM 1148 CE LYS B 194 -0.668 -6.951 -5.334 1.00 0.00 C ATOM 1149 NZ LYS B 194 -1.715 -5.945 -5.004 1.00 0.00 N ATOM 0 H LYS B 194 4.554 -5.495 -2.676 1.00 0.00 H new ATOM 0 HA LYS B 194 2.842 -7.911 -3.056 1.00 0.00 H new ATOM 0 HB2 LYS B 194 2.619 -5.347 -3.834 1.00 0.00 H new ATOM 0 HB3 LYS B 194 3.733 -5.834 -5.096 1.00 0.00 H new ATOM 0 HG2 LYS B 194 1.764 -6.423 -6.177 1.00 0.00 H new ATOM 0 HG3 LYS B 194 1.999 -7.916 -5.289 1.00 0.00 H new ATOM 0 HD2 LYS B 194 0.481 -7.219 -3.523 1.00 0.00 H new ATOM 0 HD3 LYS B 194 0.449 -5.567 -4.105 1.00 0.00 H new ATOM 0 HE2 LYS B 194 -0.385 -6.896 -6.385 1.00 0.00 H new ATOM 0 HE3 LYS B 194 -1.024 -7.965 -5.152 1.00 0.00 H new ATOM 0 HZ1 LYS B 194 -2.558 -6.116 -5.589 1.00 0.00 H new ATOM 0 HZ2 LYS B 194 -1.969 -6.025 -3.999 1.00 0.00 H new ATOM 0 HZ3 LYS B 194 -1.350 -4.990 -5.193 1.00 0.00 H new ATOM 1163 N LYS B 195 5.863 -7.663 -4.226 1.00 0.00 N ATOM 1164 CA LYS B 195 6.922 -8.453 -4.918 1.00 0.00 C ATOM 1165 C LYS B 195 7.335 -9.645 -4.053 1.00 0.00 C ATOM 1166 O LYS B 195 7.674 -10.698 -4.562 1.00 0.00 O ATOM 1167 CB LYS B 195 8.092 -7.486 -5.098 1.00 0.00 C ATOM 1168 CG LYS B 195 8.781 -7.758 -6.438 1.00 0.00 C ATOM 1169 CD LYS B 195 8.203 -6.829 -7.506 1.00 0.00 C ATOM 1170 CE LYS B 195 8.339 -7.484 -8.882 1.00 0.00 C ATOM 1171 NZ LYS B 195 7.912 -6.437 -9.851 1.00 0.00 N ATOM 0 H LYS B 195 6.182 -6.793 -3.800 1.00 0.00 H new ATOM 0 HA LYS B 195 6.581 -8.854 -5.873 1.00 0.00 H new ATOM 0 HB2 LYS B 195 7.735 -6.457 -5.063 1.00 0.00 H new ATOM 0 HB3 LYS B 195 8.804 -7.604 -4.281 1.00 0.00 H new ATOM 0 HG2 LYS B 195 9.855 -7.599 -6.345 1.00 0.00 H new ATOM 0 HG3 LYS B 195 8.636 -8.798 -6.729 1.00 0.00 H new ATOM 0 HD2 LYS B 195 7.154 -6.621 -7.293 1.00 0.00 H new ATOM 0 HD3 LYS B 195 8.727 -5.873 -7.493 1.00 0.00 H new ATOM 0 HE2 LYS B 195 9.365 -7.800 -9.069 1.00 0.00 H new ATOM 0 HE3 LYS B 195 7.713 -8.373 -8.960 1.00 0.00 H new ATOM 0 HZ1 LYS B 195 7.978 -6.812 -10.819 1.00 0.00 H new ATOM 0 HZ2 LYS B 195 6.929 -6.161 -9.653 1.00 0.00 H new ATOM 0 HZ3 LYS B 195 8.530 -5.606 -9.759 1.00 0.00 H new ATOM 1185 N LYS B 196 7.301 -9.493 -2.750 1.00 0.00 N ATOM 1186 CA LYS B 196 7.684 -10.628 -1.859 1.00 0.00 C ATOM 1187 C LYS B 196 6.610 -11.723 -1.917 1.00 0.00 C ATOM 1188 O LYS B 196 6.883 -12.884 -1.674 1.00 0.00 O ATOM 1189 CB LYS B 196 7.810 -10.022 -0.447 1.00 0.00 C ATOM 1190 CG LYS B 196 6.434 -9.592 0.085 1.00 0.00 C ATOM 1191 CD LYS B 196 5.973 -10.546 1.201 1.00 0.00 C ATOM 1192 CE LYS B 196 4.621 -11.175 0.834 1.00 0.00 C ATOM 1193 NZ LYS B 196 4.821 -12.645 0.981 1.00 0.00 N ATOM 0 H LYS B 196 7.026 -8.636 -2.270 1.00 0.00 H new ATOM 0 HA LYS B 196 8.620 -11.099 -2.160 1.00 0.00 H new ATOM 0 HB2 LYS B 196 8.255 -10.752 0.229 1.00 0.00 H new ATOM 0 HB3 LYS B 196 8.480 -9.163 -0.473 1.00 0.00 H new ATOM 0 HG2 LYS B 196 6.486 -8.572 0.467 1.00 0.00 H new ATOM 0 HG3 LYS B 196 5.706 -9.592 -0.727 1.00 0.00 H new ATOM 0 HD2 LYS B 196 6.717 -11.328 1.352 1.00 0.00 H new ATOM 0 HD3 LYS B 196 5.886 -10.002 2.142 1.00 0.00 H new ATOM 0 HE2 LYS B 196 3.829 -10.818 1.492 1.00 0.00 H new ATOM 0 HE3 LYS B 196 4.330 -10.917 -0.184 1.00 0.00 H new ATOM 0 HZ1 LYS B 196 3.986 -13.147 0.618 1.00 0.00 H new ATOM 0 HZ2 LYS B 196 5.661 -12.937 0.442 1.00 0.00 H new ATOM 0 HZ3 LYS B 196 4.956 -12.878 1.985 1.00 0.00 H new ATOM 1207 N GLN B 197 5.392 -11.359 -2.249 1.00 0.00 N ATOM 1208 CA GLN B 197 4.303 -12.378 -2.337 1.00 0.00 C ATOM 1209 C GLN B 197 4.539 -13.277 -3.551 1.00 0.00 C ATOM 1210 O GLN B 197 4.179 -14.439 -3.555 1.00 0.00 O ATOM 1211 CB GLN B 197 3.010 -11.576 -2.503 1.00 0.00 C ATOM 1212 CG GLN B 197 1.815 -12.533 -2.526 1.00 0.00 C ATOM 1213 CD GLN B 197 1.537 -13.038 -1.109 1.00 0.00 C ATOM 1214 OE1 GLN B 197 2.344 -13.741 -0.534 1.00 0.00 O ATOM 1215 NE2 GLN B 197 0.422 -12.707 -0.519 1.00 0.00 N ATOM 0 H GLN B 197 5.109 -10.402 -2.462 1.00 0.00 H new ATOM 0 HA GLN B 197 4.263 -13.022 -1.458 1.00 0.00 H new ATOM 0 HB2 GLN B 197 2.904 -10.864 -1.685 1.00 0.00 H new ATOM 0 HB3 GLN B 197 3.044 -10.998 -3.426 1.00 0.00 H new ATOM 0 HG2 GLN B 197 0.936 -12.024 -2.921 1.00 0.00 H new ATOM 0 HG3 GLN B 197 2.021 -13.373 -3.189 1.00 0.00 H new ATOM 0 HE21 GLN B 197 -0.255 -12.117 -1.002 1.00 0.00 H new ATOM 0 HE22 GLN B 197 0.227 -13.038 0.426 1.00 0.00 H new ATOM 1224 N GLN B 198 5.153 -12.745 -4.579 1.00 0.00 N ATOM 1225 CA GLN B 198 5.428 -13.563 -5.799 1.00 0.00 C ATOM 1226 C GLN B 198 6.361 -14.719 -5.439 1.00 0.00 C ATOM 1227 O GLN B 198 6.129 -15.855 -5.806 1.00 0.00 O ATOM 1228 CB GLN B 198 6.108 -12.608 -6.795 1.00 0.00 C ATOM 1229 CG GLN B 198 5.280 -12.523 -8.083 1.00 0.00 C ATOM 1230 CD GLN B 198 4.411 -11.264 -8.055 1.00 0.00 C ATOM 1231 OE1 GLN B 198 4.255 -10.597 -9.058 1.00 0.00 O ATOM 1232 NE2 GLN B 198 3.835 -10.908 -6.939 1.00 0.00 N ATOM 0 H GLN B 198 5.476 -11.778 -4.625 1.00 0.00 H new ATOM 0 HA GLN B 198 4.520 -13.994 -6.222 1.00 0.00 H new ATOM 0 HB2 GLN B 198 6.210 -11.618 -6.351 1.00 0.00 H new ATOM 0 HB3 GLN B 198 7.114 -12.961 -7.022 1.00 0.00 H new ATOM 0 HG2 GLN B 198 5.940 -12.502 -8.950 1.00 0.00 H new ATOM 0 HG3 GLN B 198 4.652 -13.408 -8.182 1.00 0.00 H new ATOM 0 HE21 GLN B 198 3.966 -11.468 -6.096 1.00 0.00 H new ATOM 0 HE22 GLN B 198 3.254 -10.070 -6.910 1.00 0.00 H new ATOM 1241 N GLN B 199 7.411 -14.431 -4.716 1.00 0.00 N ATOM 1242 CA GLN B 199 8.368 -15.508 -4.316 1.00 0.00 C ATOM 1243 C GLN B 199 7.651 -16.547 -3.451 1.00 0.00 C ATOM 1244 O GLN B 199 7.909 -17.732 -3.549 1.00 0.00 O ATOM 1245 CB GLN B 199 9.462 -14.801 -3.512 1.00 0.00 C ATOM 1246 CG GLN B 199 10.644 -14.480 -4.428 1.00 0.00 C ATOM 1247 CD GLN B 199 10.303 -13.268 -5.296 1.00 0.00 C ATOM 1248 OE1 GLN B 199 10.193 -12.163 -4.801 1.00 0.00 O ATOM 1249 NE2 GLN B 199 10.132 -13.427 -6.580 1.00 0.00 N ATOM 0 H GLN B 199 7.649 -13.496 -4.384 1.00 0.00 H new ATOM 0 HA GLN B 199 8.780 -16.034 -5.177 1.00 0.00 H new ATOM 0 HB2 GLN B 199 9.070 -13.884 -3.073 1.00 0.00 H new ATOM 0 HB3 GLN B 199 9.789 -15.435 -2.688 1.00 0.00 H new ATOM 0 HG2 GLN B 199 11.534 -14.275 -3.833 1.00 0.00 H new ATOM 0 HG3 GLN B 199 10.873 -15.339 -5.058 1.00 0.00 H new ATOM 0 HE21 GLN B 199 10.224 -14.354 -6.996 1.00 0.00 H new ATOM 0 HE22 GLN B 199 9.906 -12.624 -7.168 1.00 0.00 H new ATOM 1258 N LEU B 200 6.747 -16.109 -2.612 1.00 0.00 N ATOM 1259 CA LEU B 200 5.999 -17.066 -1.744 1.00 0.00 C ATOM 1260 C LEU B 200 4.947 -17.801 -2.576 1.00 0.00 C ATOM 1261 O LEU B 200 4.681 -18.970 -2.365 1.00 0.00 O ATOM 1262 CB LEU B 200 5.333 -16.202 -0.672 1.00 0.00 C ATOM 1263 CG LEU B 200 4.679 -17.102 0.379 1.00 0.00 C ATOM 1264 CD1 LEU B 200 5.759 -17.702 1.281 1.00 0.00 C ATOM 1265 CD2 LEU B 200 3.711 -16.273 1.227 1.00 0.00 C ATOM 0 H LEU B 200 6.495 -15.128 -2.491 1.00 0.00 H new ATOM 0 HA LEU B 200 6.648 -17.822 -1.302 1.00 0.00 H new ATOM 0 HB2 LEU B 200 6.073 -15.554 -0.201 1.00 0.00 H new ATOM 0 HB3 LEU B 200 4.584 -15.553 -1.127 1.00 0.00 H new ATOM 0 HG LEU B 200 4.134 -17.904 -0.118 1.00 0.00 H new ATOM 0 HD11 LEU B 200 5.293 -18.343 2.030 1.00 0.00 H new ATOM 0 HD12 LEU B 200 6.450 -18.291 0.678 1.00 0.00 H new ATOM 0 HD13 LEU B 200 6.304 -16.900 1.779 1.00 0.00 H new ATOM 0 HD21 LEU B 200 3.244 -16.913 1.976 1.00 0.00 H new ATOM 0 HD22 LEU B 200 4.257 -15.471 1.724 1.00 0.00 H new ATOM 0 HD23 LEU B 200 2.941 -15.844 0.586 1.00 0.00 H new ATOM 1277 N GLU B 201 4.359 -17.124 -3.529 1.00 0.00 N ATOM 1278 CA GLU B 201 3.330 -17.777 -4.392 1.00 0.00 C ATOM 1279 C GLU B 201 4.018 -18.655 -5.437 1.00 0.00 C ATOM 1280 O GLU B 201 3.488 -19.665 -5.859 1.00 0.00 O ATOM 1281 CB GLU B 201 2.578 -16.627 -5.064 1.00 0.00 C ATOM 1282 CG GLU B 201 1.310 -16.311 -4.269 1.00 0.00 C ATOM 1283 CD GLU B 201 0.629 -15.076 -4.863 1.00 0.00 C ATOM 1284 OE1 GLU B 201 0.616 -14.958 -6.077 1.00 0.00 O ATOM 1285 OE2 GLU B 201 0.133 -14.270 -4.094 1.00 0.00 O ATOM 0 H GLU B 201 4.548 -16.146 -3.747 1.00 0.00 H new ATOM 0 HA GLU B 201 2.655 -18.417 -3.824 1.00 0.00 H new ATOM 0 HB2 GLU B 201 3.215 -15.744 -5.118 1.00 0.00 H new ATOM 0 HB3 GLU B 201 2.320 -16.897 -6.088 1.00 0.00 H new ATOM 0 HG2 GLU B 201 0.630 -17.162 -4.295 1.00 0.00 H new ATOM 0 HG3 GLU B 201 1.559 -16.134 -3.223 1.00 0.00 H new