USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=11 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 Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.1) USER MOD Single : A 68 GLN : amide:sc= -0.115 X(o=-0.11,f=-0.12) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 162:sc= -0.125 (180deg=-0.696) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ -117:sc=-0.00549 (180deg=-0.281) USER MOD Single : A 84 HIS : no HD1:sc= -0.239 X(o=-0.24,f=-0.038) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 GLN : amide:sc= -0.223 K(o=-0.22,f=-0.88) USER MOD Single : B 168 SER OG : rot 130:sc= -1.36! USER MOD Single : B 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 174 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 175 ASN : amide:sc= -0.0217 K(o=-0.022,f=-1.4!) USER MOD Single : B 176 MET CE :methyl 158:sc= -5.2! (180deg=-7.97!) USER MOD Single : B 184 THR OG1 : rot 90:sc= 1.21 USER MOD Single : B 185 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 188 GLN : amide:sc= -0.56 K(o=-0.56,f=0) USER MOD Single : B 189 GLN : amide:sc= -0.37 X(o=-0.37,f=0) USER MOD Single : B 191 SER OG : rot 119:sc= 0.337 USER MOD Single : B 192 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 194 LYS NZ :NH3+ -132:sc= -0.0131 (180deg=-0.122) USER MOD Single : B 195 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.00849) USER MOD Single : B 196 LYS NZ :NH3+ 152:sc= -0.234 (180deg=-1.58!) USER MOD Single : B 197 GLN : amide:sc= -7.02! C(o=-7!,f=-8.2!) USER MOD Single : B 198 GLN : amide:sc= -0.426 X(o=-0.43,f=-0.11) USER MOD Single : B 199 GLN : amide:sc= -0.539 K(o=-0.54,f=0) USER MOD ----------------------------------------------------------------- ATOM 161 N LEU A 62 0.892 -18.295 3.104 1.00 0.00 N ATOM 162 CA LEU A 62 0.538 -17.285 2.062 1.00 0.00 C ATOM 163 C LEU A 62 -0.887 -16.775 2.293 1.00 0.00 C ATOM 164 O LEU A 62 -1.211 -15.649 1.967 1.00 0.00 O ATOM 165 CB LEU A 62 0.632 -18.030 0.728 1.00 0.00 C ATOM 166 CG LEU A 62 0.748 -17.018 -0.414 1.00 0.00 C ATOM 167 CD1 LEU A 62 1.619 -17.602 -1.528 1.00 0.00 C ATOM 168 CD2 LEU A 62 -0.646 -16.713 -0.966 1.00 0.00 C ATOM 0 HA LEU A 62 1.199 -16.418 2.086 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.497 -18.693 0.730 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.249 -18.656 0.586 1.00 0.00 H new ATOM 0 HG LEU A 62 1.202 -16.100 -0.041 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.701 -16.881 -2.341 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.612 -17.822 -1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.165 -18.520 -1.902 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.565 -15.992 -1.780 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.099 -17.632 -1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.268 -16.297 -0.173 1.00 0.00 H new ATOM 180 N GLU A 63 -1.735 -17.599 2.856 1.00 0.00 N ATOM 181 CA GLU A 63 -3.141 -17.166 3.117 1.00 0.00 C ATOM 182 C GLU A 63 -3.155 -16.015 4.122 1.00 0.00 C ATOM 183 O GLU A 63 -3.873 -15.046 3.959 1.00 0.00 O ATOM 184 CB GLU A 63 -3.845 -18.396 3.696 1.00 0.00 C ATOM 185 CG GLU A 63 -4.459 -19.216 2.560 1.00 0.00 C ATOM 186 CD GLU A 63 -5.549 -20.130 3.120 1.00 0.00 C ATOM 187 OE1 GLU A 63 -6.581 -19.613 3.518 1.00 0.00 O ATOM 188 OE2 GLU A 63 -5.337 -21.331 3.142 1.00 0.00 O ATOM 0 H GLU A 63 -1.514 -18.552 3.146 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.636 -16.809 2.214 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.135 -19.005 4.255 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.621 -18.088 4.396 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.879 -18.552 1.805 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.688 -19.810 2.069 1.00 0.00 H new ATOM 195 N GLU A 64 -2.358 -16.114 5.153 1.00 0.00 N ATOM 196 CA GLU A 64 -2.309 -15.022 6.172 1.00 0.00 C ATOM 197 C GLU A 64 -1.602 -13.801 5.583 1.00 0.00 C ATOM 198 O GLU A 64 -1.900 -12.673 5.929 1.00 0.00 O ATOM 199 CB GLU A 64 -1.511 -15.597 7.344 1.00 0.00 C ATOM 200 CG GLU A 64 -1.476 -14.579 8.486 1.00 0.00 C ATOM 201 CD GLU A 64 -0.782 -15.199 9.701 1.00 0.00 C ATOM 202 OE1 GLU A 64 -1.356 -16.099 10.291 1.00 0.00 O ATOM 203 OE2 GLU A 64 0.311 -14.762 10.020 1.00 0.00 O ATOM 0 H GLU A 64 -1.738 -16.904 5.334 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.302 -14.701 6.486 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.965 -16.527 7.686 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.497 -15.836 7.025 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.946 -13.680 8.170 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.490 -14.276 8.748 1.00 0.00 H new ATOM 210 N THR A 65 -0.674 -14.025 4.689 1.00 0.00 N ATOM 211 CA THR A 65 0.056 -12.884 4.058 1.00 0.00 C ATOM 212 C THR A 65 -0.860 -12.171 3.060 1.00 0.00 C ATOM 213 O THR A 65 -0.723 -10.987 2.816 1.00 0.00 O ATOM 214 CB THR A 65 1.247 -13.517 3.336 1.00 0.00 C ATOM 215 OG1 THR A 65 2.018 -14.266 4.267 1.00 0.00 O ATOM 216 CG2 THR A 65 2.115 -12.420 2.719 1.00 0.00 C ATOM 0 H THR A 65 -0.389 -14.950 4.368 1.00 0.00 H new ATOM 0 HA THR A 65 0.377 -12.142 4.789 1.00 0.00 H new ATOM 0 HB THR A 65 0.885 -14.177 2.547 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.781 -14.674 3.807 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.963 -12.873 2.205 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.523 -11.846 2.006 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.478 -11.758 3.505 1.00 0.00 H new ATOM 224 N LYS A 66 -1.795 -12.885 2.483 1.00 0.00 N ATOM 225 CA LYS A 66 -2.728 -12.255 1.500 1.00 0.00 C ATOM 226 C LYS A 66 -3.718 -11.334 2.219 1.00 0.00 C ATOM 227 O LYS A 66 -4.229 -10.393 1.643 1.00 0.00 O ATOM 228 CB LYS A 66 -3.468 -13.423 0.841 1.00 0.00 C ATOM 229 CG LYS A 66 -2.680 -13.907 -0.378 1.00 0.00 C ATOM 230 CD LYS A 66 -2.784 -12.872 -1.500 1.00 0.00 C ATOM 231 CE LYS A 66 -2.266 -13.481 -2.805 1.00 0.00 C ATOM 232 NZ LYS A 66 -3.417 -14.251 -3.352 1.00 0.00 N ATOM 0 H LYS A 66 -1.952 -13.879 2.651 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.198 -11.644 0.769 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.591 -14.238 1.554 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.468 -13.110 0.540 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.635 -14.064 -0.110 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.069 -14.867 -0.718 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.819 -12.553 -1.621 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.205 -11.984 -1.245 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.942 -12.707 -3.501 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.407 -14.128 -2.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.073 -15.140 -3.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.087 -14.464 -2.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.895 -13.687 -4.084 1.00 0.00 H new ATOM 246 N GLU A 67 -3.994 -11.603 3.472 1.00 0.00 N ATOM 247 CA GLU A 67 -4.956 -10.745 4.231 1.00 0.00 C ATOM 248 C GLU A 67 -4.303 -9.412 4.605 1.00 0.00 C ATOM 249 O GLU A 67 -4.963 -8.391 4.681 1.00 0.00 O ATOM 250 CB GLU A 67 -5.304 -11.544 5.488 1.00 0.00 C ATOM 251 CG GLU A 67 -6.584 -10.982 6.112 1.00 0.00 C ATOM 252 CD GLU A 67 -6.525 -11.142 7.632 1.00 0.00 C ATOM 253 OE1 GLU A 67 -6.068 -12.179 8.082 1.00 0.00 O ATOM 254 OE2 GLU A 67 -6.936 -10.222 8.321 1.00 0.00 O ATOM 0 H GLU A 67 -3.595 -12.379 4.001 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.843 -10.508 3.643 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.441 -12.596 5.237 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.484 -11.491 6.204 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.697 -9.930 5.851 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.454 -11.504 5.714 1.00 0.00 H new ATOM 261 N GLN A 68 -3.016 -9.415 4.834 1.00 0.00 N ATOM 262 CA GLN A 68 -2.315 -8.146 5.200 1.00 0.00 C ATOM 263 C GLN A 68 -2.128 -7.281 3.955 1.00 0.00 C ATOM 264 O GLN A 68 -2.188 -6.066 4.017 1.00 0.00 O ATOM 265 CB GLN A 68 -0.962 -8.582 5.767 1.00 0.00 C ATOM 266 CG GLN A 68 -0.182 -7.350 6.232 1.00 0.00 C ATOM 267 CD GLN A 68 -0.904 -6.705 7.417 1.00 0.00 C ATOM 268 OE1 GLN A 68 -1.107 -7.336 8.436 1.00 0.00 O ATOM 269 NE2 GLN A 68 -1.301 -5.465 7.328 1.00 0.00 N ATOM 0 H GLN A 68 -2.419 -10.240 4.784 1.00 0.00 H new ATOM 0 HA GLN A 68 -2.877 -7.553 5.921 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -1.109 -9.268 6.601 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.394 -9.120 5.008 1.00 0.00 H new ATOM 0 HG2 GLN A 68 0.830 -7.635 6.520 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -0.091 -6.634 5.415 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -1.131 -4.935 6.473 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -1.781 -5.026 8.113 1.00 0.00 H new ATOM 278 N ILE A 69 -1.911 -7.900 2.825 1.00 0.00 N ATOM 279 CA ILE A 69 -1.729 -7.122 1.563 1.00 0.00 C ATOM 280 C ILE A 69 -3.070 -6.518 1.131 1.00 0.00 C ATOM 281 O ILE A 69 -3.115 -5.504 0.461 1.00 0.00 O ATOM 282 CB ILE A 69 -1.228 -8.135 0.526 1.00 0.00 C ATOM 283 CG1 ILE A 69 0.090 -8.751 1.008 1.00 0.00 C ATOM 284 CG2 ILE A 69 -0.991 -7.428 -0.811 1.00 0.00 C ATOM 285 CD1 ILE A 69 0.392 -10.013 0.198 1.00 0.00 C ATOM 0 H ILE A 69 -1.852 -8.913 2.721 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.027 -6.297 1.681 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.976 -8.918 0.399 1.00 0.00 H new ATOM 0 HG12 ILE A 69 0.902 -8.032 0.896 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.023 -8.994 2.068 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.635 -8.150 -1.546 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.924 -6.986 -1.159 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.245 -6.644 -0.681 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.329 -10.450 0.542 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.415 -10.733 0.332 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.477 -9.756 -0.858 1.00 0.00 H new ATOM 297 N LEU A 70 -4.163 -7.132 1.519 1.00 0.00 N ATOM 298 CA LEU A 70 -5.504 -6.593 1.140 1.00 0.00 C ATOM 299 C LEU A 70 -5.786 -5.303 1.915 1.00 0.00 C ATOM 300 O LEU A 70 -6.309 -4.348 1.373 1.00 0.00 O ATOM 301 CB LEU A 70 -6.506 -7.683 1.529 1.00 0.00 C ATOM 302 CG LEU A 70 -7.664 -7.691 0.531 1.00 0.00 C ATOM 303 CD1 LEU A 70 -8.517 -8.943 0.746 1.00 0.00 C ATOM 304 CD2 LEU A 70 -8.526 -6.445 0.743 1.00 0.00 C ATOM 0 H LEU A 70 -4.182 -7.983 2.082 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.566 -6.352 0.079 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.015 -8.656 1.540 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.881 -7.504 2.536 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.268 -7.693 -0.485 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.342 -8.948 0.034 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.903 -9.831 0.596 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.914 -8.943 1.761 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.352 -6.449 0.032 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -8.921 -6.445 1.759 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.919 -5.552 0.589 1.00 0.00 H new ATOM 316 N LYS A 71 -5.435 -5.268 3.178 1.00 0.00 N ATOM 317 CA LYS A 71 -5.675 -4.034 3.989 1.00 0.00 C ATOM 318 C LYS A 71 -4.872 -2.871 3.407 1.00 0.00 C ATOM 319 O LYS A 71 -5.278 -1.725 3.482 1.00 0.00 O ATOM 320 CB LYS A 71 -5.185 -4.372 5.398 1.00 0.00 C ATOM 321 CG LYS A 71 -5.631 -3.279 6.370 1.00 0.00 C ATOM 322 CD LYS A 71 -7.079 -3.530 6.794 1.00 0.00 C ATOM 323 CE LYS A 71 -7.098 -4.327 8.101 1.00 0.00 C ATOM 324 NZ LYS A 71 -8.352 -3.909 8.786 1.00 0.00 N ATOM 0 H LYS A 71 -4.994 -6.038 3.681 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.724 -3.737 3.991 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.584 -5.337 5.711 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -4.098 -4.459 5.405 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.981 -3.269 7.245 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.544 -2.300 5.898 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.600 -2.582 6.926 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.608 -4.078 6.014 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -7.091 -5.400 7.910 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.222 -4.106 8.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.437 -4.413 9.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.327 -2.884 8.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.169 -4.138 8.184 1.00 0.00 H new ATOM 338 N LEU A 72 -3.737 -3.162 2.824 1.00 0.00 N ATOM 339 CA LEU A 72 -2.899 -2.080 2.226 1.00 0.00 C ATOM 340 C LEU A 72 -3.663 -1.397 1.089 1.00 0.00 C ATOM 341 O LEU A 72 -3.471 -0.227 0.818 1.00 0.00 O ATOM 342 CB LEU A 72 -1.653 -2.787 1.688 1.00 0.00 C ATOM 343 CG LEU A 72 -0.573 -2.811 2.771 1.00 0.00 C ATOM 344 CD1 LEU A 72 0.569 -3.731 2.334 1.00 0.00 C ATOM 345 CD2 LEU A 72 -0.032 -1.393 2.988 1.00 0.00 C ATOM 0 H LEU A 72 -3.354 -4.103 2.736 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.642 -1.307 2.950 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.901 -3.804 1.384 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.283 -2.271 0.802 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.002 -3.182 3.702 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.338 -3.748 3.106 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.186 -4.740 2.182 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.998 -3.361 1.402 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.737 -1.411 3.760 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.396 -1.021 2.057 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.845 -0.738 3.301 1.00 0.00 H new ATOM 357 N GLU A 73 -4.530 -2.122 0.427 1.00 0.00 N ATOM 358 CA GLU A 73 -5.315 -1.518 -0.694 1.00 0.00 C ATOM 359 C GLU A 73 -6.268 -0.457 -0.147 1.00 0.00 C ATOM 360 O GLU A 73 -6.454 0.588 -0.742 1.00 0.00 O ATOM 361 CB GLU A 73 -6.098 -2.678 -1.313 1.00 0.00 C ATOM 362 CG GLU A 73 -6.258 -2.441 -2.816 1.00 0.00 C ATOM 363 CD GLU A 73 -4.987 -2.884 -3.542 1.00 0.00 C ATOM 364 OE1 GLU A 73 -4.047 -2.106 -3.576 1.00 0.00 O ATOM 365 OE2 GLU A 73 -4.974 -3.992 -4.051 1.00 0.00 O ATOM 0 H GLU A 73 -4.728 -3.105 0.614 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.676 -1.029 -1.429 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -5.576 -3.618 -1.136 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.077 -2.763 -0.841 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -7.117 -2.996 -3.193 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.451 -1.386 -3.010 1.00 0.00 H new ATOM 372 N GLU A 74 -6.862 -0.715 0.988 1.00 0.00 N ATOM 373 CA GLU A 74 -7.798 0.281 1.592 1.00 0.00 C ATOM 374 C GLU A 74 -6.999 1.457 2.156 1.00 0.00 C ATOM 375 O GLU A 74 -7.468 2.579 2.191 1.00 0.00 O ATOM 376 CB GLU A 74 -8.521 -0.468 2.717 1.00 0.00 C ATOM 377 CG GLU A 74 -9.949 -0.804 2.279 1.00 0.00 C ATOM 378 CD GLU A 74 -9.907 -1.810 1.128 1.00 0.00 C ATOM 379 OE1 GLU A 74 -9.805 -1.377 -0.009 1.00 0.00 O ATOM 380 OE2 GLU A 74 -9.978 -2.997 1.402 1.00 0.00 O ATOM 0 H GLU A 74 -6.740 -1.574 1.525 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.503 0.683 0.865 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.981 -1.382 2.964 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.541 0.143 3.619 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.510 -1.218 3.117 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.467 0.102 1.965 1.00 0.00 H new ATOM 387 N LYS A 75 -5.792 1.203 2.592 1.00 0.00 N ATOM 388 CA LYS A 75 -4.945 2.297 3.152 1.00 0.00 C ATOM 389 C LYS A 75 -4.465 3.214 2.024 1.00 0.00 C ATOM 390 O LYS A 75 -4.250 4.394 2.225 1.00 0.00 O ATOM 391 CB LYS A 75 -3.760 1.588 3.810 1.00 0.00 C ATOM 392 CG LYS A 75 -2.918 2.608 4.582 1.00 0.00 C ATOM 393 CD LYS A 75 -2.356 1.955 5.849 1.00 0.00 C ATOM 394 CE LYS A 75 -3.265 2.276 7.039 1.00 0.00 C ATOM 395 NZ LYS A 75 -4.226 1.140 7.108 1.00 0.00 N ATOM 0 H LYS A 75 -5.356 0.281 2.584 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.488 2.920 3.863 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.117 0.810 4.485 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.150 1.097 3.052 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.103 2.971 3.956 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.527 3.473 4.846 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -2.285 0.876 5.713 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.347 2.319 6.041 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.691 2.364 7.961 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -3.784 3.224 6.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.673 1.120 8.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.958 1.260 6.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.719 0.246 6.946 1.00 0.00 H new ATOM 409 N LEU A 76 -4.302 2.678 0.840 1.00 0.00 N ATOM 410 CA LEU A 76 -3.840 3.518 -0.307 1.00 0.00 C ATOM 411 C LEU A 76 -4.979 4.419 -0.784 1.00 0.00 C ATOM 412 O LEU A 76 -4.760 5.537 -1.213 1.00 0.00 O ATOM 413 CB LEU A 76 -3.443 2.526 -1.402 1.00 0.00 C ATOM 414 CG LEU A 76 -2.872 3.289 -2.598 1.00 0.00 C ATOM 415 CD1 LEU A 76 -1.475 3.807 -2.253 1.00 0.00 C ATOM 416 CD2 LEU A 76 -2.782 2.351 -3.804 1.00 0.00 C ATOM 0 H LEU A 76 -4.469 1.696 0.619 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.008 4.168 -0.034 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.704 1.822 -1.019 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.310 1.942 -1.710 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.523 4.130 -2.837 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.068 4.351 -3.105 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.536 4.474 -1.393 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.824 2.966 -2.015 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.375 2.894 -4.657 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.130 1.511 -3.564 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.777 1.979 -4.051 1.00 0.00 H new ATOM 428 N LEU A 77 -6.193 3.941 -0.702 1.00 0.00 N ATOM 429 CA LEU A 77 -7.358 4.766 -1.140 1.00 0.00 C ATOM 430 C LEU A 77 -7.634 5.856 -0.104 1.00 0.00 C ATOM 431 O LEU A 77 -8.053 6.949 -0.435 1.00 0.00 O ATOM 432 CB LEU A 77 -8.537 3.793 -1.225 1.00 0.00 C ATOM 433 CG LEU A 77 -8.762 3.383 -2.681 1.00 0.00 C ATOM 434 CD1 LEU A 77 -9.706 2.182 -2.734 1.00 0.00 C ATOM 435 CD2 LEU A 77 -9.384 4.553 -3.448 1.00 0.00 C ATOM 0 H LEU A 77 -6.429 3.013 -0.350 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.180 5.261 -2.095 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.338 2.912 -0.615 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.437 4.261 -0.825 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.808 3.115 -3.134 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -9.866 1.890 -3.772 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.266 1.349 -2.187 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -10.661 2.449 -2.281 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -9.545 4.263 -4.486 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.338 4.820 -2.993 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.712 5.410 -3.411 1.00 0.00 H new ATOM 447 N ALA A 78 -7.390 5.563 1.147 1.00 0.00 N ATOM 448 CA ALA A 78 -7.624 6.579 2.217 1.00 0.00 C ATOM 449 C ALA A 78 -6.587 7.699 2.101 1.00 0.00 C ATOM 450 O ALA A 78 -6.845 8.834 2.456 1.00 0.00 O ATOM 451 CB ALA A 78 -7.457 5.825 3.536 1.00 0.00 C ATOM 0 H ALA A 78 -7.038 4.663 1.474 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.609 7.040 2.143 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.615 6.510 4.369 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -8.186 5.016 3.588 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -6.451 5.410 3.593 1.00 0.00 H new ATOM 457 N LEU A 79 -5.418 7.384 1.602 1.00 0.00 N ATOM 458 CA LEU A 79 -4.357 8.427 1.453 1.00 0.00 C ATOM 459 C LEU A 79 -4.764 9.429 0.371 1.00 0.00 C ATOM 460 O LEU A 79 -4.608 10.626 0.532 1.00 0.00 O ATOM 461 CB LEU A 79 -3.087 7.663 1.038 1.00 0.00 C ATOM 462 CG LEU A 79 -2.062 7.663 2.183 1.00 0.00 C ATOM 463 CD1 LEU A 79 -1.649 9.101 2.519 1.00 0.00 C ATOM 464 CD2 LEU A 79 -2.669 6.998 3.425 1.00 0.00 C ATOM 0 H LEU A 79 -5.152 6.449 1.291 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.199 8.992 2.372 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.343 6.638 0.771 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.651 8.124 0.152 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.181 7.103 1.868 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.922 9.090 3.332 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.203 9.566 1.640 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.527 9.670 2.825 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.938 7.001 4.233 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.556 7.550 3.736 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.945 5.970 3.189 1.00 0.00 H new ATOM 476 N GLN A 80 -5.291 8.950 -0.728 1.00 0.00 N ATOM 477 CA GLN A 80 -5.721 9.875 -1.822 1.00 0.00 C ATOM 478 C GLN A 80 -6.887 10.740 -1.343 1.00 0.00 C ATOM 479 O GLN A 80 -7.065 11.859 -1.786 1.00 0.00 O ATOM 480 CB GLN A 80 -6.162 8.967 -2.971 1.00 0.00 C ATOM 481 CG GLN A 80 -4.998 8.770 -3.944 1.00 0.00 C ATOM 482 CD GLN A 80 -5.174 7.447 -4.691 1.00 0.00 C ATOM 483 OE1 GLN A 80 -6.104 7.287 -5.456 1.00 0.00 O ATOM 484 NE2 GLN A 80 -4.314 6.485 -4.500 1.00 0.00 N ATOM 0 H GLN A 80 -5.442 7.959 -0.915 1.00 0.00 H new ATOM 0 HA GLN A 80 -4.923 10.551 -2.129 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -6.491 8.004 -2.581 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -7.013 9.408 -3.490 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -4.959 9.597 -4.653 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -4.053 8.770 -3.401 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -3.533 6.619 -3.858 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -4.422 5.599 -4.993 1.00 0.00 H new ATOM 493 N GLU A 81 -7.678 10.227 -0.434 1.00 0.00 N ATOM 494 CA GLU A 81 -8.837 11.014 0.090 1.00 0.00 C ATOM 495 C GLU A 81 -8.335 12.198 0.919 1.00 0.00 C ATOM 496 O GLU A 81 -8.988 13.221 1.013 1.00 0.00 O ATOM 497 CB GLU A 81 -9.621 10.038 0.968 1.00 0.00 C ATOM 498 CG GLU A 81 -11.015 10.605 1.246 1.00 0.00 C ATOM 499 CD GLU A 81 -10.923 11.671 2.339 1.00 0.00 C ATOM 500 OE1 GLU A 81 -10.171 11.468 3.277 1.00 0.00 O ATOM 501 OE2 GLU A 81 -11.608 12.674 2.220 1.00 0.00 O ATOM 0 H GLU A 81 -7.571 9.296 -0.031 1.00 0.00 H new ATOM 0 HA GLU A 81 -9.454 11.422 -0.710 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.703 9.071 0.471 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -9.092 9.871 1.906 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.432 11.037 0.336 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -11.689 9.807 1.557 1.00 0.00 H new ATOM 508 N GLU A 82 -7.178 12.066 1.518 1.00 0.00 N ATOM 509 CA GLU A 82 -6.625 13.183 2.344 1.00 0.00 C ATOM 510 C GLU A 82 -6.202 14.342 1.436 1.00 0.00 C ATOM 511 O GLU A 82 -6.503 15.491 1.703 1.00 0.00 O ATOM 512 CB GLU A 82 -5.408 12.591 3.074 1.00 0.00 C ATOM 513 CG GLU A 82 -5.599 12.721 4.588 1.00 0.00 C ATOM 514 CD GLU A 82 -5.230 14.139 5.031 1.00 0.00 C ATOM 515 OE1 GLU A 82 -4.092 14.525 4.824 1.00 0.00 O ATOM 516 OE2 GLU A 82 -6.093 14.813 5.568 1.00 0.00 O ATOM 0 H GLU A 82 -6.592 11.232 1.471 1.00 0.00 H new ATOM 0 HA GLU A 82 -7.358 13.577 3.048 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.284 11.543 2.802 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.500 13.110 2.767 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.633 12.503 4.854 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.976 11.993 5.107 1.00 0.00 H new ATOM 523 N LYS A 83 -5.511 14.047 0.363 1.00 0.00 N ATOM 524 CA LYS A 83 -5.072 15.131 -0.570 1.00 0.00 C ATOM 525 C LYS A 83 -6.293 15.811 -1.191 1.00 0.00 C ATOM 526 O LYS A 83 -6.261 16.981 -1.523 1.00 0.00 O ATOM 527 CB LYS A 83 -4.241 14.429 -1.647 1.00 0.00 C ATOM 528 CG LYS A 83 -3.677 15.469 -2.616 1.00 0.00 C ATOM 529 CD LYS A 83 -2.328 14.986 -3.154 1.00 0.00 C ATOM 530 CE LYS A 83 -1.879 15.896 -4.300 1.00 0.00 C ATOM 531 NZ LYS A 83 -2.658 15.436 -5.483 1.00 0.00 N ATOM 0 H LYS A 83 -5.232 13.104 0.093 1.00 0.00 H new ATOM 0 HA LYS A 83 -4.497 15.905 -0.061 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.428 13.868 -1.186 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -4.858 13.711 -2.187 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -4.373 15.629 -3.440 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -3.557 16.427 -2.109 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.584 14.992 -2.358 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -2.412 13.957 -3.504 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -2.083 16.943 -4.076 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.807 15.810 -4.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -2.006 15.075 -6.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -3.311 14.679 -5.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -3.202 16.233 -5.872 1.00 0.00 H new ATOM 545 N HIS A 84 -7.370 15.084 -1.345 1.00 0.00 N ATOM 546 CA HIS A 84 -8.604 15.681 -1.940 1.00 0.00 C ATOM 547 C HIS A 84 -9.187 16.729 -0.990 1.00 0.00 C ATOM 548 O HIS A 84 -9.814 17.683 -1.414 1.00 0.00 O ATOM 549 CB HIS A 84 -9.578 14.513 -2.112 1.00 0.00 C ATOM 550 CG HIS A 84 -10.415 14.734 -3.341 1.00 0.00 C ATOM 551 ND1 HIS A 84 -11.786 14.523 -3.351 1.00 0.00 N ATOM 552 CD2 HIS A 84 -10.091 15.149 -4.609 1.00 0.00 C ATOM 553 CE1 HIS A 84 -12.231 14.807 -4.589 1.00 0.00 C ATOM 554 NE2 HIS A 84 -11.239 15.194 -5.395 1.00 0.00 N ATOM 0 H HIS A 84 -7.448 14.101 -1.084 1.00 0.00 H new ATOM 0 HA HIS A 84 -8.404 16.180 -2.888 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -9.027 13.576 -2.198 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -10.218 14.427 -1.234 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -9.096 15.402 -4.946 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -13.264 14.731 -4.894 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -11.308 15.465 -6.376 1.00 0.00 H new ATOM 562 N GLN A 85 -8.981 16.560 0.292 1.00 0.00 N ATOM 563 CA GLN A 85 -9.519 17.546 1.279 1.00 0.00 C ATOM 564 C GLN A 85 -8.836 18.903 1.087 1.00 0.00 C ATOM 565 O GLN A 85 -9.452 19.943 1.234 1.00 0.00 O ATOM 566 CB GLN A 85 -9.184 16.967 2.656 1.00 0.00 C ATOM 567 CG GLN A 85 -10.305 17.304 3.650 1.00 0.00 C ATOM 568 CD GLN A 85 -9.707 17.897 4.929 1.00 0.00 C ATOM 569 OE1 GLN A 85 -9.659 17.242 5.952 1.00 0.00 O ATOM 570 NE2 GLN A 85 -9.246 19.118 4.913 1.00 0.00 N ATOM 0 H GLN A 85 -8.463 15.781 0.698 1.00 0.00 H new ATOM 0 HA GLN A 85 -10.591 17.704 1.160 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -9.061 15.886 2.586 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.237 17.373 3.011 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -11.000 18.013 3.201 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.875 16.406 3.887 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -9.286 19.667 4.054 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -8.845 19.523 5.759 1.00 0.00 H new ATOM 579 N LEU A 86 -7.570 18.896 0.757 1.00 0.00 N ATOM 580 CA LEU A 86 -6.839 20.185 0.549 1.00 0.00 C ATOM 581 C LEU A 86 -7.431 20.935 -0.645 1.00 0.00 C ATOM 582 O LEU A 86 -7.487 22.149 -0.661 1.00 0.00 O ATOM 583 CB LEU A 86 -5.388 19.785 0.264 1.00 0.00 C ATOM 584 CG LEU A 86 -4.550 19.946 1.535 1.00 0.00 C ATOM 585 CD1 LEU A 86 -3.353 18.996 1.481 1.00 0.00 C ATOM 586 CD2 LEU A 86 -4.050 21.390 1.634 1.00 0.00 C ATOM 0 H LEU A 86 -7.010 18.054 0.622 1.00 0.00 H new ATOM 0 HA LEU A 86 -6.914 20.845 1.413 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.347 18.752 -0.082 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.979 20.405 -0.534 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.161 19.710 2.406 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.756 19.111 2.386 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.707 17.968 1.408 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.741 19.231 0.610 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.453 21.507 2.538 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.438 21.624 0.763 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.902 22.068 1.672 1.00 0.00 H new ATOM 598 N PHE A 87 -7.875 20.214 -1.644 1.00 0.00 N ATOM 599 CA PHE A 87 -8.470 20.877 -2.847 1.00 0.00 C ATOM 600 C PHE A 87 -9.768 21.598 -2.470 1.00 0.00 C ATOM 601 O PHE A 87 -10.159 22.557 -3.108 1.00 0.00 O ATOM 602 CB PHE A 87 -8.757 19.740 -3.833 1.00 0.00 C ATOM 603 CG PHE A 87 -7.549 19.520 -4.711 1.00 0.00 C ATOM 604 CD1 PHE A 87 -7.324 20.354 -5.813 1.00 0.00 C ATOM 605 CD2 PHE A 87 -6.655 18.482 -4.426 1.00 0.00 C ATOM 606 CE1 PHE A 87 -6.205 20.151 -6.628 1.00 0.00 C ATOM 607 CE2 PHE A 87 -5.535 18.278 -5.241 1.00 0.00 C ATOM 608 CZ PHE A 87 -5.310 19.112 -6.342 1.00 0.00 C ATOM 0 H PHE A 87 -7.852 19.195 -1.679 1.00 0.00 H new ATOM 0 HA PHE A 87 -7.802 21.626 -3.273 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -8.997 18.826 -3.291 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -9.625 19.985 -4.445 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -8.015 21.154 -6.034 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.829 17.838 -3.577 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -6.031 20.795 -7.477 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -4.845 17.477 -5.020 1.00 0.00 H new ATOM 0 HZ PHE A 87 -4.446 18.955 -6.971 1.00 0.00 H new ATOM 618 N LEU A 88 -10.435 21.142 -1.439 1.00 0.00 N ATOM 619 CA LEU A 88 -11.710 21.799 -1.016 1.00 0.00 C ATOM 620 C LEU A 88 -11.421 23.171 -0.401 1.00 0.00 C ATOM 621 O LEU A 88 -12.242 24.068 -0.452 1.00 0.00 O ATOM 622 CB LEU A 88 -12.322 20.862 0.028 1.00 0.00 C ATOM 623 CG LEU A 88 -13.334 19.935 -0.648 1.00 0.00 C ATOM 624 CD1 LEU A 88 -12.592 18.881 -1.471 1.00 0.00 C ATOM 625 CD2 LEU A 88 -14.182 19.242 0.421 1.00 0.00 C ATOM 0 H LEU A 88 -10.152 20.343 -0.872 1.00 0.00 H new ATOM 0 HA LEU A 88 -12.384 21.962 -1.857 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -11.539 20.275 0.508 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -12.811 21.442 0.811 1.00 0.00 H new ATOM 0 HG LEU A 88 -13.980 20.519 -1.304 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -13.314 18.221 -1.952 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -11.987 19.373 -2.232 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -11.946 18.296 -0.816 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -14.904 18.581 -0.059 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -13.535 18.658 1.076 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -14.712 19.992 1.008 1.00 0.00 H new ATOM 637 N GLN A 89 -10.261 23.337 0.180 1.00 0.00 N ATOM 638 CA GLN A 89 -9.909 24.649 0.803 1.00 0.00 C ATOM 639 C GLN A 89 -8.698 25.270 0.097 1.00 0.00 C ATOM 640 O GLN A 89 -7.964 26.043 0.680 1.00 0.00 O ATOM 641 CB GLN A 89 -9.574 24.330 2.266 1.00 0.00 C ATOM 642 CG GLN A 89 -8.435 23.306 2.332 1.00 0.00 C ATOM 643 CD GLN A 89 -7.917 23.207 3.770 1.00 0.00 C ATOM 644 OE1 GLN A 89 -8.618 23.538 4.706 1.00 0.00 O ATOM 645 NE2 GLN A 89 -6.710 22.760 3.986 1.00 0.00 N ATOM 0 H GLN A 89 -9.540 22.619 0.250 1.00 0.00 H new ATOM 0 HA GLN A 89 -10.725 25.368 0.723 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -9.285 25.242 2.789 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -10.456 23.938 2.773 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -8.788 22.332 1.994 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -7.627 23.602 1.663 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -6.121 22.482 3.201 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -6.356 22.689 4.940 1.00 0.00 H new ATOM 654 N LEU A 90 -8.487 24.936 -1.153 1.00 0.00 N ATOM 655 CA LEU A 90 -7.321 25.507 -1.900 1.00 0.00 C ATOM 656 C LEU A 90 -7.428 27.034 -1.959 1.00 0.00 C ATOM 657 O LEU A 90 -6.396 27.676 -2.059 1.00 0.00 O ATOM 658 CB LEU A 90 -7.408 24.911 -3.308 1.00 0.00 C ATOM 659 CG LEU A 90 -6.212 25.383 -4.137 1.00 0.00 C ATOM 660 CD1 LEU A 90 -4.923 24.797 -3.556 1.00 0.00 C ATOM 661 CD2 LEU A 90 -6.377 24.914 -5.584 1.00 0.00 C ATOM 662 OXT LEU A 90 -8.539 27.533 -1.901 1.00 0.00 O ATOM 0 H LEU A 90 -9.071 24.293 -1.688 1.00 0.00 H new ATOM 0 HA LEU A 90 -6.372 25.270 -1.419 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.419 23.822 -3.254 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.339 25.216 -3.787 1.00 0.00 H new ATOM 0 HG LEU A 90 -6.160 26.471 -4.111 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -4.071 25.134 -4.147 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.804 25.131 -2.525 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.974 23.709 -3.581 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.525 25.250 -6.175 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.430 23.826 -5.610 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.294 25.332 -6.000 1.00 0.00 H new ATOM 675 N GLY B 166 -9.072 28.730 0.631 1.00 0.00 N ATOM 676 CA GLY B 166 -7.662 29.038 0.254 1.00 0.00 C ATOM 677 C GLY B 166 -7.096 30.093 1.206 1.00 0.00 C ATOM 678 O GLY B 166 -7.779 30.570 2.093 1.00 0.00 O ATOM 0 HA2 GLY B 166 -7.057 28.132 0.297 1.00 0.00 H new ATOM 0 HA3 GLY B 166 -7.620 29.400 -0.773 1.00 0.00 H new ATOM 684 N LEU B 167 -5.852 30.454 1.028 1.00 0.00 N ATOM 685 CA LEU B 167 -5.227 31.476 1.921 1.00 0.00 C ATOM 686 C LEU B 167 -4.336 32.429 1.112 1.00 0.00 C ATOM 687 O LEU B 167 -4.404 33.632 1.276 1.00 0.00 O ATOM 688 CB LEU B 167 -4.404 30.687 2.958 1.00 0.00 C ATOM 689 CG LEU B 167 -3.455 29.686 2.276 1.00 0.00 C ATOM 690 CD1 LEU B 167 -2.073 30.315 2.114 1.00 0.00 C ATOM 691 CD2 LEU B 167 -3.348 28.426 3.136 1.00 0.00 C ATOM 0 H LEU B 167 -5.240 30.084 0.301 1.00 0.00 H new ATOM 0 HA LEU B 167 -5.978 32.097 2.409 1.00 0.00 H new ATOM 0 HB2 LEU B 167 -3.826 31.380 3.570 1.00 0.00 H new ATOM 0 HB3 LEU B 167 -5.077 30.154 3.629 1.00 0.00 H new ATOM 0 HG LEU B 167 -3.847 29.425 1.293 1.00 0.00 H new ATOM 0 HD11 LEU B 167 -1.404 29.603 1.631 1.00 0.00 H new ATOM 0 HD12 LEU B 167 -2.152 31.213 1.501 1.00 0.00 H new ATOM 0 HD13 LEU B 167 -1.676 30.578 3.094 1.00 0.00 H new ATOM 0 HD21 LEU B 167 -2.676 27.714 2.656 1.00 0.00 H new ATOM 0 HD22 LEU B 167 -2.957 28.688 4.119 1.00 0.00 H new ATOM 0 HD23 LEU B 167 -4.335 27.976 3.247 1.00 0.00 H new ATOM 703 N SER B 168 -3.507 31.906 0.242 1.00 0.00 N ATOM 704 CA SER B 168 -2.617 32.792 -0.573 1.00 0.00 C ATOM 705 C SER B 168 -2.238 32.134 -1.909 1.00 0.00 C ATOM 706 O SER B 168 -1.326 32.578 -2.581 1.00 0.00 O ATOM 707 CB SER B 168 -1.372 32.992 0.291 1.00 0.00 C ATOM 708 OG SER B 168 -0.562 31.827 0.224 1.00 0.00 O ATOM 0 H SER B 168 -3.408 30.907 0.061 1.00 0.00 H new ATOM 0 HA SER B 168 -3.110 33.731 -0.827 1.00 0.00 H new ATOM 0 HB2 SER B 168 -0.811 33.860 -0.055 1.00 0.00 H new ATOM 0 HB3 SER B 168 -1.660 33.190 1.324 1.00 0.00 H new ATOM 0 HG SER B 168 0.361 32.082 0.016 1.00 0.00 H new ATOM 714 N LYS B 169 -2.925 31.083 -2.307 1.00 0.00 N ATOM 715 CA LYS B 169 -2.602 30.396 -3.602 1.00 0.00 C ATOM 716 C LYS B 169 -1.102 30.100 -3.709 1.00 0.00 C ATOM 717 O LYS B 169 -0.556 30.003 -4.793 1.00 0.00 O ATOM 718 CB LYS B 169 -3.037 31.373 -4.695 1.00 0.00 C ATOM 719 CG LYS B 169 -3.201 30.617 -6.015 1.00 0.00 C ATOM 720 CD LYS B 169 -4.438 29.720 -5.940 1.00 0.00 C ATOM 721 CE LYS B 169 -4.842 29.288 -7.352 1.00 0.00 C ATOM 722 NZ LYS B 169 -5.842 30.302 -7.792 1.00 0.00 N ATOM 0 H LYS B 169 -3.699 30.671 -1.786 1.00 0.00 H new ATOM 0 HA LYS B 169 -3.111 29.436 -3.685 1.00 0.00 H new ATOM 0 HB2 LYS B 169 -3.976 31.851 -4.418 1.00 0.00 H new ATOM 0 HB3 LYS B 169 -2.296 32.165 -4.806 1.00 0.00 H new ATOM 0 HG2 LYS B 169 -3.300 31.322 -6.840 1.00 0.00 H new ATOM 0 HG3 LYS B 169 -2.314 30.015 -6.214 1.00 0.00 H new ATOM 0 HD2 LYS B 169 -4.228 28.844 -5.326 1.00 0.00 H new ATOM 0 HD3 LYS B 169 -5.259 30.254 -5.463 1.00 0.00 H new ATOM 0 HE2 LYS B 169 -3.981 29.266 -8.020 1.00 0.00 H new ATOM 0 HE3 LYS B 169 -5.270 28.286 -7.351 1.00 0.00 H new ATOM 0 HZ1 LYS B 169 -6.167 30.074 -8.753 1.00 0.00 H new ATOM 0 HZ2 LYS B 169 -6.653 30.295 -7.141 1.00 0.00 H new ATOM 0 HZ3 LYS B 169 -5.404 31.245 -7.789 1.00 0.00 H new ATOM 736 N GLU B 170 -0.439 29.959 -2.592 1.00 0.00 N ATOM 737 CA GLU B 170 1.024 29.670 -2.613 1.00 0.00 C ATOM 738 C GLU B 170 1.426 28.914 -1.350 1.00 0.00 C ATOM 739 O GLU B 170 2.124 27.920 -1.410 1.00 0.00 O ATOM 740 CB GLU B 170 1.700 31.041 -2.663 1.00 0.00 C ATOM 741 CG GLU B 170 1.939 31.439 -4.121 1.00 0.00 C ATOM 742 CD GLU B 170 3.175 32.336 -4.209 1.00 0.00 C ATOM 743 OE1 GLU B 170 3.357 33.150 -3.319 1.00 0.00 O ATOM 744 OE2 GLU B 170 3.920 32.192 -5.165 1.00 0.00 O ATOM 0 H GLU B 170 -0.850 30.032 -1.662 1.00 0.00 H new ATOM 0 HA GLU B 170 1.312 29.047 -3.460 1.00 0.00 H new ATOM 0 HB2 GLU B 170 1.075 31.785 -2.170 1.00 0.00 H new ATOM 0 HB3 GLU B 170 2.646 31.012 -2.123 1.00 0.00 H new ATOM 0 HG2 GLU B 170 2.078 30.549 -4.734 1.00 0.00 H new ATOM 0 HG3 GLU B 170 1.068 31.963 -4.514 1.00 0.00 H new ATOM 751 N GLU B 171 0.981 29.373 -0.207 1.00 0.00 N ATOM 752 CA GLU B 171 1.327 28.673 1.061 1.00 0.00 C ATOM 753 C GLU B 171 0.526 27.377 1.151 1.00 0.00 C ATOM 754 O GLU B 171 1.014 26.362 1.610 1.00 0.00 O ATOM 755 CB GLU B 171 0.944 29.640 2.188 1.00 0.00 C ATOM 756 CG GLU B 171 2.210 30.161 2.875 1.00 0.00 C ATOM 757 CD GLU B 171 1.880 30.576 4.310 1.00 0.00 C ATOM 758 OE1 GLU B 171 1.170 29.837 4.971 1.00 0.00 O ATOM 759 OE2 GLU B 171 2.344 31.626 4.723 1.00 0.00 O ATOM 0 H GLU B 171 0.394 30.201 -0.100 1.00 0.00 H new ATOM 0 HA GLU B 171 2.383 28.409 1.121 1.00 0.00 H new ATOM 0 HB2 GLU B 171 0.368 30.473 1.785 1.00 0.00 H new ATOM 0 HB3 GLU B 171 0.307 29.134 2.914 1.00 0.00 H new ATOM 0 HG2 GLU B 171 2.979 29.389 2.877 1.00 0.00 H new ATOM 0 HG3 GLU B 171 2.612 31.011 2.323 1.00 0.00 H new ATOM 766 N LEU B 172 -0.696 27.408 0.690 1.00 0.00 N ATOM 767 CA LEU B 172 -1.540 26.178 0.715 1.00 0.00 C ATOM 768 C LEU B 172 -1.060 25.214 -0.373 1.00 0.00 C ATOM 769 O LEU B 172 -1.194 24.011 -0.251 1.00 0.00 O ATOM 770 CB LEU B 172 -2.963 26.657 0.422 1.00 0.00 C ATOM 771 CG LEU B 172 -3.954 25.880 1.289 1.00 0.00 C ATOM 772 CD1 LEU B 172 -5.328 26.546 1.214 1.00 0.00 C ATOM 773 CD2 LEU B 172 -4.057 24.440 0.777 1.00 0.00 C ATOM 0 H LEU B 172 -1.147 28.234 0.296 1.00 0.00 H new ATOM 0 HA LEU B 172 -1.487 25.651 1.668 1.00 0.00 H new ATOM 0 HB2 LEU B 172 -3.047 27.725 0.624 1.00 0.00 H new ATOM 0 HB3 LEU B 172 -3.196 26.513 -0.633 1.00 0.00 H new ATOM 0 HG LEU B 172 -3.608 25.876 2.323 1.00 0.00 H new ATOM 0 HD11 LEU B 172 -6.035 25.992 1.832 1.00 0.00 H new ATOM 0 HD12 LEU B 172 -5.255 27.572 1.576 1.00 0.00 H new ATOM 0 HD13 LEU B 172 -5.675 26.550 0.181 1.00 0.00 H new ATOM 0 HD21 LEU B 172 -4.763 23.884 1.394 1.00 0.00 H new ATOM 0 HD22 LEU B 172 -4.404 24.445 -0.256 1.00 0.00 H new ATOM 0 HD23 LEU B 172 -3.078 23.965 0.829 1.00 0.00 H new ATOM 785 N ILE B 173 -0.489 25.740 -1.430 1.00 0.00 N ATOM 786 CA ILE B 173 0.017 24.863 -2.527 1.00 0.00 C ATOM 787 C ILE B 173 1.207 24.047 -2.017 1.00 0.00 C ATOM 788 O ILE B 173 1.436 22.932 -2.443 1.00 0.00 O ATOM 789 CB ILE B 173 0.457 25.816 -3.647 1.00 0.00 C ATOM 790 CG1 ILE B 173 -0.729 26.689 -4.097 1.00 0.00 C ATOM 791 CG2 ILE B 173 0.976 25.005 -4.839 1.00 0.00 C ATOM 792 CD1 ILE B 173 -1.877 25.811 -4.610 1.00 0.00 C ATOM 0 H ILE B 173 -0.352 26.740 -1.578 1.00 0.00 H new ATOM 0 HA ILE B 173 -0.738 24.160 -2.879 1.00 0.00 H new ATOM 0 HB ILE B 173 1.251 26.461 -3.270 1.00 0.00 H new ATOM 0 HG12 ILE B 173 -1.075 27.300 -3.264 1.00 0.00 H new ATOM 0 HG13 ILE B 173 -0.407 27.373 -4.882 1.00 0.00 H new ATOM 0 HG21 ILE B 173 1.288 25.684 -5.633 1.00 0.00 H new ATOM 0 HG22 ILE B 173 1.826 24.400 -4.525 1.00 0.00 H new ATOM 0 HG23 ILE B 173 0.184 24.354 -5.209 1.00 0.00 H new ATOM 0 HD11 ILE B 173 -2.707 26.444 -4.924 1.00 0.00 H new ATOM 0 HD12 ILE B 173 -1.532 25.219 -5.457 1.00 0.00 H new ATOM 0 HD13 ILE B 173 -2.210 25.145 -3.814 1.00 0.00 H new ATOM 804 N GLN B 174 1.960 24.601 -1.098 1.00 0.00 N ATOM 805 CA GLN B 174 3.137 23.864 -0.545 1.00 0.00 C ATOM 806 C GLN B 174 2.661 22.730 0.366 1.00 0.00 C ATOM 807 O GLN B 174 3.321 21.716 0.504 1.00 0.00 O ATOM 808 CB GLN B 174 3.923 24.903 0.256 1.00 0.00 C ATOM 809 CG GLN B 174 5.421 24.623 0.124 1.00 0.00 C ATOM 810 CD GLN B 174 6.212 25.727 0.829 1.00 0.00 C ATOM 811 OE1 GLN B 174 6.177 25.837 2.038 1.00 0.00 O ATOM 812 NE2 GLN B 174 6.928 26.555 0.120 1.00 0.00 N ATOM 0 H GLN B 174 1.810 25.531 -0.708 1.00 0.00 H new ATOM 0 HA GLN B 174 3.748 23.413 -1.327 1.00 0.00 H new ATOM 0 HB2 GLN B 174 3.696 25.905 -0.107 1.00 0.00 H new ATOM 0 HB3 GLN B 174 3.627 24.869 1.305 1.00 0.00 H new ATOM 0 HG2 GLN B 174 5.660 23.654 0.562 1.00 0.00 H new ATOM 0 HG3 GLN B 174 5.701 24.576 -0.928 1.00 0.00 H new ATOM 0 HE21 GLN B 174 6.958 26.463 -0.895 1.00 0.00 H new ATOM 0 HE22 GLN B 174 7.458 27.294 0.581 1.00 0.00 H new ATOM 821 N ASN B 175 1.520 22.896 0.986 1.00 0.00 N ATOM 822 CA ASN B 175 0.991 21.830 1.890 1.00 0.00 C ATOM 823 C ASN B 175 0.493 20.642 1.064 1.00 0.00 C ATOM 824 O ASN B 175 0.569 19.505 1.489 1.00 0.00 O ATOM 825 CB ASN B 175 -0.169 22.482 2.647 1.00 0.00 C ATOM 826 CG ASN B 175 0.383 23.485 3.660 1.00 0.00 C ATOM 827 OD1 ASN B 175 1.484 23.330 4.149 1.00 0.00 O ATOM 828 ND2 ASN B 175 -0.342 24.517 3.999 1.00 0.00 N ATOM 0 H ASN B 175 0.931 23.725 0.905 1.00 0.00 H new ATOM 0 HA ASN B 175 1.754 21.451 2.570 1.00 0.00 H new ATOM 0 HB2 ASN B 175 -0.836 22.985 1.948 1.00 0.00 H new ATOM 0 HB3 ASN B 175 -0.758 21.720 3.158 1.00 0.00 H new ATOM 0 HD21 ASN B 175 0.016 25.192 4.674 1.00 0.00 H new ATOM 0 HD22 ASN B 175 -1.267 24.648 3.589 1.00 0.00 H new ATOM 835 N MET B 176 -0.011 20.903 -0.115 1.00 0.00 N ATOM 836 CA MET B 176 -0.513 19.793 -0.983 1.00 0.00 C ATOM 837 C MET B 176 0.664 18.962 -1.498 1.00 0.00 C ATOM 838 O MET B 176 0.540 17.775 -1.735 1.00 0.00 O ATOM 839 CB MET B 176 -1.238 20.481 -2.143 1.00 0.00 C ATOM 840 CG MET B 176 -2.752 20.392 -1.934 1.00 0.00 C ATOM 841 SD MET B 176 -3.586 20.418 -3.541 1.00 0.00 S ATOM 842 CE MET B 176 -5.034 21.373 -3.028 1.00 0.00 C ATOM 0 H MET B 176 -0.097 21.837 -0.515 1.00 0.00 H new ATOM 0 HA MET B 176 -1.174 19.114 -0.445 1.00 0.00 H new ATOM 0 HB2 MET B 176 -0.931 21.525 -2.208 1.00 0.00 H new ATOM 0 HB3 MET B 176 -0.964 20.009 -3.086 1.00 0.00 H new ATOM 0 HG2 MET B 176 -3.003 19.477 -1.397 1.00 0.00 H new ATOM 0 HG3 MET B 176 -3.095 21.225 -1.321 1.00 0.00 H new ATOM 0 HE1 MET B 176 -5.488 21.842 -3.901 1.00 0.00 H new ATOM 0 HE2 MET B 176 -5.758 20.710 -2.554 1.00 0.00 H new ATOM 0 HE3 MET B 176 -4.729 22.143 -2.319 1.00 0.00 H new ATOM 852 N ASP B 177 1.804 19.581 -1.670 1.00 0.00 N ATOM 853 CA ASP B 177 2.999 18.834 -2.167 1.00 0.00 C ATOM 854 C ASP B 177 3.488 17.861 -1.092 1.00 0.00 C ATOM 855 O ASP B 177 4.020 16.808 -1.391 1.00 0.00 O ATOM 856 CB ASP B 177 4.059 19.902 -2.446 1.00 0.00 C ATOM 857 CG ASP B 177 3.869 20.453 -3.860 1.00 0.00 C ATOM 858 OD1 ASP B 177 3.735 19.654 -4.772 1.00 0.00 O ATOM 859 OD2 ASP B 177 3.859 21.665 -4.007 1.00 0.00 O ATOM 0 H ASP B 177 1.959 20.572 -1.488 1.00 0.00 H new ATOM 0 HA ASP B 177 2.777 18.247 -3.058 1.00 0.00 H new ATOM 0 HB2 ASP B 177 3.979 20.708 -1.717 1.00 0.00 H new ATOM 0 HB3 ASP B 177 5.057 19.475 -2.342 1.00 0.00 H new ATOM 864 N ARG B 178 3.302 18.207 0.155 1.00 0.00 N ATOM 865 CA ARG B 178 3.745 17.305 1.262 1.00 0.00 C ATOM 866 C ARG B 178 2.854 16.064 1.303 1.00 0.00 C ATOM 867 O ARG B 178 3.328 14.950 1.416 1.00 0.00 O ATOM 868 CB ARG B 178 3.583 18.129 2.543 1.00 0.00 C ATOM 869 CG ARG B 178 4.801 17.920 3.451 1.00 0.00 C ATOM 870 CD ARG B 178 5.767 19.097 3.295 1.00 0.00 C ATOM 871 NE ARG B 178 5.035 20.269 3.854 1.00 0.00 N ATOM 872 CZ ARG B 178 5.700 21.270 4.361 1.00 0.00 C ATOM 873 NH1 ARG B 178 6.218 22.174 3.576 1.00 0.00 N ATOM 874 NH2 ARG B 178 5.847 21.369 5.655 1.00 0.00 N ATOM 0 H ARG B 178 2.862 19.076 0.456 1.00 0.00 H new ATOM 0 HA ARG B 178 4.772 16.962 1.134 1.00 0.00 H new ATOM 0 HB2 ARG B 178 3.479 19.186 2.296 1.00 0.00 H new ATOM 0 HB3 ARG B 178 2.673 17.832 3.065 1.00 0.00 H new ATOM 0 HG2 ARG B 178 4.482 17.834 4.490 1.00 0.00 H new ATOM 0 HG3 ARG B 178 5.303 16.988 3.193 1.00 0.00 H new ATOM 0 HD2 ARG B 178 6.698 18.919 3.834 1.00 0.00 H new ATOM 0 HD3 ARG B 178 6.030 19.257 2.249 1.00 0.00 H new ATOM 0 HE ARG B 178 4.015 20.288 3.840 1.00 0.00 H new ATOM 0 HH11 ARG B 178 6.103 22.098 2.565 1.00 0.00 H new ATOM 0 HH12 ARG B 178 6.738 22.957 3.973 1.00 0.00 H new ATOM 0 HH21 ARG B 178 5.442 20.663 6.270 1.00 0.00 H new ATOM 0 HH22 ARG B 178 6.367 22.152 6.051 1.00 0.00 H new ATOM 888 N VAL B 179 1.566 16.258 1.207 1.00 0.00 N ATOM 889 CA VAL B 179 0.623 15.097 1.232 1.00 0.00 C ATOM 890 C VAL B 179 0.901 14.178 0.039 1.00 0.00 C ATOM 891 O VAL B 179 0.705 12.980 0.108 1.00 0.00 O ATOM 892 CB VAL B 179 -0.781 15.707 1.129 1.00 0.00 C ATOM 893 CG1 VAL B 179 -1.831 14.593 1.165 1.00 0.00 C ATOM 894 CG2 VAL B 179 -1.015 16.657 2.307 1.00 0.00 C ATOM 0 H VAL B 179 1.123 17.172 1.112 1.00 0.00 H new ATOM 0 HA VAL B 179 0.731 14.497 2.135 1.00 0.00 H new ATOM 0 HB VAL B 179 -0.864 16.257 0.192 1.00 0.00 H new ATOM 0 HG11 VAL B 179 -2.827 15.029 1.092 1.00 0.00 H new ATOM 0 HG12 VAL B 179 -1.670 13.914 0.328 1.00 0.00 H new ATOM 0 HG13 VAL B 179 -1.744 14.042 2.101 1.00 0.00 H new ATOM 0 HG21 VAL B 179 -2.013 17.090 2.233 1.00 0.00 H new ATOM 0 HG22 VAL B 179 -0.928 16.105 3.243 1.00 0.00 H new ATOM 0 HG23 VAL B 179 -0.271 17.454 2.285 1.00 0.00 H new ATOM 904 N ASP B 180 1.362 14.737 -1.051 1.00 0.00 N ATOM 905 CA ASP B 180 1.664 13.903 -2.254 1.00 0.00 C ATOM 906 C ASP B 180 2.857 12.992 -1.968 1.00 0.00 C ATOM 907 O ASP B 180 2.945 11.890 -2.479 1.00 0.00 O ATOM 908 CB ASP B 180 2.003 14.901 -3.364 1.00 0.00 C ATOM 909 CG ASP B 180 1.683 14.280 -4.725 1.00 0.00 C ATOM 910 OD1 ASP B 180 1.899 13.090 -4.876 1.00 0.00 O ATOM 911 OD2 ASP B 180 1.229 15.007 -5.593 1.00 0.00 O ATOM 0 H ASP B 180 1.542 15.735 -1.160 1.00 0.00 H new ATOM 0 HA ASP B 180 0.828 13.262 -2.533 1.00 0.00 H new ATOM 0 HB2 ASP B 180 1.432 15.820 -3.228 1.00 0.00 H new ATOM 0 HB3 ASP B 180 3.058 15.171 -3.315 1.00 0.00 H new ATOM 916 N ARG B 181 3.770 13.444 -1.147 1.00 0.00 N ATOM 917 CA ARG B 181 4.962 12.609 -0.811 1.00 0.00 C ATOM 918 C ARG B 181 4.547 11.468 0.121 1.00 0.00 C ATOM 919 O ARG B 181 5.125 10.398 0.102 1.00 0.00 O ATOM 920 CB ARG B 181 5.931 13.557 -0.102 1.00 0.00 C ATOM 921 CG ARG B 181 6.991 14.044 -1.093 1.00 0.00 C ATOM 922 CD ARG B 181 6.346 14.997 -2.103 1.00 0.00 C ATOM 923 NE ARG B 181 7.271 14.999 -3.272 1.00 0.00 N ATOM 924 CZ ARG B 181 6.907 14.435 -4.391 1.00 0.00 C ATOM 925 NH1 ARG B 181 6.785 13.137 -4.458 1.00 0.00 N ATOM 926 NH2 ARG B 181 6.665 15.168 -5.443 1.00 0.00 N ATOM 0 H ARG B 181 3.741 14.357 -0.694 1.00 0.00 H new ATOM 0 HA ARG B 181 5.416 12.158 -1.693 1.00 0.00 H new ATOM 0 HB2 ARG B 181 5.387 14.407 0.311 1.00 0.00 H new ATOM 0 HB3 ARG B 181 6.408 13.047 0.735 1.00 0.00 H new ATOM 0 HG2 ARG B 181 7.796 14.551 -0.561 1.00 0.00 H new ATOM 0 HG3 ARG B 181 7.437 13.195 -1.611 1.00 0.00 H new ATOM 0 HD2 ARG B 181 5.350 14.657 -2.387 1.00 0.00 H new ATOM 0 HD3 ARG B 181 6.234 15.998 -1.686 1.00 0.00 H new ATOM 0 HE ARG B 181 8.187 15.441 -3.197 1.00 0.00 H new ATOM 0 HH11 ARG B 181 6.974 12.564 -3.636 1.00 0.00 H new ATOM 0 HH12 ARG B 181 6.500 12.696 -5.333 1.00 0.00 H new ATOM 0 HH21 ARG B 181 6.760 16.182 -5.391 1.00 0.00 H new ATOM 0 HH22 ARG B 181 6.381 14.727 -6.318 1.00 0.00 H new ATOM 940 N GLU B 182 3.543 11.693 0.932 1.00 0.00 N ATOM 941 CA GLU B 182 3.077 10.625 1.868 1.00 0.00 C ATOM 942 C GLU B 182 2.382 9.513 1.081 1.00 0.00 C ATOM 943 O GLU B 182 2.477 8.348 1.422 1.00 0.00 O ATOM 944 CB GLU B 182 2.088 11.316 2.810 1.00 0.00 C ATOM 945 CG GLU B 182 2.040 10.564 4.141 1.00 0.00 C ATOM 946 CD GLU B 182 1.397 11.453 5.208 1.00 0.00 C ATOM 947 OE1 GLU B 182 1.908 12.538 5.432 1.00 0.00 O ATOM 948 OE2 GLU B 182 0.406 11.034 5.781 1.00 0.00 O ATOM 0 H GLU B 182 3.026 12.571 0.986 1.00 0.00 H new ATOM 0 HA GLU B 182 3.900 10.167 2.416 1.00 0.00 H new ATOM 0 HB2 GLU B 182 2.389 12.350 2.975 1.00 0.00 H new ATOM 0 HB3 GLU B 182 1.096 11.341 2.358 1.00 0.00 H new ATOM 0 HG2 GLU B 182 1.470 9.642 4.029 1.00 0.00 H new ATOM 0 HG3 GLU B 182 3.047 10.281 4.447 1.00 0.00 H new ATOM 955 N ILE B 183 1.692 9.867 0.029 1.00 0.00 N ATOM 956 CA ILE B 183 0.992 8.837 -0.795 1.00 0.00 C ATOM 957 C ILE B 183 2.017 8.053 -1.619 1.00 0.00 C ATOM 958 O ILE B 183 1.833 6.886 -1.909 1.00 0.00 O ATOM 959 CB ILE B 183 0.043 9.620 -1.709 1.00 0.00 C ATOM 960 CG1 ILE B 183 -0.940 10.429 -0.856 1.00 0.00 C ATOM 961 CG2 ILE B 183 -0.741 8.645 -2.592 1.00 0.00 C ATOM 962 CD1 ILE B 183 -1.786 11.327 -1.761 1.00 0.00 C ATOM 0 H ILE B 183 1.583 10.828 -0.296 1.00 0.00 H new ATOM 0 HA ILE B 183 0.448 8.116 -0.185 1.00 0.00 H new ATOM 0 HB ILE B 183 0.625 10.295 -2.337 1.00 0.00 H new ATOM 0 HG12 ILE B 183 -1.584 9.757 -0.289 1.00 0.00 H new ATOM 0 HG13 ILE B 183 -0.396 11.035 -0.132 1.00 0.00 H new ATOM 0 HG21 ILE B 183 -1.415 9.204 -3.241 1.00 0.00 H new ATOM 0 HG22 ILE B 183 -0.046 8.067 -3.202 1.00 0.00 H new ATOM 0 HG23 ILE B 183 -1.320 7.969 -1.963 1.00 0.00 H new ATOM 0 HD11 ILE B 183 -2.485 11.902 -1.153 1.00 0.00 H new ATOM 0 HD12 ILE B 183 -1.135 12.009 -2.308 1.00 0.00 H new ATOM 0 HD13 ILE B 183 -2.342 10.711 -2.468 1.00 0.00 H new ATOM 974 N THR B 184 3.099 8.690 -1.987 1.00 0.00 N ATOM 975 CA THR B 184 4.151 7.991 -2.786 1.00 0.00 C ATOM 976 C THR B 184 4.913 7.014 -1.889 1.00 0.00 C ATOM 977 O THR B 184 5.320 5.951 -2.320 1.00 0.00 O ATOM 978 CB THR B 184 5.080 9.098 -3.288 1.00 0.00 C ATOM 979 OG1 THR B 184 4.318 10.067 -3.995 1.00 0.00 O ATOM 980 CG2 THR B 184 6.135 8.498 -4.218 1.00 0.00 C ATOM 0 H THR B 184 3.300 9.666 -1.768 1.00 0.00 H new ATOM 0 HA THR B 184 3.733 7.415 -3.612 1.00 0.00 H new ATOM 0 HB THR B 184 5.575 9.571 -2.440 1.00 0.00 H new ATOM 0 HG1 THR B 184 4.002 10.754 -3.371 1.00 0.00 H new ATOM 0 HG21 THR B 184 6.796 9.287 -4.575 1.00 0.00 H new ATOM 0 HG22 THR B 184 6.718 7.754 -3.675 1.00 0.00 H new ATOM 0 HG23 THR B 184 5.644 8.024 -5.068 1.00 0.00 H new ATOM 988 N MET B 185 5.101 7.366 -0.642 1.00 0.00 N ATOM 989 CA MET B 185 5.829 6.459 0.296 1.00 0.00 C ATOM 990 C MET B 185 4.947 5.259 0.640 1.00 0.00 C ATOM 991 O MET B 185 5.415 4.139 0.734 1.00 0.00 O ATOM 992 CB MET B 185 6.103 7.301 1.544 1.00 0.00 C ATOM 993 CG MET B 185 7.357 6.780 2.247 1.00 0.00 C ATOM 994 SD MET B 185 8.828 7.445 1.430 1.00 0.00 S ATOM 995 CE MET B 185 9.310 8.600 2.736 1.00 0.00 C ATOM 0 H MET B 185 4.781 8.244 -0.233 1.00 0.00 H new ATOM 0 HA MET B 185 6.752 6.071 -0.135 1.00 0.00 H new ATOM 0 HB2 MET B 185 6.236 8.347 1.268 1.00 0.00 H new ATOM 0 HB3 MET B 185 5.249 7.256 2.220 1.00 0.00 H new ATOM 0 HG2 MET B 185 7.347 7.074 3.297 1.00 0.00 H new ATOM 0 HG3 MET B 185 7.375 5.690 2.221 1.00 0.00 H new ATOM 0 HE1 MET B 185 10.214 9.130 2.437 1.00 0.00 H new ATOM 0 HE2 MET B 185 8.507 9.318 2.902 1.00 0.00 H new ATOM 0 HE3 MET B 185 9.500 8.049 3.657 1.00 0.00 H new ATOM 1005 N VAL B 186 3.670 5.487 0.818 1.00 0.00 N ATOM 1006 CA VAL B 186 2.742 4.363 1.148 1.00 0.00 C ATOM 1007 C VAL B 186 2.566 3.470 -0.083 1.00 0.00 C ATOM 1008 O VAL B 186 2.387 2.272 0.029 1.00 0.00 O ATOM 1009 CB VAL B 186 1.415 5.028 1.533 1.00 0.00 C ATOM 1010 CG1 VAL B 186 0.383 3.955 1.888 1.00 0.00 C ATOM 1011 CG2 VAL B 186 1.632 5.939 2.745 1.00 0.00 C ATOM 0 H VAL B 186 3.230 6.404 0.749 1.00 0.00 H new ATOM 0 HA VAL B 186 3.117 3.734 1.956 1.00 0.00 H new ATOM 0 HB VAL B 186 1.052 5.617 0.691 1.00 0.00 H new ATOM 0 HG11 VAL B 186 -0.558 4.432 2.161 1.00 0.00 H new ATOM 0 HG12 VAL B 186 0.224 3.304 1.028 1.00 0.00 H new ATOM 0 HG13 VAL B 186 0.747 3.364 2.728 1.00 0.00 H new ATOM 0 HG21 VAL B 186 0.689 6.412 3.018 1.00 0.00 H new ATOM 0 HG22 VAL B 186 1.998 5.347 3.584 1.00 0.00 H new ATOM 0 HG23 VAL B 186 2.364 6.707 2.496 1.00 0.00 H new ATOM 1021 N GLU B 187 2.626 4.049 -1.254 1.00 0.00 N ATOM 1022 CA GLU B 187 2.472 3.243 -2.503 1.00 0.00 C ATOM 1023 C GLU B 187 3.707 2.364 -2.711 1.00 0.00 C ATOM 1024 O GLU B 187 3.626 1.287 -3.273 1.00 0.00 O ATOM 1025 CB GLU B 187 2.346 4.267 -3.633 1.00 0.00 C ATOM 1026 CG GLU B 187 1.829 3.574 -4.896 1.00 0.00 C ATOM 1027 CD GLU B 187 3.012 3.054 -5.713 1.00 0.00 C ATOM 1028 OE1 GLU B 187 3.883 3.848 -6.029 1.00 0.00 O ATOM 1029 OE2 GLU B 187 3.027 1.870 -6.011 1.00 0.00 O ATOM 0 H GLU B 187 2.775 5.047 -1.400 1.00 0.00 H new ATOM 0 HA GLU B 187 1.607 2.581 -2.463 1.00 0.00 H new ATOM 0 HB2 GLU B 187 1.665 5.066 -3.339 1.00 0.00 H new ATOM 0 HB3 GLU B 187 3.314 4.729 -3.829 1.00 0.00 H new ATOM 0 HG2 GLU B 187 1.169 2.749 -4.627 1.00 0.00 H new ATOM 0 HG3 GLU B 187 1.241 4.272 -5.492 1.00 0.00 H new ATOM 1036 N GLN B 188 4.846 2.816 -2.252 1.00 0.00 N ATOM 1037 CA GLN B 188 6.095 2.011 -2.410 1.00 0.00 C ATOM 1038 C GLN B 188 6.076 0.826 -1.442 1.00 0.00 C ATOM 1039 O GLN B 188 6.631 -0.220 -1.717 1.00 0.00 O ATOM 1040 CB GLN B 188 7.239 2.968 -2.065 1.00 0.00 C ATOM 1041 CG GLN B 188 8.450 2.656 -2.946 1.00 0.00 C ATOM 1042 CD GLN B 188 8.435 3.563 -4.178 1.00 0.00 C ATOM 1043 OE1 GLN B 188 9.462 4.066 -4.589 1.00 0.00 O ATOM 1044 NE2 GLN B 188 7.306 3.793 -4.790 1.00 0.00 N ATOM 0 H GLN B 188 4.965 3.709 -1.774 1.00 0.00 H new ATOM 0 HA GLN B 188 6.200 1.605 -3.416 1.00 0.00 H new ATOM 0 HB2 GLN B 188 6.922 4.000 -2.217 1.00 0.00 H new ATOM 0 HB3 GLN B 188 7.506 2.868 -1.013 1.00 0.00 H new ATOM 0 HG2 GLN B 188 9.371 2.806 -2.382 1.00 0.00 H new ATOM 0 HG3 GLN B 188 8.430 1.610 -3.252 1.00 0.00 H new ATOM 0 HE21 GLN B 188 6.444 3.371 -4.445 1.00 0.00 H new ATOM 0 HE22 GLN B 188 7.286 4.395 -5.613 1.00 0.00 H new ATOM 1053 N GLN B 189 5.433 0.987 -0.314 1.00 0.00 N ATOM 1054 CA GLN B 189 5.364 -0.126 0.680 1.00 0.00 C ATOM 1055 C GLN B 189 4.423 -1.220 0.169 1.00 0.00 C ATOM 1056 O GLN B 189 4.667 -2.397 0.357 1.00 0.00 O ATOM 1057 CB GLN B 189 4.807 0.508 1.959 1.00 0.00 C ATOM 1058 CG GLN B 189 5.544 -0.056 3.178 1.00 0.00 C ATOM 1059 CD GLN B 189 6.638 0.921 3.619 1.00 0.00 C ATOM 1060 OE1 GLN B 189 6.851 1.119 4.798 1.00 0.00 O ATOM 1061 NE2 GLN B 189 7.344 1.544 2.715 1.00 0.00 N ATOM 0 H GLN B 189 4.952 1.843 -0.038 1.00 0.00 H new ATOM 0 HA GLN B 189 6.336 -0.589 0.852 1.00 0.00 H new ATOM 0 HB2 GLN B 189 4.924 1.591 1.920 1.00 0.00 H new ATOM 0 HB3 GLN B 189 3.739 0.305 2.042 1.00 0.00 H new ATOM 0 HG2 GLN B 189 4.841 -0.223 3.995 1.00 0.00 H new ATOM 0 HG3 GLN B 189 5.984 -1.023 2.934 1.00 0.00 H new ATOM 0 HE21 GLN B 189 7.165 1.378 1.725 1.00 0.00 H new ATOM 0 HE22 GLN B 189 8.074 2.197 2.999 1.00 0.00 H new ATOM 1070 N ILE B 190 3.354 -0.835 -0.482 1.00 0.00 N ATOM 1071 CA ILE B 190 2.393 -1.846 -1.016 1.00 0.00 C ATOM 1072 C ILE B 190 3.008 -2.549 -2.228 1.00 0.00 C ATOM 1073 O ILE B 190 2.747 -3.710 -2.483 1.00 0.00 O ATOM 1074 CB ILE B 190 1.146 -1.050 -1.422 1.00 0.00 C ATOM 1075 CG1 ILE B 190 0.588 -0.318 -0.197 1.00 0.00 C ATOM 1076 CG2 ILE B 190 0.083 -2.006 -1.970 1.00 0.00 C ATOM 1077 CD1 ILE B 190 -0.586 0.572 -0.615 1.00 0.00 C ATOM 0 H ILE B 190 3.106 0.137 -0.667 1.00 0.00 H new ATOM 0 HA ILE B 190 2.150 -2.616 -0.284 1.00 0.00 H new ATOM 0 HB ILE B 190 1.413 -0.325 -2.191 1.00 0.00 H new ATOM 0 HG12 ILE B 190 0.261 -1.040 0.551 1.00 0.00 H new ATOM 0 HG13 ILE B 190 1.369 0.287 0.264 1.00 0.00 H new ATOM 0 HG21 ILE B 190 -0.802 -1.439 -2.258 1.00 0.00 H new ATOM 0 HG22 ILE B 190 0.478 -2.529 -2.841 1.00 0.00 H new ATOM 0 HG23 ILE B 190 -0.185 -2.731 -1.202 1.00 0.00 H new ATOM 0 HD11 ILE B 190 -0.979 1.090 0.260 1.00 0.00 H new ATOM 0 HD12 ILE B 190 -0.245 1.304 -1.348 1.00 0.00 H new ATOM 0 HD13 ILE B 190 -1.371 -0.044 -1.055 1.00 0.00 H new ATOM 1089 N SER B 191 3.832 -1.851 -2.969 1.00 0.00 N ATOM 1090 CA SER B 191 4.482 -2.471 -4.161 1.00 0.00 C ATOM 1091 C SER B 191 5.569 -3.444 -3.706 1.00 0.00 C ATOM 1092 O SER B 191 5.790 -4.473 -4.317 1.00 0.00 O ATOM 1093 CB SER B 191 5.094 -1.305 -4.940 1.00 0.00 C ATOM 1094 OG SER B 191 4.216 -0.933 -5.994 1.00 0.00 O ATOM 0 H SER B 191 4.082 -0.877 -2.798 1.00 0.00 H new ATOM 0 HA SER B 191 3.778 -3.035 -4.773 1.00 0.00 H new ATOM 0 HB2 SER B 191 5.263 -0.458 -4.276 1.00 0.00 H new ATOM 0 HB3 SER B 191 6.065 -1.592 -5.344 1.00 0.00 H new ATOM 0 HG SER B 191 3.930 -0.004 -5.869 1.00 0.00 H new ATOM 1100 N LYS B 192 6.240 -3.128 -2.626 1.00 0.00 N ATOM 1101 CA LYS B 192 7.308 -4.036 -2.114 1.00 0.00 C ATOM 1102 C LYS B 192 6.668 -5.273 -1.482 1.00 0.00 C ATOM 1103 O LYS B 192 7.156 -6.378 -1.628 1.00 0.00 O ATOM 1104 CB LYS B 192 8.063 -3.221 -1.061 1.00 0.00 C ATOM 1105 CG LYS B 192 8.730 -2.014 -1.727 1.00 0.00 C ATOM 1106 CD LYS B 192 10.190 -2.346 -2.045 1.00 0.00 C ATOM 1107 CE LYS B 192 10.295 -2.863 -3.482 1.00 0.00 C ATOM 1108 NZ LYS B 192 11.756 -3.024 -3.726 1.00 0.00 N ATOM 0 H LYS B 192 6.093 -2.280 -2.078 1.00 0.00 H new ATOM 0 HA LYS B 192 7.975 -4.382 -2.903 1.00 0.00 H new ATOM 0 HB2 LYS B 192 7.376 -2.887 -0.284 1.00 0.00 H new ATOM 0 HB3 LYS B 192 8.815 -3.843 -0.576 1.00 0.00 H new ATOM 0 HG2 LYS B 192 8.199 -1.751 -2.642 1.00 0.00 H new ATOM 0 HG3 LYS B 192 8.679 -1.147 -1.068 1.00 0.00 H new ATOM 0 HD2 LYS B 192 10.811 -1.459 -1.920 1.00 0.00 H new ATOM 0 HD3 LYS B 192 10.563 -3.097 -1.349 1.00 0.00 H new ATOM 0 HE2 LYS B 192 9.768 -3.810 -3.601 1.00 0.00 H new ATOM 0 HE3 LYS B 192 9.852 -2.161 -4.188 1.00 0.00 H new ATOM 0 HZ1 LYS B 192 11.910 -3.376 -4.692 1.00 0.00 H new ATOM 0 HZ2 LYS B 192 12.230 -2.105 -3.612 1.00 0.00 H new ATOM 0 HZ3 LYS B 192 12.149 -3.703 -3.044 1.00 0.00 H new ATOM 1122 N LEU B 193 5.571 -5.092 -0.791 1.00 0.00 N ATOM 1123 CA LEU B 193 4.882 -6.255 -0.158 1.00 0.00 C ATOM 1124 C LEU B 193 4.313 -7.164 -1.251 1.00 0.00 C ATOM 1125 O LEU B 193 4.250 -8.369 -1.099 1.00 0.00 O ATOM 1126 CB LEU B 193 3.755 -5.653 0.692 1.00 0.00 C ATOM 1127 CG LEU B 193 3.792 -6.254 2.100 1.00 0.00 C ATOM 1128 CD1 LEU B 193 3.171 -5.270 3.093 1.00 0.00 C ATOM 1129 CD2 LEU B 193 2.998 -7.563 2.116 1.00 0.00 C ATOM 0 H LEU B 193 5.123 -4.188 -0.638 1.00 0.00 H new ATOM 0 HA LEU B 193 5.555 -6.858 0.452 1.00 0.00 H new ATOM 0 HB2 LEU B 193 3.866 -4.570 0.746 1.00 0.00 H new ATOM 0 HB3 LEU B 193 2.790 -5.852 0.227 1.00 0.00 H new ATOM 0 HG LEU B 193 4.826 -6.451 2.383 1.00 0.00 H new ATOM 0 HD11 LEU B 193 3.198 -5.699 4.095 1.00 0.00 H new ATOM 0 HD12 LEU B 193 3.735 -4.337 3.082 1.00 0.00 H new ATOM 0 HD13 LEU B 193 2.137 -5.072 2.811 1.00 0.00 H new ATOM 0 HD21 LEU B 193 3.024 -7.992 3.118 1.00 0.00 H new ATOM 0 HD22 LEU B 193 1.964 -7.365 1.832 1.00 0.00 H new ATOM 0 HD23 LEU B 193 3.440 -8.265 1.409 1.00 0.00 H new ATOM 1141 N LYS B 194 3.912 -6.588 -2.359 1.00 0.00 N ATOM 1142 CA LYS B 194 3.360 -7.412 -3.477 1.00 0.00 C ATOM 1143 C LYS B 194 4.469 -8.291 -4.055 1.00 0.00 C ATOM 1144 O LYS B 194 4.292 -9.479 -4.248 1.00 0.00 O ATOM 1145 CB LYS B 194 2.869 -6.407 -4.520 1.00 0.00 C ATOM 1146 CG LYS B 194 1.597 -6.940 -5.183 1.00 0.00 C ATOM 1147 CD LYS B 194 0.432 -6.858 -4.195 1.00 0.00 C ATOM 1148 CE LYS B 194 -0.876 -6.654 -4.963 1.00 0.00 C ATOM 1149 NZ LYS B 194 -1.781 -5.962 -4.003 1.00 0.00 N ATOM 0 H LYS B 194 3.944 -5.584 -2.536 1.00 0.00 H new ATOM 0 HA LYS B 194 2.555 -8.071 -3.152 1.00 0.00 H new ATOM 0 HB2 LYS B 194 2.670 -5.445 -4.048 1.00 0.00 H new ATOM 0 HB3 LYS B 194 3.641 -6.240 -5.271 1.00 0.00 H new ATOM 0 HG2 LYS B 194 1.370 -6.360 -6.078 1.00 0.00 H new ATOM 0 HG3 LYS B 194 1.745 -7.972 -5.501 1.00 0.00 H new ATOM 0 HD2 LYS B 194 0.379 -7.771 -3.602 1.00 0.00 H new ATOM 0 HD3 LYS B 194 0.589 -6.034 -3.499 1.00 0.00 H new ATOM 0 HE2 LYS B 194 -0.718 -6.054 -5.859 1.00 0.00 H new ATOM 0 HE3 LYS B 194 -1.297 -7.606 -5.286 1.00 0.00 H new ATOM 0 HZ1 LYS B 194 -2.706 -6.437 -3.994 1.00 0.00 H new ATOM 0 HZ2 LYS B 194 -1.366 -5.995 -3.050 1.00 0.00 H new ATOM 0 HZ3 LYS B 194 -1.903 -4.971 -4.294 1.00 0.00 H new ATOM 1163 N LYS B 195 5.617 -7.715 -4.315 1.00 0.00 N ATOM 1164 CA LYS B 195 6.750 -8.519 -4.863 1.00 0.00 C ATOM 1165 C LYS B 195 7.175 -9.562 -3.828 1.00 0.00 C ATOM 1166 O LYS B 195 7.617 -10.643 -4.165 1.00 0.00 O ATOM 1167 CB LYS B 195 7.877 -7.515 -5.117 1.00 0.00 C ATOM 1168 CG LYS B 195 8.916 -8.137 -6.055 1.00 0.00 C ATOM 1169 CD LYS B 195 9.458 -7.065 -7.002 1.00 0.00 C ATOM 1170 CE LYS B 195 10.195 -7.735 -8.164 1.00 0.00 C ATOM 1171 NZ LYS B 195 9.136 -8.035 -9.168 1.00 0.00 N ATOM 0 H LYS B 195 5.817 -6.725 -4.171 1.00 0.00 H new ATOM 0 HA LYS B 195 6.484 -9.052 -5.776 1.00 0.00 H new ATOM 0 HB2 LYS B 195 7.473 -6.603 -5.558 1.00 0.00 H new ATOM 0 HB3 LYS B 195 8.346 -7.233 -4.174 1.00 0.00 H new ATOM 0 HG2 LYS B 195 9.731 -8.570 -5.475 1.00 0.00 H new ATOM 0 HG3 LYS B 195 8.465 -8.948 -6.627 1.00 0.00 H new ATOM 0 HD2 LYS B 195 8.640 -6.453 -7.381 1.00 0.00 H new ATOM 0 HD3 LYS B 195 10.133 -6.398 -6.465 1.00 0.00 H new ATOM 0 HE2 LYS B 195 10.958 -7.077 -8.580 1.00 0.00 H new ATOM 0 HE3 LYS B 195 10.701 -8.644 -7.839 1.00 0.00 H new ATOM 0 HZ1 LYS B 195 9.432 -8.841 -9.754 1.00 0.00 H new ATOM 0 HZ2 LYS B 195 8.250 -8.270 -8.678 1.00 0.00 H new ATOM 0 HZ3 LYS B 195 8.986 -7.203 -9.774 1.00 0.00 H new ATOM 1185 N LYS B 196 7.026 -9.242 -2.565 1.00 0.00 N ATOM 1186 CA LYS B 196 7.401 -10.212 -1.491 1.00 0.00 C ATOM 1187 C LYS B 196 6.523 -11.459 -1.603 1.00 0.00 C ATOM 1188 O LYS B 196 6.974 -12.569 -1.392 1.00 0.00 O ATOM 1189 CB LYS B 196 7.132 -9.472 -0.175 1.00 0.00 C ATOM 1190 CG LYS B 196 7.484 -10.373 1.013 1.00 0.00 C ATOM 1191 CD LYS B 196 6.698 -9.920 2.246 1.00 0.00 C ATOM 1192 CE LYS B 196 5.201 -10.143 2.013 1.00 0.00 C ATOM 1193 NZ LYS B 196 4.622 -10.319 3.375 1.00 0.00 N ATOM 0 H LYS B 196 6.660 -8.350 -2.232 1.00 0.00 H new ATOM 0 HA LYS B 196 8.438 -10.540 -1.560 1.00 0.00 H new ATOM 0 HB2 LYS B 196 7.722 -8.557 -0.135 1.00 0.00 H new ATOM 0 HB3 LYS B 196 6.084 -9.178 -0.121 1.00 0.00 H new ATOM 0 HG2 LYS B 196 7.248 -11.411 0.779 1.00 0.00 H new ATOM 0 HG3 LYS B 196 8.554 -10.327 1.214 1.00 0.00 H new ATOM 0 HD2 LYS B 196 7.026 -10.477 3.124 1.00 0.00 H new ATOM 0 HD3 LYS B 196 6.892 -8.866 2.446 1.00 0.00 H new ATOM 0 HE2 LYS B 196 4.751 -9.294 1.499 1.00 0.00 H new ATOM 0 HE3 LYS B 196 5.024 -11.021 1.392 1.00 0.00 H new ATOM 0 HZ1 LYS B 196 3.629 -10.009 3.373 1.00 0.00 H new ATOM 0 HZ2 LYS B 196 4.671 -11.322 3.646 1.00 0.00 H new ATOM 0 HZ3 LYS B 196 5.161 -9.749 4.058 1.00 0.00 H new ATOM 1207 N GLN B 197 5.274 -11.278 -1.946 1.00 0.00 N ATOM 1208 CA GLN B 197 4.356 -12.447 -2.089 1.00 0.00 C ATOM 1209 C GLN B 197 4.851 -13.355 -3.215 1.00 0.00 C ATOM 1210 O GLN B 197 4.660 -14.557 -3.187 1.00 0.00 O ATOM 1211 CB GLN B 197 2.989 -11.852 -2.439 1.00 0.00 C ATOM 1212 CG GLN B 197 1.935 -12.964 -2.466 1.00 0.00 C ATOM 1213 CD GLN B 197 0.625 -12.445 -1.869 1.00 0.00 C ATOM 1214 OE1 GLN B 197 -0.133 -11.768 -2.535 1.00 0.00 O ATOM 1215 NE2 GLN B 197 0.325 -12.736 -0.633 1.00 0.00 N ATOM 0 H GLN B 197 4.850 -10.370 -2.134 1.00 0.00 H new ATOM 0 HA GLN B 197 4.308 -13.050 -1.182 1.00 0.00 H new ATOM 0 HB2 GLN B 197 2.713 -11.094 -1.706 1.00 0.00 H new ATOM 0 HB3 GLN B 197 3.034 -11.357 -3.409 1.00 0.00 H new ATOM 0 HG2 GLN B 197 1.772 -13.299 -3.490 1.00 0.00 H new ATOM 0 HG3 GLN B 197 2.287 -13.827 -1.901 1.00 0.00 H new ATOM 0 HE21 GLN B 197 0.961 -13.304 -0.074 1.00 0.00 H new ATOM 0 HE22 GLN B 197 -0.546 -12.395 -0.226 1.00 0.00 H new ATOM 1224 N GLN B 198 5.496 -12.785 -4.203 1.00 0.00 N ATOM 1225 CA GLN B 198 6.022 -13.607 -5.336 1.00 0.00 C ATOM 1226 C GLN B 198 7.036 -14.625 -4.813 1.00 0.00 C ATOM 1227 O GLN B 198 7.054 -15.769 -5.228 1.00 0.00 O ATOM 1228 CB GLN B 198 6.702 -12.611 -6.278 1.00 0.00 C ATOM 1229 CG GLN B 198 6.920 -13.266 -7.644 1.00 0.00 C ATOM 1230 CD GLN B 198 6.793 -12.207 -8.741 1.00 0.00 C ATOM 1231 OE1 GLN B 198 7.660 -12.079 -9.581 1.00 0.00 O ATOM 1232 NE2 GLN B 198 5.739 -11.439 -8.768 1.00 0.00 N ATOM 0 H GLN B 198 5.681 -11.784 -4.273 1.00 0.00 H new ATOM 0 HA GLN B 198 5.234 -14.165 -5.841 1.00 0.00 H new ATOM 0 HB2 GLN B 198 6.087 -11.718 -6.385 1.00 0.00 H new ATOM 0 HB3 GLN B 198 7.657 -12.292 -5.859 1.00 0.00 H new ATOM 0 HG2 GLN B 198 7.905 -13.731 -7.684 1.00 0.00 H new ATOM 0 HG3 GLN B 198 6.188 -14.058 -7.801 1.00 0.00 H new ATOM 0 HE21 GLN B 198 5.011 -11.547 -8.062 1.00 0.00 H new ATOM 0 HE22 GLN B 198 5.643 -10.730 -9.495 1.00 0.00 H new ATOM 1241 N GLN B 199 7.873 -14.212 -3.899 1.00 0.00 N ATOM 1242 CA GLN B 199 8.890 -15.150 -3.330 1.00 0.00 C ATOM 1243 C GLN B 199 8.184 -16.281 -2.581 1.00 0.00 C ATOM 1244 O GLN B 199 8.614 -17.419 -2.608 1.00 0.00 O ATOM 1245 CB GLN B 199 9.728 -14.306 -2.366 1.00 0.00 C ATOM 1246 CG GLN B 199 11.166 -14.830 -2.344 1.00 0.00 C ATOM 1247 CD GLN B 199 12.018 -14.026 -3.327 1.00 0.00 C ATOM 1248 OE1 GLN B 199 13.143 -13.677 -3.028 1.00 0.00 O ATOM 1249 NE2 GLN B 199 11.528 -13.716 -4.496 1.00 0.00 N ATOM 0 H GLN B 199 7.898 -13.265 -3.520 1.00 0.00 H new ATOM 0 HA GLN B 199 9.510 -15.608 -4.101 1.00 0.00 H new ATOM 0 HB2 GLN B 199 9.715 -13.261 -2.676 1.00 0.00 H new ATOM 0 HB3 GLN B 199 9.300 -14.346 -1.364 1.00 0.00 H new ATOM 0 HG2 GLN B 199 11.578 -14.749 -1.338 1.00 0.00 H new ATOM 0 HG3 GLN B 199 11.183 -15.887 -2.611 1.00 0.00 H new ATOM 0 HE21 GLN B 199 10.584 -14.009 -4.747 1.00 0.00 H new ATOM 0 HE22 GLN B 199 12.089 -13.181 -5.159 1.00 0.00 H new ATOM 1258 N LEU B 200 7.096 -15.973 -1.921 1.00 0.00 N ATOM 1259 CA LEU B 200 6.344 -17.025 -1.173 1.00 0.00 C ATOM 1260 C LEU B 200 5.559 -17.893 -2.157 1.00 0.00 C ATOM 1261 O LEU B 200 5.348 -19.070 -1.930 1.00 0.00 O ATOM 1262 CB LEU B 200 5.392 -16.260 -0.250 1.00 0.00 C ATOM 1263 CG LEU B 200 4.952 -17.168 0.899 1.00 0.00 C ATOM 1264 CD1 LEU B 200 6.156 -17.488 1.787 1.00 0.00 C ATOM 1265 CD2 LEU B 200 3.883 -16.453 1.730 1.00 0.00 C ATOM 0 H LEU B 200 6.696 -15.036 -1.868 1.00 0.00 H new ATOM 0 HA LEU B 200 7.002 -17.687 -0.610 1.00 0.00 H new ATOM 0 HB2 LEU B 200 5.886 -15.372 0.144 1.00 0.00 H new ATOM 0 HB3 LEU B 200 4.522 -15.918 -0.811 1.00 0.00 H new ATOM 0 HG LEU B 200 4.543 -18.094 0.495 1.00 0.00 H new ATOM 0 HD11 LEU B 200 5.842 -18.135 2.606 1.00 0.00 H new ATOM 0 HD12 LEU B 200 6.919 -17.994 1.196 1.00 0.00 H new ATOM 0 HD13 LEU B 200 6.565 -16.563 2.192 1.00 0.00 H new ATOM 0 HD21 LEU B 200 3.568 -17.098 2.550 1.00 0.00 H new ATOM 0 HD22 LEU B 200 4.295 -15.528 2.134 1.00 0.00 H new ATOM 0 HD23 LEU B 200 3.025 -16.223 1.099 1.00 0.00 H new ATOM 1277 N GLU B 201 5.133 -17.318 -3.253 1.00 0.00 N ATOM 1278 CA GLU B 201 4.367 -18.101 -4.268 1.00 0.00 C ATOM 1279 C GLU B 201 5.329 -18.957 -5.093 1.00 0.00 C ATOM 1280 O GLU B 201 4.982 -20.029 -5.551 1.00 0.00 O ATOM 1281 CB GLU B 201 3.682 -17.056 -5.149 1.00 0.00 C ATOM 1282 CG GLU B 201 2.383 -16.597 -4.484 1.00 0.00 C ATOM 1283 CD GLU B 201 1.444 -16.016 -5.542 1.00 0.00 C ATOM 1284 OE1 GLU B 201 1.866 -15.118 -6.253 1.00 0.00 O ATOM 1285 OE2 GLU B 201 0.319 -16.480 -5.626 1.00 0.00 O ATOM 0 H GLU B 201 5.283 -16.337 -3.489 1.00 0.00 H new ATOM 0 HA GLU B 201 3.643 -18.777 -3.813 1.00 0.00 H new ATOM 0 HB2 GLU B 201 4.345 -16.204 -5.303 1.00 0.00 H new ATOM 0 HB3 GLU B 201 3.470 -17.477 -6.132 1.00 0.00 H new ATOM 0 HG2 GLU B 201 1.904 -17.436 -3.980 1.00 0.00 H new ATOM 0 HG3 GLU B 201 2.597 -15.847 -3.722 1.00 0.00 H new