USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=8 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 -150:sc= 0.00111 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -1.27 K(o=-1.3,f=-0.26) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 83 LYS NZ :NH3+ 162:sc= 0.0693 (180deg=-0.32) USER MOD Single : A 84 HIS : no HD1:sc= -0.0316 X(o=-0.032,f=-0.16) USER MOD Single : A 85 GLN : amide:sc= -0.341 X(o=-0.34,f=-0.078) USER MOD Single : A 89 GLN : amide:sc= -0.252 X(o=-0.25,f=0) USER MOD Single : B 168 SER OG : rot -5:sc= 1.09 USER MOD Single : B 169 LYS NZ :NH3+ -118:sc= 0 (180deg=-0.0594) USER MOD Single : B 174 GLN : amide:sc= -0.27 K(o=-0.27,f=-2.4!) USER MOD Single : B 175 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : B 176 MET CE :methyl 161:sc= -6.68! (180deg=-8.61!) USER MOD Single : B 184 THR OG1 : rot 84:sc= -0.0515 USER MOD Single : B 185 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 188 GLN : amide:sc= -0.298 X(o=-0.3,f=-0.23) USER MOD Single : B 189 GLN : amide:sc= -0.165 X(o=-0.17,f=-0.0025) USER MOD Single : B 191 SER OG : rot 180:sc= 0 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 196 LYS NZ :NH3+ 166:sc= -0.259 (180deg=-0.486) USER MOD Single : B 197 GLN : amide:sc= -1.74 K(o=-1.7,f=-8.1!) USER MOD Single : B 198 GLN : amide:sc= -0.23 X(o=-0.23,f=-0.047) USER MOD Single : B 199 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 161 N LEU A 62 0.252 -18.660 2.221 1.00 0.00 N ATOM 162 CA LEU A 62 -0.026 -17.527 1.286 1.00 0.00 C ATOM 163 C LEU A 62 -1.264 -16.754 1.747 1.00 0.00 C ATOM 164 O LEU A 62 -1.402 -15.574 1.484 1.00 0.00 O ATOM 165 CB LEU A 62 -0.278 -18.179 -0.075 1.00 0.00 C ATOM 166 CG LEU A 62 0.280 -17.284 -1.182 1.00 0.00 C ATOM 167 CD1 LEU A 62 1.708 -17.716 -1.517 1.00 0.00 C ATOM 168 CD2 LEU A 62 -0.596 -17.412 -2.431 1.00 0.00 C ATOM 0 HA LEU A 62 0.799 -16.816 1.247 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.195 -19.160 -0.113 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.347 -18.335 -0.223 1.00 0.00 H new ATOM 0 HG LEU A 62 0.284 -16.248 -0.843 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.106 -17.078 -2.306 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.333 -17.626 -0.629 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.705 -18.752 -1.855 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.199 -16.774 -3.221 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.599 -18.448 -2.769 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.615 -17.105 -2.194 1.00 0.00 H new ATOM 180 N GLU A 63 -2.164 -17.413 2.434 1.00 0.00 N ATOM 181 CA GLU A 63 -3.398 -16.721 2.919 1.00 0.00 C ATOM 182 C GLU A 63 -3.048 -15.743 4.041 1.00 0.00 C ATOM 183 O GLU A 63 -3.707 -14.736 4.225 1.00 0.00 O ATOM 184 CB GLU A 63 -4.308 -17.835 3.441 1.00 0.00 C ATOM 185 CG GLU A 63 -5.771 -17.442 3.229 1.00 0.00 C ATOM 186 CD GLU A 63 -6.232 -17.912 1.848 1.00 0.00 C ATOM 187 OE1 GLU A 63 -6.478 -19.097 1.700 1.00 0.00 O ATOM 188 OE2 GLU A 63 -6.330 -17.078 0.963 1.00 0.00 O ATOM 0 H GLU A 63 -2.097 -18.401 2.680 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.880 -16.143 2.131 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.092 -18.768 2.921 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.117 -18.009 4.500 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.394 -17.889 4.003 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.884 -16.361 3.313 1.00 0.00 H new ATOM 195 N GLU A 64 -2.014 -16.032 4.790 1.00 0.00 N ATOM 196 CA GLU A 64 -1.612 -15.119 5.904 1.00 0.00 C ATOM 197 C GLU A 64 -0.934 -13.872 5.338 1.00 0.00 C ATOM 198 O GLU A 64 -1.159 -12.769 5.798 1.00 0.00 O ATOM 199 CB GLU A 64 -0.631 -15.927 6.755 1.00 0.00 C ATOM 200 CG GLU A 64 -1.406 -16.736 7.798 1.00 0.00 C ATOM 201 CD GLU A 64 -0.448 -17.203 8.896 1.00 0.00 C ATOM 202 OE1 GLU A 64 0.582 -17.761 8.558 1.00 0.00 O ATOM 203 OE2 GLU A 64 -0.762 -16.992 10.056 1.00 0.00 O ATOM 0 H GLU A 64 -1.430 -16.861 4.678 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.467 -14.781 6.490 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.048 -16.595 6.121 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.075 -15.259 7.248 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.201 -16.127 8.229 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.883 -17.595 7.327 1.00 0.00 H new ATOM 210 N THR A 65 -0.115 -14.044 4.336 1.00 0.00 N ATOM 211 CA THR A 65 0.580 -12.871 3.723 1.00 0.00 C ATOM 212 C THR A 65 -0.425 -12.030 2.934 1.00 0.00 C ATOM 213 O THR A 65 -0.280 -10.828 2.812 1.00 0.00 O ATOM 214 CB THR A 65 1.635 -13.470 2.787 1.00 0.00 C ATOM 215 OG1 THR A 65 2.327 -14.510 3.462 1.00 0.00 O ATOM 216 CG2 THR A 65 2.625 -12.381 2.370 1.00 0.00 C ATOM 0 H THR A 65 0.104 -14.946 3.914 1.00 0.00 H new ATOM 0 HA THR A 65 1.032 -12.219 4.470 1.00 0.00 H new ATOM 0 HB THR A 65 1.148 -13.874 1.899 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.243 -14.570 3.118 1.00 0.00 H new ATOM 0 HG21 THR A 65 3.375 -12.807 1.704 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.092 -11.583 1.853 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.114 -11.975 3.256 1.00 0.00 H new ATOM 224 N LYS A 66 -1.446 -12.656 2.405 1.00 0.00 N ATOM 225 CA LYS A 66 -2.473 -11.899 1.628 1.00 0.00 C ATOM 226 C LYS A 66 -3.335 -11.064 2.578 1.00 0.00 C ATOM 227 O LYS A 66 -3.852 -10.026 2.208 1.00 0.00 O ATOM 228 CB LYS A 66 -3.320 -12.965 0.931 1.00 0.00 C ATOM 229 CG LYS A 66 -2.803 -13.179 -0.493 1.00 0.00 C ATOM 230 CD LYS A 66 -3.043 -11.913 -1.319 1.00 0.00 C ATOM 231 CE LYS A 66 -3.191 -12.286 -2.796 1.00 0.00 C ATOM 232 NZ LYS A 66 -4.658 -12.427 -3.012 1.00 0.00 N ATOM 0 H LYS A 66 -1.612 -13.660 2.478 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.024 -11.211 0.912 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.277 -13.900 1.489 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.365 -12.656 0.907 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.739 -13.417 -0.473 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.311 -14.027 -0.952 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.941 -11.403 -0.970 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.212 -11.219 -1.190 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.769 -11.516 -3.442 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.667 -13.215 -3.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.840 -12.682 -4.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.031 -13.172 -2.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -5.129 -11.526 -2.795 1.00 0.00 H new ATOM 246 N GLU A 67 -3.488 -11.509 3.800 1.00 0.00 N ATOM 247 CA GLU A 67 -4.314 -10.743 4.782 1.00 0.00 C ATOM 248 C GLU A 67 -3.595 -9.450 5.174 1.00 0.00 C ATOM 249 O GLU A 67 -4.216 -8.429 5.403 1.00 0.00 O ATOM 250 CB GLU A 67 -4.463 -11.664 5.995 1.00 0.00 C ATOM 251 CG GLU A 67 -5.882 -11.547 6.557 1.00 0.00 C ATOM 252 CD GLU A 67 -5.909 -10.485 7.658 1.00 0.00 C ATOM 253 OE1 GLU A 67 -5.211 -9.495 7.515 1.00 0.00 O ATOM 254 OE2 GLU A 67 -6.629 -10.679 8.623 1.00 0.00 O ATOM 0 H GLU A 67 -3.076 -12.370 4.160 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.283 -10.460 4.372 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.258 -12.696 5.708 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.735 -11.395 6.760 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.578 -11.280 5.762 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.207 -12.508 6.956 1.00 0.00 H new ATOM 261 N GLN A 68 -2.290 -9.490 5.244 1.00 0.00 N ATOM 262 CA GLN A 68 -1.519 -8.264 5.613 1.00 0.00 C ATOM 263 C GLN A 68 -1.519 -7.283 4.441 1.00 0.00 C ATOM 264 O GLN A 68 -1.599 -6.083 4.622 1.00 0.00 O ATOM 265 CB GLN A 68 -0.098 -8.751 5.909 1.00 0.00 C ATOM 266 CG GLN A 68 0.472 -7.980 7.101 1.00 0.00 C ATOM 267 CD GLN A 68 0.634 -6.506 6.727 1.00 0.00 C ATOM 268 OE1 GLN A 68 1.648 -6.111 6.187 1.00 0.00 O ATOM 269 NE2 GLN A 68 -0.331 -5.668 6.995 1.00 0.00 N ATOM 0 H GLN A 68 -1.724 -10.319 5.062 1.00 0.00 H new ATOM 0 HA GLN A 68 -1.950 -7.745 6.470 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -0.107 -9.819 6.125 1.00 0.00 H new ATOM 0 HB3 GLN A 68 0.536 -8.608 5.034 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -0.191 -8.077 7.961 1.00 0.00 H new ATOM 0 HG3 GLN A 68 1.435 -8.400 7.392 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -1.183 -5.999 7.448 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -0.233 -4.682 6.751 1.00 0.00 H new ATOM 278 N ILE A 69 -1.439 -7.793 3.240 1.00 0.00 N ATOM 279 CA ILE A 69 -1.445 -6.902 2.042 1.00 0.00 C ATOM 280 C ILE A 69 -2.827 -6.259 1.886 1.00 0.00 C ATOM 281 O ILE A 69 -2.959 -5.174 1.351 1.00 0.00 O ATOM 282 CB ILE A 69 -1.130 -7.818 0.852 1.00 0.00 C ATOM 283 CG1 ILE A 69 0.241 -8.468 1.057 1.00 0.00 C ATOM 284 CG2 ILE A 69 -1.110 -6.997 -0.440 1.00 0.00 C ATOM 285 CD1 ILE A 69 0.383 -9.670 0.123 1.00 0.00 C ATOM 0 H ILE A 69 -1.370 -8.790 3.037 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.720 -6.092 2.120 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.896 -8.590 0.781 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.031 -7.744 0.858 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.353 -8.785 2.094 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.886 -7.651 -1.283 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.084 -6.532 -0.590 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.346 -6.223 -0.368 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.359 -10.132 0.270 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.399 -10.397 0.344 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.290 -9.340 -0.912 1.00 0.00 H new ATOM 297 N LEU A 70 -3.855 -6.922 2.356 1.00 0.00 N ATOM 298 CA LEU A 70 -5.233 -6.352 2.245 1.00 0.00 C ATOM 299 C LEU A 70 -5.355 -5.106 3.126 1.00 0.00 C ATOM 300 O LEU A 70 -6.021 -4.151 2.774 1.00 0.00 O ATOM 301 CB LEU A 70 -6.169 -7.455 2.744 1.00 0.00 C ATOM 302 CG LEU A 70 -7.458 -7.442 1.921 1.00 0.00 C ATOM 303 CD1 LEU A 70 -8.080 -8.839 1.922 1.00 0.00 C ATOM 304 CD2 LEU A 70 -8.445 -6.447 2.537 1.00 0.00 C ATOM 0 H LEU A 70 -3.799 -7.833 2.812 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.474 -6.051 1.225 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.681 -8.426 2.660 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.397 -7.303 3.799 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.231 -7.146 0.897 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.999 -8.829 1.335 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.378 -9.550 1.485 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.307 -9.136 2.946 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.364 -6.437 1.951 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -8.670 -6.745 3.561 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.004 -5.450 2.538 1.00 0.00 H new ATOM 316 N LYS A 71 -4.709 -5.110 4.267 1.00 0.00 N ATOM 317 CA LYS A 71 -4.779 -3.923 5.173 1.00 0.00 C ATOM 318 C LYS A 71 -4.014 -2.750 4.557 1.00 0.00 C ATOM 319 O LYS A 71 -4.349 -1.599 4.769 1.00 0.00 O ATOM 320 CB LYS A 71 -4.116 -4.371 6.477 1.00 0.00 C ATOM 321 CG LYS A 71 -4.996 -5.414 7.166 1.00 0.00 C ATOM 322 CD LYS A 71 -4.700 -5.423 8.667 1.00 0.00 C ATOM 323 CE LYS A 71 -5.960 -5.831 9.434 1.00 0.00 C ATOM 324 NZ LYS A 71 -5.505 -6.046 10.835 1.00 0.00 N ATOM 0 H LYS A 71 -4.138 -5.883 4.609 1.00 0.00 H new ATOM 0 HA LYS A 71 -5.803 -3.588 5.336 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.131 -4.790 6.271 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.967 -3.514 7.134 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.048 -5.188 6.994 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.808 -6.400 6.742 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.888 -6.118 8.884 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.369 -4.436 8.989 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.723 -5.054 9.382 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.399 -6.738 9.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.315 -6.329 11.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.784 -6.795 10.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.098 -5.164 11.207 1.00 0.00 H new ATOM 338 N LEU A 72 -2.994 -3.037 3.790 1.00 0.00 N ATOM 339 CA LEU A 72 -2.203 -1.945 3.146 1.00 0.00 C ATOM 340 C LEU A 72 -3.030 -1.282 2.042 1.00 0.00 C ATOM 341 O LEU A 72 -2.858 -0.115 1.743 1.00 0.00 O ATOM 342 CB LEU A 72 -0.970 -2.637 2.552 1.00 0.00 C ATOM 343 CG LEU A 72 0.241 -2.478 3.486 1.00 0.00 C ATOM 344 CD1 LEU A 72 0.566 -0.992 3.679 1.00 0.00 C ATOM 345 CD2 LEU A 72 -0.065 -3.118 4.845 1.00 0.00 C ATOM 0 H LEU A 72 -2.674 -3.983 3.581 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.926 -1.163 3.853 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.180 -3.695 2.396 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.742 -2.210 1.575 1.00 0.00 H new ATOM 0 HG LEU A 72 1.101 -2.975 3.037 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.425 -0.891 4.342 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.798 -0.542 2.714 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.293 -0.486 4.119 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.796 -3.003 5.503 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.931 -2.629 5.291 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.278 -4.178 4.708 1.00 0.00 H new ATOM 357 N GLU A 73 -3.928 -2.019 1.437 1.00 0.00 N ATOM 358 CA GLU A 73 -4.774 -1.436 0.351 1.00 0.00 C ATOM 359 C GLU A 73 -5.753 -0.417 0.937 1.00 0.00 C ATOM 360 O GLU A 73 -6.052 0.591 0.325 1.00 0.00 O ATOM 361 CB GLU A 73 -5.530 -2.622 -0.254 1.00 0.00 C ATOM 362 CG GLU A 73 -4.759 -3.157 -1.462 1.00 0.00 C ATOM 363 CD GLU A 73 -3.470 -3.831 -0.989 1.00 0.00 C ATOM 364 OE1 GLU A 73 -2.602 -3.126 -0.500 1.00 0.00 O ATOM 365 OE2 GLU A 73 -3.373 -5.039 -1.123 1.00 0.00 O ATOM 0 H GLU A 73 -4.112 -3.000 1.649 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.179 -0.913 -0.398 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -5.650 -3.408 0.491 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.531 -2.313 -0.556 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.374 -3.870 -2.012 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.525 -2.342 -2.147 1.00 0.00 H new ATOM 372 N GLU A 74 -6.247 -0.675 2.120 1.00 0.00 N ATOM 373 CA GLU A 74 -7.205 0.278 2.759 1.00 0.00 C ATOM 374 C GLU A 74 -6.458 1.525 3.232 1.00 0.00 C ATOM 375 O GLU A 74 -6.995 2.617 3.240 1.00 0.00 O ATOM 376 CB GLU A 74 -7.798 -0.479 3.952 1.00 0.00 C ATOM 377 CG GLU A 74 -9.205 -0.970 3.603 1.00 0.00 C ATOM 378 CD GLU A 74 -9.493 -2.271 4.355 1.00 0.00 C ATOM 379 OE1 GLU A 74 -9.949 -2.192 5.484 1.00 0.00 O ATOM 380 OE2 GLU A 74 -9.253 -3.324 3.789 1.00 0.00 O ATOM 0 H GLU A 74 -6.029 -1.505 2.672 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.981 0.608 2.069 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.161 -1.325 4.211 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.836 0.172 4.826 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.942 -0.213 3.869 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.289 -1.132 2.528 1.00 0.00 H new ATOM 387 N LYS A 75 -5.220 1.366 3.619 1.00 0.00 N ATOM 388 CA LYS A 75 -4.420 2.536 4.089 1.00 0.00 C ATOM 389 C LYS A 75 -3.998 3.390 2.891 1.00 0.00 C ATOM 390 O LYS A 75 -3.926 4.601 2.977 1.00 0.00 O ATOM 391 CB LYS A 75 -3.195 1.935 4.781 1.00 0.00 C ATOM 392 CG LYS A 75 -2.673 2.913 5.836 1.00 0.00 C ATOM 393 CD LYS A 75 -3.581 2.869 7.067 1.00 0.00 C ATOM 394 CE LYS A 75 -3.535 4.219 7.784 1.00 0.00 C ATOM 395 NZ LYS A 75 -4.917 4.431 8.295 1.00 0.00 N ATOM 0 H LYS A 75 -4.726 0.473 3.630 1.00 0.00 H new ATOM 0 HA LYS A 75 -4.984 3.181 4.762 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.457 0.986 5.248 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.416 1.725 4.048 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.652 2.653 6.115 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.644 3.923 5.428 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.604 2.638 6.769 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.259 2.076 7.742 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.810 4.209 8.598 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -3.239 5.017 7.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.965 5.339 8.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.584 4.443 7.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.169 3.660 8.945 1.00 0.00 H new ATOM 409 N LEU A 76 -3.727 2.763 1.774 1.00 0.00 N ATOM 410 CA LEU A 76 -3.316 3.531 0.561 1.00 0.00 C ATOM 411 C LEU A 76 -4.534 4.239 -0.039 1.00 0.00 C ATOM 412 O LEU A 76 -4.420 5.298 -0.627 1.00 0.00 O ATOM 413 CB LEU A 76 -2.766 2.487 -0.413 1.00 0.00 C ATOM 414 CG LEU A 76 -2.078 3.191 -1.583 1.00 0.00 C ATOM 415 CD1 LEU A 76 -0.642 3.545 -1.194 1.00 0.00 C ATOM 416 CD2 LEU A 76 -2.062 2.261 -2.797 1.00 0.00 C ATOM 0 H LEU A 76 -3.773 1.752 1.650 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.574 4.297 0.786 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.059 1.834 0.099 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.575 1.855 -0.780 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.622 4.103 -1.829 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.152 4.047 -2.028 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.652 4.207 -0.328 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.097 2.634 -0.948 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.572 2.761 -3.632 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.518 1.350 -2.550 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.085 2.008 -3.075 1.00 0.00 H new ATOM 428 N LEU A 77 -5.697 3.660 0.117 1.00 0.00 N ATOM 429 CA LEU A 77 -6.933 4.294 -0.431 1.00 0.00 C ATOM 430 C LEU A 77 -7.333 5.483 0.443 1.00 0.00 C ATOM 431 O LEU A 77 -7.817 6.488 -0.044 1.00 0.00 O ATOM 432 CB LEU A 77 -8.005 3.204 -0.380 1.00 0.00 C ATOM 433 CG LEU A 77 -8.983 3.394 -1.539 1.00 0.00 C ATOM 434 CD1 LEU A 77 -8.463 2.657 -2.774 1.00 0.00 C ATOM 435 CD2 LEU A 77 -10.351 2.831 -1.149 1.00 0.00 C ATOM 0 H LEU A 77 -5.844 2.774 0.601 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.792 4.669 -1.445 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.541 2.220 -0.440 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.538 3.248 0.570 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.077 4.457 -1.763 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -9.161 2.793 -3.600 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.488 3.057 -3.053 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.368 1.594 -2.551 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -11.049 2.966 -1.975 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.257 1.769 -0.924 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.723 3.356 -0.270 1.00 0.00 H new ATOM 447 N ALA A 78 -7.121 5.376 1.728 1.00 0.00 N ATOM 448 CA ALA A 78 -7.473 6.501 2.647 1.00 0.00 C ATOM 449 C ALA A 78 -6.532 7.683 2.402 1.00 0.00 C ATOM 450 O ALA A 78 -6.899 8.828 2.584 1.00 0.00 O ATOM 451 CB ALA A 78 -7.284 5.947 4.060 1.00 0.00 C ATOM 0 H ALA A 78 -6.718 4.557 2.183 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.491 6.859 2.491 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.525 6.720 4.789 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.943 5.092 4.207 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -6.248 5.634 4.192 1.00 0.00 H new ATOM 457 N LEU A 79 -5.323 7.405 1.985 1.00 0.00 N ATOM 458 CA LEU A 79 -4.344 8.505 1.716 1.00 0.00 C ATOM 459 C LEU A 79 -4.773 9.289 0.473 1.00 0.00 C ATOM 460 O LEU A 79 -4.729 10.504 0.451 1.00 0.00 O ATOM 461 CB LEU A 79 -3.000 7.802 1.478 1.00 0.00 C ATOM 462 CG LEU A 79 -2.068 8.023 2.675 1.00 0.00 C ATOM 463 CD1 LEU A 79 -2.693 7.422 3.938 1.00 0.00 C ATOM 464 CD2 LEU A 79 -0.726 7.341 2.404 1.00 0.00 C ATOM 0 H LEU A 79 -4.970 6.463 1.819 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.282 9.217 2.539 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.161 6.735 1.326 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.536 8.187 0.570 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.917 9.093 2.820 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.026 7.582 4.785 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.651 7.903 4.134 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.847 6.353 3.794 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.061 7.496 3.253 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.884 6.273 2.257 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.276 7.768 1.508 1.00 0.00 H new ATOM 476 N GLN A 80 -5.191 8.598 -0.557 1.00 0.00 N ATOM 477 CA GLN A 80 -5.630 9.297 -1.803 1.00 0.00 C ATOM 478 C GLN A 80 -6.905 10.098 -1.529 1.00 0.00 C ATOM 479 O GLN A 80 -7.156 11.114 -2.150 1.00 0.00 O ATOM 480 CB GLN A 80 -5.903 8.186 -2.819 1.00 0.00 C ATOM 481 CG GLN A 80 -4.587 7.763 -3.477 1.00 0.00 C ATOM 482 CD GLN A 80 -4.806 6.476 -4.275 1.00 0.00 C ATOM 483 OE1 GLN A 80 -5.879 6.245 -4.795 1.00 0.00 O ATOM 484 NE2 GLN A 80 -3.825 5.623 -4.397 1.00 0.00 N ATOM 0 H GLN A 80 -5.247 7.580 -0.589 1.00 0.00 H new ATOM 0 HA GLN A 80 -4.879 9.998 -2.168 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -6.366 7.332 -2.325 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -6.605 8.535 -3.576 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -4.226 8.554 -4.134 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -3.822 7.606 -2.717 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -2.924 5.817 -3.961 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -3.960 4.763 -4.929 1.00 0.00 H new ATOM 493 N GLU A 81 -7.707 9.649 -0.597 1.00 0.00 N ATOM 494 CA GLU A 81 -8.968 10.381 -0.270 1.00 0.00 C ATOM 495 C GLU A 81 -8.635 11.710 0.409 1.00 0.00 C ATOM 496 O GLU A 81 -9.355 12.682 0.278 1.00 0.00 O ATOM 497 CB GLU A 81 -9.734 9.465 0.686 1.00 0.00 C ATOM 498 CG GLU A 81 -10.430 8.361 -0.111 1.00 0.00 C ATOM 499 CD GLU A 81 -11.439 7.642 0.786 1.00 0.00 C ATOM 500 OE1 GLU A 81 -11.036 6.721 1.479 1.00 0.00 O ATOM 501 OE2 GLU A 81 -12.598 8.022 0.765 1.00 0.00 O ATOM 0 H GLU A 81 -7.542 8.806 -0.048 1.00 0.00 H new ATOM 0 HA GLU A 81 -9.555 10.611 -1.159 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.050 9.027 1.413 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -10.469 10.041 1.247 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -10.936 8.787 -0.977 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -9.694 7.652 -0.489 1.00 0.00 H new ATOM 508 N GLU A 82 -7.543 11.757 1.129 1.00 0.00 N ATOM 509 CA GLU A 82 -7.150 13.025 1.816 1.00 0.00 C ATOM 510 C GLU A 82 -6.677 14.047 0.782 1.00 0.00 C ATOM 511 O GLU A 82 -7.104 15.187 0.785 1.00 0.00 O ATOM 512 CB GLU A 82 -6.005 12.639 2.759 1.00 0.00 C ATOM 513 CG GLU A 82 -6.523 12.571 4.198 1.00 0.00 C ATOM 514 CD GLU A 82 -6.539 13.976 4.803 1.00 0.00 C ATOM 515 OE1 GLU A 82 -5.492 14.600 4.828 1.00 0.00 O ATOM 516 OE2 GLU A 82 -7.599 14.403 5.231 1.00 0.00 O ATOM 0 H GLU A 82 -6.907 10.973 1.271 1.00 0.00 H new ATOM 0 HA GLU A 82 -7.980 13.476 2.360 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.589 11.675 2.466 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.199 13.369 2.686 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -7.526 12.145 4.215 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.888 11.915 4.793 1.00 0.00 H new ATOM 523 N LYS A 83 -5.809 13.642 -0.111 1.00 0.00 N ATOM 524 CA LYS A 83 -5.317 14.587 -1.159 1.00 0.00 C ATOM 525 C LYS A 83 -6.483 15.011 -2.055 1.00 0.00 C ATOM 526 O LYS A 83 -6.500 16.101 -2.593 1.00 0.00 O ATOM 527 CB LYS A 83 -4.277 13.802 -1.962 1.00 0.00 C ATOM 528 CG LYS A 83 -3.669 14.706 -3.036 1.00 0.00 C ATOM 529 CD LYS A 83 -2.302 14.160 -3.452 1.00 0.00 C ATOM 530 CE LYS A 83 -1.920 14.727 -4.820 1.00 0.00 C ATOM 531 NZ LYS A 83 -1.506 16.133 -4.551 1.00 0.00 N ATOM 0 H LYS A 83 -5.421 12.700 -0.159 1.00 0.00 H new ATOM 0 HA LYS A 83 -4.887 15.493 -0.732 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.495 13.431 -1.299 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -4.742 12.932 -2.425 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -4.331 14.756 -3.901 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -3.566 15.722 -2.655 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.550 14.431 -2.711 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -2.331 13.071 -3.493 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -1.109 14.156 -5.272 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -2.761 14.688 -5.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.952 16.492 -5.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -2.351 16.725 -4.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -0.925 16.165 -3.689 1.00 0.00 H new ATOM 545 N HIS A 84 -7.460 14.152 -2.210 1.00 0.00 N ATOM 546 CA HIS A 84 -8.637 14.496 -3.065 1.00 0.00 C ATOM 547 C HIS A 84 -9.425 15.645 -2.431 1.00 0.00 C ATOM 548 O HIS A 84 -10.043 16.436 -3.118 1.00 0.00 O ATOM 549 CB HIS A 84 -9.487 13.225 -3.114 1.00 0.00 C ATOM 550 CG HIS A 84 -10.539 13.366 -4.180 1.00 0.00 C ATOM 551 ND1 HIS A 84 -10.225 13.694 -5.489 1.00 0.00 N ATOM 552 CD2 HIS A 84 -11.904 13.225 -4.147 1.00 0.00 C ATOM 553 CE1 HIS A 84 -11.376 13.740 -6.184 1.00 0.00 C ATOM 554 NE2 HIS A 84 -12.431 13.463 -5.413 1.00 0.00 N ATOM 0 H HIS A 84 -7.493 13.227 -1.781 1.00 0.00 H new ATOM 0 HA HIS A 84 -8.341 14.820 -4.063 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -8.856 12.361 -3.323 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -9.956 13.051 -2.146 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -12.482 12.968 -3.271 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -11.439 13.973 -7.237 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -13.412 13.432 -5.692 1.00 0.00 H new ATOM 562 N GLN A 85 -9.403 15.740 -1.126 1.00 0.00 N ATOM 563 CA GLN A 85 -10.147 16.840 -0.439 1.00 0.00 C ATOM 564 C GLN A 85 -9.550 18.194 -0.829 1.00 0.00 C ATOM 565 O GLN A 85 -10.262 19.154 -1.057 1.00 0.00 O ATOM 566 CB GLN A 85 -9.963 16.583 1.058 1.00 0.00 C ATOM 567 CG GLN A 85 -10.749 15.334 1.462 1.00 0.00 C ATOM 568 CD GLN A 85 -12.241 15.667 1.522 1.00 0.00 C ATOM 569 OE1 GLN A 85 -12.739 16.095 2.544 1.00 0.00 O ATOM 570 NE2 GLN A 85 -12.980 15.486 0.461 1.00 0.00 N ATOM 0 H GLN A 85 -8.902 15.104 -0.506 1.00 0.00 H new ATOM 0 HA GLN A 85 -11.201 16.860 -0.715 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.906 16.450 1.288 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -10.308 17.444 1.631 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.573 14.533 0.744 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.407 14.974 2.432 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -12.561 15.127 -0.397 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -13.976 15.704 0.490 1.00 0.00 H new ATOM 579 N LEU A 86 -8.245 18.274 -0.909 1.00 0.00 N ATOM 580 CA LEU A 86 -7.589 19.564 -1.289 1.00 0.00 C ATOM 581 C LEU A 86 -8.050 19.997 -2.683 1.00 0.00 C ATOM 582 O LEU A 86 -8.179 21.173 -2.965 1.00 0.00 O ATOM 583 CB LEU A 86 -6.087 19.269 -1.290 1.00 0.00 C ATOM 584 CG LEU A 86 -5.531 19.440 0.125 1.00 0.00 C ATOM 585 CD1 LEU A 86 -4.406 18.431 0.358 1.00 0.00 C ATOM 586 CD2 LEU A 86 -4.984 20.861 0.288 1.00 0.00 C ATOM 0 H LEU A 86 -7.605 17.501 -0.727 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.842 20.371 -0.602 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.905 18.254 -1.643 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.574 19.942 -1.977 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.326 19.270 0.851 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.010 18.554 1.366 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.795 17.419 0.241 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.610 18.600 -0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.587 20.985 1.296 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.189 21.030 -0.438 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.786 21.581 0.123 1.00 0.00 H new ATOM 598 N PHE A 87 -8.303 19.051 -3.553 1.00 0.00 N ATOM 599 CA PHE A 87 -8.764 19.402 -4.933 1.00 0.00 C ATOM 600 C PHE A 87 -10.120 20.100 -4.863 1.00 0.00 C ATOM 601 O PHE A 87 -10.331 21.129 -5.478 1.00 0.00 O ATOM 602 CB PHE A 87 -8.881 18.069 -5.674 1.00 0.00 C ATOM 603 CG PHE A 87 -7.585 17.774 -6.391 1.00 0.00 C ATOM 604 CD1 PHE A 87 -6.443 17.428 -5.658 1.00 0.00 C ATOM 605 CD2 PHE A 87 -7.526 17.848 -7.788 1.00 0.00 C ATOM 606 CE1 PHE A 87 -5.242 17.156 -6.323 1.00 0.00 C ATOM 607 CE2 PHE A 87 -6.324 17.575 -8.452 1.00 0.00 C ATOM 608 CZ PHE A 87 -5.182 17.228 -7.720 1.00 0.00 C ATOM 0 H PHE A 87 -8.211 18.052 -3.368 1.00 0.00 H new ATOM 0 HA PHE A 87 -8.077 20.081 -5.439 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -9.110 17.269 -4.970 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -9.703 18.109 -6.389 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.489 17.371 -4.580 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -8.407 18.115 -8.353 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -4.361 16.890 -5.758 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.278 17.632 -9.529 1.00 0.00 H new ATOM 0 HZ PHE A 87 -4.255 17.016 -8.233 1.00 0.00 H new ATOM 618 N LEU A 88 -11.034 19.551 -4.109 1.00 0.00 N ATOM 619 CA LEU A 88 -12.382 20.181 -3.980 1.00 0.00 C ATOM 620 C LEU A 88 -12.256 21.525 -3.257 1.00 0.00 C ATOM 621 O LEU A 88 -13.039 22.431 -3.469 1.00 0.00 O ATOM 622 CB LEU A 88 -13.212 19.200 -3.152 1.00 0.00 C ATOM 623 CG LEU A 88 -13.852 18.164 -4.078 1.00 0.00 C ATOM 624 CD1 LEU A 88 -14.481 17.049 -3.242 1.00 0.00 C ATOM 625 CD2 LEU A 88 -14.935 18.838 -4.924 1.00 0.00 C ATOM 0 H LEU A 88 -10.906 18.691 -3.575 1.00 0.00 H new ATOM 0 HA LEU A 88 -12.843 20.375 -4.948 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -12.580 18.704 -2.416 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -13.984 19.736 -2.600 1.00 0.00 H new ATOM 0 HG LEU A 88 -13.089 17.741 -4.731 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -14.937 16.312 -3.903 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -13.711 16.569 -2.638 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -15.244 17.471 -2.588 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -15.392 18.101 -5.584 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -15.697 19.261 -4.270 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -14.488 19.633 -5.521 1.00 0.00 H new ATOM 637 N GLN A 89 -11.269 21.654 -2.406 1.00 0.00 N ATOM 638 CA GLN A 89 -11.073 22.932 -1.663 1.00 0.00 C ATOM 639 C GLN A 89 -9.944 23.762 -2.293 1.00 0.00 C ATOM 640 O GLN A 89 -9.473 24.716 -1.704 1.00 0.00 O ATOM 641 CB GLN A 89 -10.688 22.503 -0.246 1.00 0.00 C ATOM 642 CG GLN A 89 -10.795 23.697 0.707 1.00 0.00 C ATOM 643 CD GLN A 89 -9.642 23.660 1.717 1.00 0.00 C ATOM 644 OE1 GLN A 89 -9.113 24.689 2.090 1.00 0.00 O ATOM 645 NE2 GLN A 89 -9.227 22.510 2.178 1.00 0.00 N ATOM 0 H GLN A 89 -10.588 20.924 -2.194 1.00 0.00 H new ATOM 0 HA GLN A 89 -11.966 23.556 -1.682 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -11.342 21.698 0.090 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -9.671 22.111 -0.239 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -10.766 24.629 0.142 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -11.751 23.671 1.231 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -9.670 21.646 1.866 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -8.460 22.477 2.850 1.00 0.00 H new ATOM 654 N LEU A 90 -9.505 23.411 -3.483 1.00 0.00 N ATOM 655 CA LEU A 90 -8.404 24.187 -4.140 1.00 0.00 C ATOM 656 C LEU A 90 -8.814 25.654 -4.308 1.00 0.00 C ATOM 657 O LEU A 90 -8.140 26.505 -3.751 1.00 0.00 O ATOM 658 CB LEU A 90 -8.204 23.527 -5.507 1.00 0.00 C ATOM 659 CG LEU A 90 -7.042 24.205 -6.237 1.00 0.00 C ATOM 660 CD1 LEU A 90 -5.716 23.797 -5.588 1.00 0.00 C ATOM 661 CD2 LEU A 90 -7.045 23.773 -7.706 1.00 0.00 C ATOM 662 OXT LEU A 90 -9.796 25.900 -4.990 1.00 0.00 O ATOM 0 H LEU A 90 -9.861 22.623 -4.024 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.489 24.178 -3.548 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.998 22.464 -5.383 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -9.116 23.608 -6.099 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.156 25.287 -6.173 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -4.891 24.282 -6.110 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.713 24.104 -4.542 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.599 22.715 -5.649 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.218 24.254 -8.229 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.932 22.691 -7.767 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.987 24.066 -8.170 1.00 0.00 H new ATOM 675 N GLY B 166 -11.328 29.069 -1.450 1.00 0.00 N ATOM 676 CA GLY B 166 -9.871 28.989 -1.758 1.00 0.00 C ATOM 677 C GLY B 166 -9.113 30.017 -0.918 1.00 0.00 C ATOM 678 O GLY B 166 -9.612 30.503 0.081 1.00 0.00 O ATOM 0 HA2 GLY B 166 -9.499 27.986 -1.547 1.00 0.00 H new ATOM 0 HA3 GLY B 166 -9.702 29.175 -2.819 1.00 0.00 H new ATOM 684 N LEU B 167 -7.913 30.352 -1.316 1.00 0.00 N ATOM 685 CA LEU B 167 -7.111 31.355 -0.543 1.00 0.00 C ATOM 686 C LEU B 167 -6.265 32.220 -1.491 1.00 0.00 C ATOM 687 O LEU B 167 -6.524 33.399 -1.648 1.00 0.00 O ATOM 688 CB LEU B 167 -6.210 30.570 0.445 1.00 0.00 C ATOM 689 CG LEU B 167 -5.740 29.213 -0.129 1.00 0.00 C ATOM 690 CD1 LEU B 167 -4.233 29.052 0.091 1.00 0.00 C ATOM 691 CD2 LEU B 167 -6.479 28.073 0.579 1.00 0.00 C ATOM 0 H LEU B 167 -7.451 29.975 -2.144 1.00 0.00 H new ATOM 0 HA LEU B 167 -7.769 32.031 0.003 1.00 0.00 H new ATOM 0 HB2 LEU B 167 -5.339 31.175 0.696 1.00 0.00 H new ATOM 0 HB3 LEU B 167 -6.757 30.398 1.372 1.00 0.00 H new ATOM 0 HG LEU B 167 -5.956 29.182 -1.197 1.00 0.00 H new ATOM 0 HD11 LEU B 167 -3.906 28.095 -0.315 1.00 0.00 H new ATOM 0 HD12 LEU B 167 -3.703 29.860 -0.414 1.00 0.00 H new ATOM 0 HD13 LEU B 167 -4.015 29.087 1.158 1.00 0.00 H new ATOM 0 HD21 LEU B 167 -6.147 27.117 0.174 1.00 0.00 H new ATOM 0 HD22 LEU B 167 -6.265 28.108 1.647 1.00 0.00 H new ATOM 0 HD23 LEU B 167 -7.552 28.181 0.421 1.00 0.00 H new ATOM 703 N SER B 168 -5.265 31.654 -2.122 1.00 0.00 N ATOM 704 CA SER B 168 -4.414 32.455 -3.054 1.00 0.00 C ATOM 705 C SER B 168 -3.947 31.603 -4.240 1.00 0.00 C ATOM 706 O SER B 168 -3.018 31.963 -4.937 1.00 0.00 O ATOM 707 CB SER B 168 -3.217 32.895 -2.212 1.00 0.00 C ATOM 708 OG SER B 168 -2.201 33.399 -3.069 1.00 0.00 O ATOM 0 H SER B 168 -5.002 30.673 -2.031 1.00 0.00 H new ATOM 0 HA SER B 168 -4.959 33.300 -3.475 1.00 0.00 H new ATOM 0 HB2 SER B 168 -3.521 33.661 -1.499 1.00 0.00 H new ATOM 0 HB3 SER B 168 -2.836 32.054 -1.633 1.00 0.00 H new ATOM 0 HG SER B 168 -2.468 33.270 -4.003 1.00 0.00 H new ATOM 714 N LYS B 169 -4.575 30.469 -4.475 1.00 0.00 N ATOM 715 CA LYS B 169 -4.162 29.585 -5.615 1.00 0.00 C ATOM 716 C LYS B 169 -2.649 29.328 -5.579 1.00 0.00 C ATOM 717 O LYS B 169 -2.029 29.061 -6.591 1.00 0.00 O ATOM 718 CB LYS B 169 -4.548 30.348 -6.884 1.00 0.00 C ATOM 719 CG LYS B 169 -4.576 29.384 -8.073 1.00 0.00 C ATOM 720 CD LYS B 169 -5.680 28.344 -7.869 1.00 0.00 C ATOM 721 CE LYS B 169 -6.058 27.728 -9.218 1.00 0.00 C ATOM 722 NZ LYS B 169 -7.034 28.681 -9.817 1.00 0.00 N ATOM 0 H LYS B 169 -5.358 30.119 -3.923 1.00 0.00 H new ATOM 0 HA LYS B 169 -4.647 28.610 -5.566 1.00 0.00 H new ATOM 0 HB2 LYS B 169 -5.525 30.814 -6.757 1.00 0.00 H new ATOM 0 HB3 LYS B 169 -3.834 31.150 -7.070 1.00 0.00 H new ATOM 0 HG2 LYS B 169 -4.749 29.936 -8.997 1.00 0.00 H new ATOM 0 HG3 LYS B 169 -3.611 28.888 -8.174 1.00 0.00 H new ATOM 0 HD2 LYS B 169 -5.340 27.567 -7.185 1.00 0.00 H new ATOM 0 HD3 LYS B 169 -6.553 28.810 -7.413 1.00 0.00 H new ATOM 0 HE2 LYS B 169 -5.182 27.607 -9.856 1.00 0.00 H new ATOM 0 HE3 LYS B 169 -6.499 26.739 -9.091 1.00 0.00 H new ATOM 0 HZ1 LYS B 169 -7.949 28.204 -9.949 1.00 0.00 H new ATOM 0 HZ2 LYS B 169 -7.157 29.496 -9.183 1.00 0.00 H new ATOM 0 HZ3 LYS B 169 -6.679 29.009 -10.738 1.00 0.00 H new ATOM 736 N GLU B 170 -2.059 29.408 -4.415 1.00 0.00 N ATOM 737 CA GLU B 170 -0.593 29.175 -4.288 1.00 0.00 C ATOM 738 C GLU B 170 -0.289 28.579 -2.916 1.00 0.00 C ATOM 739 O GLU B 170 0.440 27.610 -2.799 1.00 0.00 O ATOM 740 CB GLU B 170 0.046 30.557 -4.432 1.00 0.00 C ATOM 741 CG GLU B 170 1.429 30.417 -5.067 1.00 0.00 C ATOM 742 CD GLU B 170 1.732 31.657 -5.910 1.00 0.00 C ATOM 743 OE1 GLU B 170 1.929 32.711 -5.327 1.00 0.00 O ATOM 744 OE2 GLU B 170 1.762 31.532 -7.123 1.00 0.00 O ATOM 0 H GLU B 170 -2.536 29.627 -3.540 1.00 0.00 H new ATOM 0 HA GLU B 170 -0.212 28.479 -5.035 1.00 0.00 H new ATOM 0 HB2 GLU B 170 -0.585 31.198 -5.047 1.00 0.00 H new ATOM 0 HB3 GLU B 170 0.129 31.034 -3.456 1.00 0.00 H new ATOM 0 HG2 GLU B 170 2.186 30.297 -4.292 1.00 0.00 H new ATOM 0 HG3 GLU B 170 1.466 29.523 -5.690 1.00 0.00 H new ATOM 751 N GLU B 171 -0.852 29.145 -1.878 1.00 0.00 N ATOM 752 CA GLU B 171 -0.607 28.604 -0.510 1.00 0.00 C ATOM 753 C GLU B 171 -1.222 27.211 -0.398 1.00 0.00 C ATOM 754 O GLU B 171 -0.665 26.323 0.218 1.00 0.00 O ATOM 755 CB GLU B 171 -1.291 29.583 0.448 1.00 0.00 C ATOM 756 CG GLU B 171 -0.243 30.508 1.073 1.00 0.00 C ATOM 757 CD GLU B 171 -0.942 31.695 1.737 1.00 0.00 C ATOM 758 OE1 GLU B 171 -1.794 31.461 2.579 1.00 0.00 O ATOM 759 OE2 GLU B 171 -0.614 32.819 1.393 1.00 0.00 O ATOM 0 H GLU B 171 -1.469 29.956 -1.920 1.00 0.00 H new ATOM 0 HA GLU B 171 0.455 28.510 -0.282 1.00 0.00 H new ATOM 0 HB2 GLU B 171 -2.036 30.171 -0.088 1.00 0.00 H new ATOM 0 HB3 GLU B 171 -1.819 29.035 1.229 1.00 0.00 H new ATOM 0 HG2 GLU B 171 0.347 29.962 1.809 1.00 0.00 H new ATOM 0 HG3 GLU B 171 0.449 30.861 0.308 1.00 0.00 H new ATOM 766 N LEU B 172 -2.358 27.014 -1.013 1.00 0.00 N ATOM 767 CA LEU B 172 -3.012 25.674 -0.974 1.00 0.00 C ATOM 768 C LEU B 172 -2.265 24.724 -1.910 1.00 0.00 C ATOM 769 O LEU B 172 -2.227 23.527 -1.696 1.00 0.00 O ATOM 770 CB LEU B 172 -4.443 25.904 -1.465 1.00 0.00 C ATOM 771 CG LEU B 172 -5.410 25.065 -0.629 1.00 0.00 C ATOM 772 CD1 LEU B 172 -6.850 25.464 -0.956 1.00 0.00 C ATOM 773 CD2 LEU B 172 -5.206 23.582 -0.953 1.00 0.00 C ATOM 0 H LEU B 172 -2.862 27.726 -1.542 1.00 0.00 H new ATOM 0 HA LEU B 172 -3.004 25.231 0.022 1.00 0.00 H new ATOM 0 HB2 LEU B 172 -4.700 26.960 -1.387 1.00 0.00 H new ATOM 0 HB3 LEU B 172 -4.526 25.633 -2.517 1.00 0.00 H new ATOM 0 HG LEU B 172 -5.218 25.238 0.430 1.00 0.00 H new ATOM 0 HD11 LEU B 172 -7.538 24.865 -0.359 1.00 0.00 H new ATOM 0 HD12 LEU B 172 -6.996 26.520 -0.727 1.00 0.00 H new ATOM 0 HD13 LEU B 172 -7.044 25.292 -2.015 1.00 0.00 H new ATOM 0 HD21 LEU B 172 -5.894 22.982 -0.358 1.00 0.00 H new ATOM 0 HD22 LEU B 172 -5.398 23.411 -2.012 1.00 0.00 H new ATOM 0 HD23 LEU B 172 -4.180 23.296 -0.719 1.00 0.00 H new ATOM 785 N ILE B 173 -1.660 25.258 -2.943 1.00 0.00 N ATOM 786 CA ILE B 173 -0.897 24.401 -3.896 1.00 0.00 C ATOM 787 C ILE B 173 0.326 23.817 -3.185 1.00 0.00 C ATOM 788 O ILE B 173 0.773 22.729 -3.494 1.00 0.00 O ATOM 789 CB ILE B 173 -0.464 25.335 -5.036 1.00 0.00 C ATOM 790 CG1 ILE B 173 -1.698 25.986 -5.690 1.00 0.00 C ATOM 791 CG2 ILE B 173 0.311 24.537 -6.088 1.00 0.00 C ATOM 792 CD1 ILE B 173 -2.635 24.911 -6.254 1.00 0.00 C ATOM 0 H ILE B 173 -1.663 26.253 -3.166 1.00 0.00 H new ATOM 0 HA ILE B 173 -1.490 23.567 -4.272 1.00 0.00 H new ATOM 0 HB ILE B 173 0.175 26.118 -4.627 1.00 0.00 H new ATOM 0 HG12 ILE B 173 -2.229 26.592 -4.956 1.00 0.00 H new ATOM 0 HG13 ILE B 173 -1.382 26.657 -6.489 1.00 0.00 H new ATOM 0 HG21 ILE B 173 0.617 25.201 -6.896 1.00 0.00 H new ATOM 0 HG22 ILE B 173 1.194 24.092 -5.629 1.00 0.00 H new ATOM 0 HG23 ILE B 173 -0.326 23.748 -6.489 1.00 0.00 H new ATOM 0 HD11 ILE B 173 -3.501 25.388 -6.712 1.00 0.00 H new ATOM 0 HD12 ILE B 173 -2.105 24.323 -7.004 1.00 0.00 H new ATOM 0 HD13 ILE B 173 -2.965 24.257 -5.447 1.00 0.00 H new ATOM 804 N GLN B 174 0.862 24.535 -2.228 1.00 0.00 N ATOM 805 CA GLN B 174 2.055 24.026 -1.486 1.00 0.00 C ATOM 806 C GLN B 174 1.631 22.921 -0.516 1.00 0.00 C ATOM 807 O GLN B 174 2.389 22.015 -0.225 1.00 0.00 O ATOM 808 CB GLN B 174 2.600 25.234 -0.720 1.00 0.00 C ATOM 809 CG GLN B 174 4.040 24.956 -0.286 1.00 0.00 C ATOM 810 CD GLN B 174 5.006 25.511 -1.333 1.00 0.00 C ATOM 811 OE1 GLN B 174 4.695 26.464 -2.019 1.00 0.00 O ATOM 812 NE2 GLN B 174 6.176 24.951 -1.486 1.00 0.00 N ATOM 0 H GLN B 174 0.525 25.450 -1.930 1.00 0.00 H new ATOM 0 HA GLN B 174 2.806 23.600 -2.152 1.00 0.00 H new ATOM 0 HB2 GLN B 174 2.564 26.123 -1.349 1.00 0.00 H new ATOM 0 HB3 GLN B 174 1.978 25.435 0.153 1.00 0.00 H new ATOM 0 HG2 GLN B 174 4.234 25.416 0.683 1.00 0.00 H new ATOM 0 HG3 GLN B 174 4.194 23.884 -0.166 1.00 0.00 H new ATOM 0 HE21 GLN B 174 6.438 24.151 -0.910 1.00 0.00 H new ATOM 0 HE22 GLN B 174 6.828 25.314 -2.181 1.00 0.00 H new ATOM 821 N ASN B 175 0.422 22.990 -0.021 1.00 0.00 N ATOM 822 CA ASN B 175 -0.065 21.942 0.927 1.00 0.00 C ATOM 823 C ASN B 175 -0.374 20.650 0.165 1.00 0.00 C ATOM 824 O ASN B 175 -0.267 19.563 0.701 1.00 0.00 O ATOM 825 CB ASN B 175 -1.342 22.518 1.545 1.00 0.00 C ATOM 826 CG ASN B 175 -1.004 23.787 2.329 1.00 0.00 C ATOM 827 OD1 ASN B 175 0.112 23.962 2.775 1.00 0.00 O ATOM 828 ND2 ASN B 175 -1.929 24.687 2.517 1.00 0.00 N ATOM 0 H ASN B 175 -0.250 23.728 -0.232 1.00 0.00 H new ATOM 0 HA ASN B 175 0.677 21.698 1.688 1.00 0.00 H new ATOM 0 HB2 ASN B 175 -2.067 22.744 0.763 1.00 0.00 H new ATOM 0 HB3 ASN B 175 -1.803 21.783 2.204 1.00 0.00 H new ATOM 0 HD21 ASN B 175 -1.715 25.537 3.038 1.00 0.00 H new ATOM 0 HD22 ASN B 175 -2.866 24.541 2.143 1.00 0.00 H new ATOM 835 N MET B 176 -0.753 20.767 -1.082 1.00 0.00 N ATOM 836 CA MET B 176 -1.067 19.550 -1.892 1.00 0.00 C ATOM 837 C MET B 176 0.226 18.805 -2.239 1.00 0.00 C ATOM 838 O MET B 176 0.233 17.599 -2.394 1.00 0.00 O ATOM 839 CB MET B 176 -1.745 20.072 -3.165 1.00 0.00 C ATOM 840 CG MET B 176 -3.253 19.812 -3.094 1.00 0.00 C ATOM 841 SD MET B 176 -3.905 19.593 -4.770 1.00 0.00 S ATOM 842 CE MET B 176 -5.460 20.488 -4.532 1.00 0.00 C ATOM 0 H MET B 176 -0.859 21.653 -1.575 1.00 0.00 H new ATOM 0 HA MET B 176 -1.707 18.851 -1.354 1.00 0.00 H new ATOM 0 HB2 MET B 176 -1.556 21.140 -3.277 1.00 0.00 H new ATOM 0 HB3 MET B 176 -1.323 19.580 -4.041 1.00 0.00 H new ATOM 0 HG2 MET B 176 -3.452 18.923 -2.495 1.00 0.00 H new ATOM 0 HG3 MET B 176 -3.754 20.646 -2.603 1.00 0.00 H new ATOM 0 HE1 MET B 176 -5.869 20.772 -5.502 1.00 0.00 H new ATOM 0 HE2 MET B 176 -6.172 19.848 -4.011 1.00 0.00 H new ATOM 0 HE3 MET B 176 -5.277 21.384 -3.939 1.00 0.00 H new ATOM 852 N ASP B 177 1.316 19.519 -2.358 1.00 0.00 N ATOM 853 CA ASP B 177 2.615 18.860 -2.693 1.00 0.00 C ATOM 854 C ASP B 177 3.173 18.141 -1.464 1.00 0.00 C ATOM 855 O ASP B 177 3.873 17.153 -1.578 1.00 0.00 O ATOM 856 CB ASP B 177 3.545 19.998 -3.117 1.00 0.00 C ATOM 857 CG ASP B 177 4.598 19.462 -4.089 1.00 0.00 C ATOM 858 OD1 ASP B 177 5.579 18.908 -3.622 1.00 0.00 O ATOM 859 OD2 ASP B 177 4.405 19.615 -5.284 1.00 0.00 O ATOM 0 H ASP B 177 1.363 20.531 -2.238 1.00 0.00 H new ATOM 0 HA ASP B 177 2.506 18.112 -3.478 1.00 0.00 H new ATOM 0 HB2 ASP B 177 2.970 20.794 -3.590 1.00 0.00 H new ATOM 0 HB3 ASP B 177 4.030 20.431 -2.242 1.00 0.00 H new ATOM 864 N ARG B 178 2.862 18.629 -0.290 1.00 0.00 N ATOM 865 CA ARG B 178 3.368 17.977 0.956 1.00 0.00 C ATOM 866 C ARG B 178 2.559 16.712 1.247 1.00 0.00 C ATOM 867 O ARG B 178 3.068 15.749 1.789 1.00 0.00 O ATOM 868 CB ARG B 178 3.169 19.015 2.067 1.00 0.00 C ATOM 869 CG ARG B 178 4.524 19.609 2.477 1.00 0.00 C ATOM 870 CD ARG B 178 4.990 18.973 3.792 1.00 0.00 C ATOM 871 NE ARG B 178 5.474 17.612 3.421 1.00 0.00 N ATOM 872 CZ ARG B 178 5.874 16.788 4.351 1.00 0.00 C ATOM 873 NH1 ARG B 178 5.179 16.654 5.447 1.00 0.00 N ATOM 874 NH2 ARG B 178 6.968 16.098 4.184 1.00 0.00 N ATOM 0 H ARG B 178 2.279 19.452 -0.140 1.00 0.00 H new ATOM 0 HA ARG B 178 4.413 17.677 0.871 1.00 0.00 H new ATOM 0 HB2 ARG B 178 2.505 19.807 1.722 1.00 0.00 H new ATOM 0 HB3 ARG B 178 2.690 18.550 2.929 1.00 0.00 H new ATOM 0 HG2 ARG B 178 5.262 19.431 1.694 1.00 0.00 H new ATOM 0 HG3 ARG B 178 4.438 20.689 2.595 1.00 0.00 H new ATOM 0 HD2 ARG B 178 5.784 19.560 4.253 1.00 0.00 H new ATOM 0 HD3 ARG B 178 4.174 18.917 4.513 1.00 0.00 H new ATOM 0 HE ARG B 178 5.492 17.326 2.442 1.00 0.00 H new ATOM 0 HH11 ARG B 178 4.323 17.193 5.577 1.00 0.00 H new ATOM 0 HH12 ARG B 178 5.492 16.010 6.174 1.00 0.00 H new ATOM 0 HH21 ARG B 178 7.511 16.202 3.327 1.00 0.00 H new ATOM 0 HH22 ARG B 178 7.281 15.454 4.911 1.00 0.00 H new ATOM 888 N VAL B 179 1.303 16.711 0.884 1.00 0.00 N ATOM 889 CA VAL B 179 0.448 15.510 1.128 1.00 0.00 C ATOM 890 C VAL B 179 0.803 14.409 0.125 1.00 0.00 C ATOM 891 O VAL B 179 0.673 13.233 0.410 1.00 0.00 O ATOM 892 CB VAL B 179 -0.994 15.990 0.924 1.00 0.00 C ATOM 893 CG1 VAL B 179 -1.964 14.826 1.143 1.00 0.00 C ATOM 894 CG2 VAL B 179 -1.310 17.103 1.928 1.00 0.00 C ATOM 0 H VAL B 179 0.831 17.492 0.428 1.00 0.00 H new ATOM 0 HA VAL B 179 0.591 15.093 2.125 1.00 0.00 H new ATOM 0 HB VAL B 179 -1.104 16.368 -0.092 1.00 0.00 H new ATOM 0 HG11 VAL B 179 -2.987 15.173 0.997 1.00 0.00 H new ATOM 0 HG12 VAL B 179 -1.745 14.031 0.430 1.00 0.00 H new ATOM 0 HG13 VAL B 179 -1.852 14.445 2.158 1.00 0.00 H new ATOM 0 HG21 VAL B 179 -2.335 17.444 1.783 1.00 0.00 H new ATOM 0 HG22 VAL B 179 -1.195 16.721 2.942 1.00 0.00 H new ATOM 0 HG23 VAL B 179 -0.625 17.937 1.774 1.00 0.00 H new ATOM 904 N ASP B 180 1.254 14.785 -1.044 1.00 0.00 N ATOM 905 CA ASP B 180 1.626 13.765 -2.072 1.00 0.00 C ATOM 906 C ASP B 180 2.944 13.088 -1.688 1.00 0.00 C ATOM 907 O ASP B 180 3.188 11.947 -2.036 1.00 0.00 O ATOM 908 CB ASP B 180 1.786 14.548 -3.378 1.00 0.00 C ATOM 909 CG ASP B 180 1.639 13.595 -4.565 1.00 0.00 C ATOM 910 OD1 ASP B 180 0.694 12.823 -4.566 1.00 0.00 O ATOM 911 OD2 ASP B 180 2.473 13.654 -5.453 1.00 0.00 O ATOM 0 H ASP B 180 1.381 15.755 -1.332 1.00 0.00 H new ATOM 0 HA ASP B 180 0.876 12.979 -2.161 1.00 0.00 H new ATOM 0 HB2 ASP B 180 1.036 15.337 -3.436 1.00 0.00 H new ATOM 0 HB3 ASP B 180 2.762 15.033 -3.406 1.00 0.00 H new ATOM 916 N ARG B 181 3.792 13.784 -0.973 1.00 0.00 N ATOM 917 CA ARG B 181 5.099 13.184 -0.560 1.00 0.00 C ATOM 918 C ARG B 181 4.876 12.144 0.540 1.00 0.00 C ATOM 919 O ARG B 181 5.602 11.172 0.640 1.00 0.00 O ATOM 920 CB ARG B 181 5.930 14.355 -0.032 1.00 0.00 C ATOM 921 CG ARG B 181 7.387 14.188 -0.468 1.00 0.00 C ATOM 922 CD ARG B 181 7.581 14.815 -1.850 1.00 0.00 C ATOM 923 NE ARG B 181 8.892 14.296 -2.327 1.00 0.00 N ATOM 924 CZ ARG B 181 9.060 14.004 -3.588 1.00 0.00 C ATOM 925 NH1 ARG B 181 8.207 13.226 -4.195 1.00 0.00 N ATOM 926 NH2 ARG B 181 10.078 14.491 -4.241 1.00 0.00 N ATOM 0 H ARG B 181 3.636 14.741 -0.657 1.00 0.00 H new ATOM 0 HA ARG B 181 5.597 12.675 -1.385 1.00 0.00 H new ATOM 0 HB2 ARG B 181 5.532 15.296 -0.411 1.00 0.00 H new ATOM 0 HB3 ARG B 181 5.868 14.397 1.055 1.00 0.00 H new ATOM 0 HG2 ARG B 181 8.051 14.663 0.255 1.00 0.00 H new ATOM 0 HG3 ARG B 181 7.650 13.131 -0.496 1.00 0.00 H new ATOM 0 HD2 ARG B 181 6.775 14.534 -2.528 1.00 0.00 H new ATOM 0 HD3 ARG B 181 7.584 15.903 -1.793 1.00 0.00 H new ATOM 0 HE ARG B 181 9.660 14.168 -1.668 1.00 0.00 H new ATOM 0 HH11 ARG B 181 7.410 12.847 -3.684 1.00 0.00 H new ATOM 0 HH12 ARG B 181 8.337 12.997 -5.180 1.00 0.00 H new ATOM 0 HH21 ARG B 181 10.744 15.101 -3.766 1.00 0.00 H new ATOM 0 HH22 ARG B 181 10.209 14.262 -5.226 1.00 0.00 H new ATOM 940 N GLU B 182 3.877 12.342 1.363 1.00 0.00 N ATOM 941 CA GLU B 182 3.601 11.364 2.459 1.00 0.00 C ATOM 942 C GLU B 182 2.988 10.089 1.880 1.00 0.00 C ATOM 943 O GLU B 182 3.282 8.993 2.322 1.00 0.00 O ATOM 944 CB GLU B 182 2.608 12.065 3.386 1.00 0.00 C ATOM 945 CG GLU B 182 2.818 11.581 4.822 1.00 0.00 C ATOM 946 CD GLU B 182 1.590 11.928 5.665 1.00 0.00 C ATOM 947 OE1 GLU B 182 0.557 11.314 5.450 1.00 0.00 O ATOM 948 OE2 GLU B 182 1.702 12.801 6.508 1.00 0.00 O ATOM 0 H GLU B 182 3.241 13.138 1.323 1.00 0.00 H new ATOM 0 HA GLU B 182 4.508 11.072 2.989 1.00 0.00 H new ATOM 0 HB2 GLU B 182 2.744 13.145 3.332 1.00 0.00 H new ATOM 0 HB3 GLU B 182 1.587 11.856 3.067 1.00 0.00 H new ATOM 0 HG2 GLU B 182 2.986 10.504 4.833 1.00 0.00 H new ATOM 0 HG3 GLU B 182 3.707 12.047 5.247 1.00 0.00 H new ATOM 955 N ILE B 183 2.146 10.227 0.891 1.00 0.00 N ATOM 956 CA ILE B 183 1.513 9.024 0.269 1.00 0.00 C ATOM 957 C ILE B 183 2.572 8.216 -0.487 1.00 0.00 C ATOM 958 O ILE B 183 2.461 7.012 -0.627 1.00 0.00 O ATOM 959 CB ILE B 183 0.450 9.572 -0.690 1.00 0.00 C ATOM 960 CG1 ILE B 183 -0.582 10.377 0.105 1.00 0.00 C ATOM 961 CG2 ILE B 183 -0.254 8.410 -1.399 1.00 0.00 C ATOM 962 CD1 ILE B 183 -1.573 11.040 -0.856 1.00 0.00 C ATOM 0 H ILE B 183 1.868 11.121 0.486 1.00 0.00 H new ATOM 0 HA ILE B 183 1.070 8.357 1.008 1.00 0.00 H new ATOM 0 HB ILE B 183 0.928 10.213 -1.431 1.00 0.00 H new ATOM 0 HG12 ILE B 183 -1.113 9.723 0.796 1.00 0.00 H new ATOM 0 HG13 ILE B 183 -0.081 11.136 0.706 1.00 0.00 H new ATOM 0 HG21 ILE B 183 -1.009 8.803 -2.080 1.00 0.00 H new ATOM 0 HG22 ILE B 183 0.477 7.831 -1.963 1.00 0.00 H new ATOM 0 HG23 ILE B 183 -0.732 7.768 -0.659 1.00 0.00 H new ATOM 0 HD11 ILE B 183 -2.305 11.612 -0.286 1.00 0.00 H new ATOM 0 HD12 ILE B 183 -1.036 11.708 -1.529 1.00 0.00 H new ATOM 0 HD13 ILE B 183 -2.084 10.273 -1.438 1.00 0.00 H new ATOM 974 N THR B 184 3.602 8.869 -0.967 1.00 0.00 N ATOM 975 CA THR B 184 4.676 8.140 -1.707 1.00 0.00 C ATOM 976 C THR B 184 5.433 7.218 -0.749 1.00 0.00 C ATOM 977 O THR B 184 5.862 6.142 -1.122 1.00 0.00 O ATOM 978 CB THR B 184 5.606 9.228 -2.251 1.00 0.00 C ATOM 979 OG1 THR B 184 4.830 10.333 -2.693 1.00 0.00 O ATOM 980 CG2 THR B 184 6.415 8.670 -3.423 1.00 0.00 C ATOM 0 H THR B 184 3.744 9.875 -0.878 1.00 0.00 H new ATOM 0 HA THR B 184 4.276 7.518 -2.507 1.00 0.00 H new ATOM 0 HB THR B 184 6.287 9.552 -1.464 1.00 0.00 H new ATOM 0 HG1 THR B 184 4.627 10.915 -1.932 1.00 0.00 H new ATOM 0 HG21 THR B 184 7.077 9.445 -3.810 1.00 0.00 H new ATOM 0 HG22 THR B 184 7.009 7.821 -3.084 1.00 0.00 H new ATOM 0 HG23 THR B 184 5.736 8.345 -4.212 1.00 0.00 H new ATOM 988 N MET B 185 5.594 7.630 0.484 1.00 0.00 N ATOM 989 CA MET B 185 6.320 6.775 1.473 1.00 0.00 C ATOM 990 C MET B 185 5.509 5.509 1.759 1.00 0.00 C ATOM 991 O MET B 185 6.030 4.409 1.731 1.00 0.00 O ATOM 992 CB MET B 185 6.446 7.631 2.738 1.00 0.00 C ATOM 993 CG MET B 185 7.838 7.449 3.344 1.00 0.00 C ATOM 994 SD MET B 185 7.992 5.773 4.011 1.00 0.00 S ATOM 995 CE MET B 185 9.430 6.081 5.066 1.00 0.00 C ATOM 0 H MET B 185 5.255 8.520 0.848 1.00 0.00 H new ATOM 0 HA MET B 185 7.296 6.458 1.106 1.00 0.00 H new ATOM 0 HB2 MET B 185 6.278 8.681 2.497 1.00 0.00 H new ATOM 0 HB3 MET B 185 5.683 7.343 3.461 1.00 0.00 H new ATOM 0 HG2 MET B 185 8.602 7.622 2.586 1.00 0.00 H new ATOM 0 HG3 MET B 185 8.001 8.182 4.134 1.00 0.00 H new ATOM 0 HE1 MET B 185 9.704 5.162 5.584 1.00 0.00 H new ATOM 0 HE2 MET B 185 10.267 6.415 4.452 1.00 0.00 H new ATOM 0 HE3 MET B 185 9.186 6.851 5.798 1.00 0.00 H new ATOM 1005 N VAL B 186 4.237 5.659 2.029 1.00 0.00 N ATOM 1006 CA VAL B 186 3.382 4.465 2.312 1.00 0.00 C ATOM 1007 C VAL B 186 3.297 3.580 1.065 1.00 0.00 C ATOM 1008 O VAL B 186 3.135 2.378 1.157 1.00 0.00 O ATOM 1009 CB VAL B 186 2.001 5.028 2.673 1.00 0.00 C ATOM 1010 CG1 VAL B 186 1.046 3.877 3.002 1.00 0.00 C ATOM 1011 CG2 VAL B 186 2.123 5.945 3.893 1.00 0.00 C ATOM 0 H VAL B 186 3.753 6.556 2.066 1.00 0.00 H new ATOM 0 HA VAL B 186 3.784 3.850 3.117 1.00 0.00 H new ATOM 0 HB VAL B 186 1.613 5.594 1.827 1.00 0.00 H new ATOM 0 HG11 VAL B 186 0.066 4.279 3.258 1.00 0.00 H new ATOM 0 HG12 VAL B 186 0.954 3.222 2.136 1.00 0.00 H new ATOM 0 HG13 VAL B 186 1.437 3.310 3.847 1.00 0.00 H new ATOM 0 HG21 VAL B 186 1.141 6.344 4.148 1.00 0.00 H new ATOM 0 HG22 VAL B 186 2.514 5.377 4.737 1.00 0.00 H new ATOM 0 HG23 VAL B 186 2.800 6.768 3.664 1.00 0.00 H new ATOM 1021 N GLU B 187 3.408 4.171 -0.098 1.00 0.00 N ATOM 1022 CA GLU B 187 3.339 3.371 -1.359 1.00 0.00 C ATOM 1023 C GLU B 187 4.601 2.519 -1.510 1.00 0.00 C ATOM 1024 O GLU B 187 4.575 1.458 -2.105 1.00 0.00 O ATOM 1025 CB GLU B 187 3.250 4.401 -2.486 1.00 0.00 C ATOM 1026 CG GLU B 187 3.072 3.681 -3.825 1.00 0.00 C ATOM 1027 CD GLU B 187 2.886 4.711 -4.939 1.00 0.00 C ATOM 1028 OE1 GLU B 187 2.110 5.632 -4.744 1.00 0.00 O ATOM 1029 OE2 GLU B 187 3.523 4.563 -5.970 1.00 0.00 O ATOM 0 H GLU B 187 3.543 5.173 -0.229 1.00 0.00 H new ATOM 0 HA GLU B 187 2.489 2.689 -1.367 1.00 0.00 H new ATOM 0 HB2 GLU B 187 2.413 5.076 -2.310 1.00 0.00 H new ATOM 0 HB3 GLU B 187 4.153 5.012 -2.507 1.00 0.00 H new ATOM 0 HG2 GLU B 187 3.942 3.058 -4.033 1.00 0.00 H new ATOM 0 HG3 GLU B 187 2.208 3.018 -3.781 1.00 0.00 H new ATOM 1036 N GLN B 188 5.704 2.976 -0.972 1.00 0.00 N ATOM 1037 CA GLN B 188 6.974 2.193 -1.078 1.00 0.00 C ATOM 1038 C GLN B 188 6.876 0.919 -0.238 1.00 0.00 C ATOM 1039 O GLN B 188 7.457 -0.098 -0.567 1.00 0.00 O ATOM 1040 CB GLN B 188 8.067 3.113 -0.529 1.00 0.00 C ATOM 1041 CG GLN B 188 8.378 4.212 -1.548 1.00 0.00 C ATOM 1042 CD GLN B 188 8.966 3.586 -2.814 1.00 0.00 C ATOM 1043 OE1 GLN B 188 10.112 3.184 -2.833 1.00 0.00 O ATOM 1044 NE2 GLN B 188 8.222 3.488 -3.881 1.00 0.00 N ATOM 0 H GLN B 188 5.780 3.857 -0.464 1.00 0.00 H new ATOM 0 HA GLN B 188 7.182 1.888 -2.103 1.00 0.00 H new ATOM 0 HB2 GLN B 188 7.743 3.558 0.412 1.00 0.00 H new ATOM 0 HB3 GLN B 188 8.967 2.537 -0.315 1.00 0.00 H new ATOM 0 HG2 GLN B 188 7.470 4.764 -1.791 1.00 0.00 H new ATOM 0 HG3 GLN B 188 9.082 4.927 -1.123 1.00 0.00 H new ATOM 0 HE21 GLN B 188 7.260 3.826 -3.864 1.00 0.00 H new ATOM 0 HE22 GLN B 188 8.603 3.074 -4.732 1.00 0.00 H new ATOM 1053 N GLN B 189 6.139 0.971 0.841 1.00 0.00 N ATOM 1054 CA GLN B 189 5.993 -0.237 1.712 1.00 0.00 C ATOM 1055 C GLN B 189 5.097 -1.270 1.024 1.00 0.00 C ATOM 1056 O GLN B 189 5.360 -2.457 1.065 1.00 0.00 O ATOM 1057 CB GLN B 189 5.339 0.274 3.002 1.00 0.00 C ATOM 1058 CG GLN B 189 6.078 -0.293 4.221 1.00 0.00 C ATOM 1059 CD GLN B 189 6.996 0.779 4.817 1.00 0.00 C ATOM 1060 OE1 GLN B 189 7.126 0.881 6.021 1.00 0.00 O ATOM 1061 NE2 GLN B 189 7.642 1.586 4.021 1.00 0.00 N ATOM 0 H GLN B 189 5.631 1.797 1.158 1.00 0.00 H new ATOM 0 HA GLN B 189 6.948 -0.723 1.911 1.00 0.00 H new ATOM 0 HB2 GLN B 189 5.363 1.363 3.025 1.00 0.00 H new ATOM 0 HB3 GLN B 189 4.291 -0.023 3.031 1.00 0.00 H new ATOM 0 HG2 GLN B 189 5.360 -0.627 4.970 1.00 0.00 H new ATOM 0 HG3 GLN B 189 6.664 -1.165 3.930 1.00 0.00 H new ATOM 0 HE21 GLN B 189 7.533 1.501 3.010 1.00 0.00 H new ATOM 0 HE22 GLN B 189 8.256 2.302 4.409 1.00 0.00 H new ATOM 1070 N ILE B 190 4.044 -0.821 0.391 1.00 0.00 N ATOM 1071 CA ILE B 190 3.124 -1.771 -0.307 1.00 0.00 C ATOM 1072 C ILE B 190 3.815 -2.347 -1.546 1.00 0.00 C ATOM 1073 O ILE B 190 3.533 -3.456 -1.964 1.00 0.00 O ATOM 1074 CB ILE B 190 1.899 -0.937 -0.702 1.00 0.00 C ATOM 1075 CG1 ILE B 190 1.261 -0.345 0.560 1.00 0.00 C ATOM 1076 CG2 ILE B 190 0.880 -1.830 -1.417 1.00 0.00 C ATOM 1077 CD1 ILE B 190 0.105 0.580 0.172 1.00 0.00 C ATOM 0 H ILE B 190 3.781 0.162 0.327 1.00 0.00 H new ATOM 0 HA ILE B 190 2.843 -2.615 0.323 1.00 0.00 H new ATOM 0 HB ILE B 190 2.206 -0.132 -1.370 1.00 0.00 H new ATOM 0 HG12 ILE B 190 0.898 -1.145 1.205 1.00 0.00 H new ATOM 0 HG13 ILE B 190 2.007 0.209 1.130 1.00 0.00 H new ATOM 0 HG21 ILE B 190 0.010 -1.237 -1.697 1.00 0.00 H new ATOM 0 HG22 ILE B 190 1.334 -2.255 -2.313 1.00 0.00 H new ATOM 0 HG23 ILE B 190 0.571 -2.635 -0.750 1.00 0.00 H new ATOM 0 HD11 ILE B 190 -0.345 0.998 1.073 1.00 0.00 H new ATOM 0 HD12 ILE B 190 0.481 1.389 -0.455 1.00 0.00 H new ATOM 0 HD13 ILE B 190 -0.646 0.013 -0.379 1.00 0.00 H new ATOM 1089 N SER B 191 4.721 -1.605 -2.130 1.00 0.00 N ATOM 1090 CA SER B 191 5.440 -2.107 -3.340 1.00 0.00 C ATOM 1091 C SER B 191 6.456 -3.176 -2.934 1.00 0.00 C ATOM 1092 O SER B 191 6.668 -4.142 -3.644 1.00 0.00 O ATOM 1093 CB SER B 191 6.149 -0.886 -3.925 1.00 0.00 C ATOM 1094 OG SER B 191 5.283 -0.238 -4.847 1.00 0.00 O ATOM 0 H SER B 191 4.994 -0.672 -1.821 1.00 0.00 H new ATOM 0 HA SER B 191 4.764 -2.563 -4.064 1.00 0.00 H new ATOM 0 HB2 SER B 191 6.431 -0.198 -3.128 1.00 0.00 H new ATOM 0 HB3 SER B 191 7.069 -1.190 -4.424 1.00 0.00 H new ATOM 0 HG SER B 191 5.734 0.547 -5.223 1.00 0.00 H new ATOM 1100 N LYS B 192 7.076 -3.014 -1.793 1.00 0.00 N ATOM 1101 CA LYS B 192 8.073 -4.026 -1.331 1.00 0.00 C ATOM 1102 C LYS B 192 7.343 -5.252 -0.782 1.00 0.00 C ATOM 1103 O LYS B 192 7.822 -6.367 -0.877 1.00 0.00 O ATOM 1104 CB LYS B 192 8.870 -3.329 -0.225 1.00 0.00 C ATOM 1105 CG LYS B 192 9.761 -2.250 -0.843 1.00 0.00 C ATOM 1106 CD LYS B 192 10.749 -1.741 0.208 1.00 0.00 C ATOM 1107 CE LYS B 192 11.896 -2.743 0.359 1.00 0.00 C ATOM 1108 NZ LYS B 192 12.968 -1.995 1.073 1.00 0.00 N ATOM 0 H LYS B 192 6.935 -2.225 -1.162 1.00 0.00 H new ATOM 0 HA LYS B 192 8.723 -4.370 -2.135 1.00 0.00 H new ATOM 0 HB2 LYS B 192 8.191 -2.883 0.502 1.00 0.00 H new ATOM 0 HB3 LYS B 192 9.479 -4.056 0.312 1.00 0.00 H new ATOM 0 HG2 LYS B 192 10.301 -2.655 -1.699 1.00 0.00 H new ATOM 0 HG3 LYS B 192 9.150 -1.426 -1.212 1.00 0.00 H new ATOM 0 HD2 LYS B 192 11.140 -0.767 -0.086 1.00 0.00 H new ATOM 0 HD3 LYS B 192 10.242 -1.606 1.163 1.00 0.00 H new ATOM 0 HE2 LYS B 192 11.582 -3.620 0.925 1.00 0.00 H new ATOM 0 HE3 LYS B 192 12.241 -3.097 -0.612 1.00 0.00 H new ATOM 0 HZ1 LYS B 192 13.790 -2.616 1.214 1.00 0.00 H new ATOM 0 HZ2 LYS B 192 13.251 -1.169 0.507 1.00 0.00 H new ATOM 0 HZ3 LYS B 192 12.613 -1.676 1.997 1.00 0.00 H new ATOM 1122 N LEU B 193 6.178 -5.052 -0.219 1.00 0.00 N ATOM 1123 CA LEU B 193 5.396 -6.199 0.330 1.00 0.00 C ATOM 1124 C LEU B 193 4.709 -6.963 -0.808 1.00 0.00 C ATOM 1125 O LEU B 193 4.366 -8.122 -0.665 1.00 0.00 O ATOM 1126 CB LEU B 193 4.358 -5.564 1.262 1.00 0.00 C ATOM 1127 CG LEU B 193 4.266 -6.369 2.569 1.00 0.00 C ATOM 1128 CD1 LEU B 193 4.300 -5.414 3.765 1.00 0.00 C ATOM 1129 CD2 LEU B 193 2.956 -7.164 2.594 1.00 0.00 C ATOM 0 H LEU B 193 5.734 -4.139 -0.116 1.00 0.00 H new ATOM 0 HA LEU B 193 6.026 -6.916 0.856 1.00 0.00 H new ATOM 0 HB2 LEU B 193 4.634 -4.532 1.479 1.00 0.00 H new ATOM 0 HB3 LEU B 193 3.385 -5.537 0.772 1.00 0.00 H new ATOM 0 HG LEU B 193 5.110 -7.056 2.626 1.00 0.00 H new ATOM 0 HD11 LEU B 193 4.235 -5.987 4.690 1.00 0.00 H new ATOM 0 HD12 LEU B 193 5.232 -4.849 3.753 1.00 0.00 H new ATOM 0 HD13 LEU B 193 3.457 -4.725 3.705 1.00 0.00 H new ATOM 0 HD21 LEU B 193 2.894 -7.733 3.521 1.00 0.00 H new ATOM 0 HD22 LEU B 193 2.112 -6.477 2.533 1.00 0.00 H new ATOM 0 HD23 LEU B 193 2.929 -7.848 1.746 1.00 0.00 H new ATOM 1141 N LYS B 194 4.514 -6.329 -1.939 1.00 0.00 N ATOM 1142 CA LYS B 194 3.863 -7.027 -3.086 1.00 0.00 C ATOM 1143 C LYS B 194 4.898 -7.880 -3.825 1.00 0.00 C ATOM 1144 O LYS B 194 4.569 -8.881 -4.431 1.00 0.00 O ATOM 1145 CB LYS B 194 3.336 -5.911 -3.989 1.00 0.00 C ATOM 1146 CG LYS B 194 2.203 -6.454 -4.863 1.00 0.00 C ATOM 1147 CD LYS B 194 0.925 -6.566 -4.030 1.00 0.00 C ATOM 1148 CE LYS B 194 -0.118 -7.378 -4.801 1.00 0.00 C ATOM 1149 NZ LYS B 194 -0.811 -6.388 -5.670 1.00 0.00 N ATOM 0 H LYS B 194 4.778 -5.360 -2.115 1.00 0.00 H new ATOM 0 HA LYS B 194 3.062 -7.695 -2.768 1.00 0.00 H new ATOM 0 HB2 LYS B 194 2.976 -5.079 -3.384 1.00 0.00 H new ATOM 0 HB3 LYS B 194 4.140 -5.525 -4.616 1.00 0.00 H new ATOM 0 HG2 LYS B 194 2.038 -5.794 -5.715 1.00 0.00 H new ATOM 0 HG3 LYS B 194 2.475 -7.430 -5.264 1.00 0.00 H new ATOM 0 HD2 LYS B 194 1.141 -7.045 -3.075 1.00 0.00 H new ATOM 0 HD3 LYS B 194 0.536 -5.573 -3.807 1.00 0.00 H new ATOM 0 HE2 LYS B 194 0.352 -8.163 -5.394 1.00 0.00 H new ATOM 0 HE3 LYS B 194 -0.818 -7.866 -4.123 1.00 0.00 H new ATOM 0 HZ1 LYS B 194 -1.542 -6.870 -6.231 1.00 0.00 H new ATOM 0 HZ2 LYS B 194 -1.255 -5.657 -5.078 1.00 0.00 H new ATOM 0 HZ3 LYS B 194 -0.121 -5.944 -6.309 1.00 0.00 H new ATOM 1163 N LYS B 195 6.149 -7.491 -3.771 1.00 0.00 N ATOM 1164 CA LYS B 195 7.212 -8.278 -4.461 1.00 0.00 C ATOM 1165 C LYS B 195 7.525 -9.545 -3.662 1.00 0.00 C ATOM 1166 O LYS B 195 7.806 -10.586 -4.226 1.00 0.00 O ATOM 1167 CB LYS B 195 8.431 -7.355 -4.512 1.00 0.00 C ATOM 1168 CG LYS B 195 9.566 -8.048 -5.269 1.00 0.00 C ATOM 1169 CD LYS B 195 9.307 -7.957 -6.774 1.00 0.00 C ATOM 1170 CE LYS B 195 10.132 -9.022 -7.499 1.00 0.00 C ATOM 1171 NZ LYS B 195 9.500 -9.149 -8.842 1.00 0.00 N ATOM 0 H LYS B 195 6.477 -6.661 -3.278 1.00 0.00 H new ATOM 0 HA LYS B 195 6.909 -8.596 -5.459 1.00 0.00 H new ATOM 0 HB2 LYS B 195 8.170 -6.418 -5.004 1.00 0.00 H new ATOM 0 HB3 LYS B 195 8.753 -7.105 -3.501 1.00 0.00 H new ATOM 0 HG2 LYS B 195 10.519 -7.580 -5.025 1.00 0.00 H new ATOM 0 HG3 LYS B 195 9.636 -9.092 -4.964 1.00 0.00 H new ATOM 0 HD2 LYS B 195 8.246 -8.100 -6.981 1.00 0.00 H new ATOM 0 HD3 LYS B 195 9.572 -6.965 -7.140 1.00 0.00 H new ATOM 0 HE2 LYS B 195 11.177 -8.724 -7.581 1.00 0.00 H new ATOM 0 HE3 LYS B 195 10.112 -9.970 -6.962 1.00 0.00 H new ATOM 0 HZ1 LYS B 195 10.011 -9.863 -9.400 1.00 0.00 H new ATOM 0 HZ2 LYS B 195 8.508 -9.440 -8.733 1.00 0.00 H new ATOM 0 HZ3 LYS B 195 9.540 -8.233 -9.332 1.00 0.00 H new ATOM 1185 N LYS B 196 7.471 -9.467 -2.354 1.00 0.00 N ATOM 1186 CA LYS B 196 7.759 -10.674 -1.523 1.00 0.00 C ATOM 1187 C LYS B 196 6.637 -11.706 -1.695 1.00 0.00 C ATOM 1188 O LYS B 196 6.845 -12.891 -1.525 1.00 0.00 O ATOM 1189 CB LYS B 196 7.840 -10.172 -0.073 1.00 0.00 C ATOM 1190 CG LYS B 196 6.515 -9.534 0.346 1.00 0.00 C ATOM 1191 CD LYS B 196 6.435 -9.480 1.875 1.00 0.00 C ATOM 1192 CE LYS B 196 4.996 -9.749 2.324 1.00 0.00 C ATOM 1193 NZ LYS B 196 4.986 -9.447 3.782 1.00 0.00 N ATOM 0 H LYS B 196 7.241 -8.623 -1.830 1.00 0.00 H new ATOM 0 HA LYS B 196 8.687 -11.166 -1.816 1.00 0.00 H new ATOM 0 HB2 LYS B 196 8.078 -11.002 0.593 1.00 0.00 H new ATOM 0 HB3 LYS B 196 8.647 -9.445 0.022 1.00 0.00 H new ATOM 0 HG2 LYS B 196 6.436 -8.529 -0.069 1.00 0.00 H new ATOM 0 HG3 LYS B 196 5.680 -10.110 -0.052 1.00 0.00 H new ATOM 0 HD2 LYS B 196 7.107 -10.220 2.311 1.00 0.00 H new ATOM 0 HD3 LYS B 196 6.761 -8.503 2.232 1.00 0.00 H new ATOM 0 HE2 LYS B 196 4.290 -9.118 1.785 1.00 0.00 H new ATOM 0 HE3 LYS B 196 4.709 -10.783 2.133 1.00 0.00 H new ATOM 0 HZ1 LYS B 196 4.003 -9.376 4.115 1.00 0.00 H new ATOM 0 HZ2 LYS B 196 5.472 -10.208 4.298 1.00 0.00 H new ATOM 0 HZ3 LYS B 196 5.476 -8.546 3.953 1.00 0.00 H new ATOM 1207 N GLN B 197 5.452 -11.260 -2.045 1.00 0.00 N ATOM 1208 CA GLN B 197 4.321 -12.215 -2.243 1.00 0.00 C ATOM 1209 C GLN B 197 4.545 -13.017 -3.527 1.00 0.00 C ATOM 1210 O GLN B 197 4.130 -14.154 -3.640 1.00 0.00 O ATOM 1211 CB GLN B 197 3.070 -11.342 -2.366 1.00 0.00 C ATOM 1212 CG GLN B 197 1.832 -12.236 -2.463 1.00 0.00 C ATOM 1213 CD GLN B 197 1.635 -12.982 -1.142 1.00 0.00 C ATOM 1214 OE1 GLN B 197 0.921 -12.525 -0.273 1.00 0.00 O ATOM 1215 NE2 GLN B 197 2.243 -14.121 -0.955 1.00 0.00 N ATOM 0 H GLN B 197 5.223 -10.278 -2.201 1.00 0.00 H new ATOM 0 HA GLN B 197 4.231 -12.929 -1.424 1.00 0.00 H new ATOM 0 HB2 GLN B 197 2.988 -10.682 -1.503 1.00 0.00 H new ATOM 0 HB3 GLN B 197 3.143 -10.706 -3.248 1.00 0.00 H new ATOM 0 HG2 GLN B 197 0.952 -11.633 -2.687 1.00 0.00 H new ATOM 0 HG3 GLN B 197 1.948 -12.947 -3.281 1.00 0.00 H new ATOM 0 HE21 GLN B 197 2.843 -14.505 -1.685 1.00 0.00 H new ATOM 0 HE22 GLN B 197 2.118 -14.628 -0.079 1.00 0.00 H new ATOM 1224 N GLN B 198 5.209 -12.427 -4.491 1.00 0.00 N ATOM 1225 CA GLN B 198 5.477 -13.148 -5.772 1.00 0.00 C ATOM 1226 C GLN B 198 6.341 -14.378 -5.501 1.00 0.00 C ATOM 1227 O GLN B 198 6.110 -15.442 -6.044 1.00 0.00 O ATOM 1228 CB GLN B 198 6.231 -12.148 -6.651 1.00 0.00 C ATOM 1229 CG GLN B 198 6.005 -12.491 -8.125 1.00 0.00 C ATOM 1230 CD GLN B 198 4.702 -11.850 -8.605 1.00 0.00 C ATOM 1231 OE1 GLN B 198 3.851 -12.516 -9.159 1.00 0.00 O ATOM 1232 NE2 GLN B 198 4.509 -10.574 -8.413 1.00 0.00 N ATOM 0 H GLN B 198 5.577 -11.477 -4.445 1.00 0.00 H new ATOM 0 HA GLN B 198 4.561 -13.493 -6.252 1.00 0.00 H new ATOM 0 HB2 GLN B 198 5.886 -11.135 -6.446 1.00 0.00 H new ATOM 0 HB3 GLN B 198 7.296 -12.175 -6.420 1.00 0.00 H new ATOM 0 HG2 GLN B 198 6.841 -12.132 -8.725 1.00 0.00 H new ATOM 0 HG3 GLN B 198 5.960 -13.572 -8.255 1.00 0.00 H new ATOM 0 HE21 GLN B 198 5.224 -10.014 -7.948 1.00 0.00 H new ATOM 0 HE22 GLN B 198 3.643 -10.136 -8.728 1.00 0.00 H new ATOM 1241 N GLN B 199 7.329 -14.237 -4.658 1.00 0.00 N ATOM 1242 CA GLN B 199 8.216 -15.397 -4.335 1.00 0.00 C ATOM 1243 C GLN B 199 7.395 -16.502 -3.669 1.00 0.00 C ATOM 1244 O GLN B 199 7.593 -17.675 -3.927 1.00 0.00 O ATOM 1245 CB GLN B 199 9.267 -14.850 -3.368 1.00 0.00 C ATOM 1246 CG GLN B 199 10.366 -14.136 -4.159 1.00 0.00 C ATOM 1247 CD GLN B 199 11.124 -13.184 -3.234 1.00 0.00 C ATOM 1248 OE1 GLN B 199 11.951 -13.608 -2.451 1.00 0.00 O ATOM 1249 NE2 GLN B 199 10.878 -11.903 -3.291 1.00 0.00 N ATOM 0 H GLN B 199 7.562 -13.368 -4.177 1.00 0.00 H new ATOM 0 HA GLN B 199 8.678 -15.826 -5.224 1.00 0.00 H new ATOM 0 HB2 GLN B 199 8.804 -14.159 -2.664 1.00 0.00 H new ATOM 0 HB3 GLN B 199 9.696 -15.663 -2.782 1.00 0.00 H new ATOM 0 HG2 GLN B 199 11.052 -14.866 -4.588 1.00 0.00 H new ATOM 0 HG3 GLN B 199 9.929 -13.582 -4.990 1.00 0.00 H new ATOM 0 HE21 GLN B 199 10.184 -11.546 -3.948 1.00 0.00 H new ATOM 0 HE22 GLN B 199 11.380 -11.260 -2.679 1.00 0.00 H new ATOM 1258 N LEU B 200 6.469 -16.133 -2.821 1.00 0.00 N ATOM 1259 CA LEU B 200 5.621 -17.155 -2.139 1.00 0.00 C ATOM 1260 C LEU B 200 4.578 -17.691 -3.121 1.00 0.00 C ATOM 1261 O LEU B 200 4.191 -18.844 -3.063 1.00 0.00 O ATOM 1262 CB LEU B 200 4.944 -16.412 -0.985 1.00 0.00 C ATOM 1263 CG LEU B 200 4.901 -17.314 0.250 1.00 0.00 C ATOM 1264 CD1 LEU B 200 6.294 -17.386 0.878 1.00 0.00 C ATOM 1265 CD2 LEU B 200 3.914 -16.736 1.267 1.00 0.00 C ATOM 0 H LEU B 200 6.264 -15.166 -2.571 1.00 0.00 H new ATOM 0 HA LEU B 200 6.199 -18.007 -1.781 1.00 0.00 H new ATOM 0 HB2 LEU B 200 5.489 -15.495 -0.760 1.00 0.00 H new ATOM 0 HB3 LEU B 200 3.933 -16.120 -1.270 1.00 0.00 H new ATOM 0 HG LEU B 200 4.581 -18.315 -0.041 1.00 0.00 H new ATOM 0 HD11 LEU B 200 6.264 -18.029 1.758 1.00 0.00 H new ATOM 0 HD12 LEU B 200 6.999 -17.795 0.154 1.00 0.00 H new ATOM 0 HD13 LEU B 200 6.614 -16.386 1.170 1.00 0.00 H new ATOM 0 HD21 LEU B 200 3.882 -17.377 2.148 1.00 0.00 H new ATOM 0 HD22 LEU B 200 4.235 -15.736 1.558 1.00 0.00 H new ATOM 0 HD23 LEU B 200 2.921 -16.683 0.821 1.00 0.00 H new ATOM 1277 N GLU B 201 4.130 -16.861 -4.028 1.00 0.00 N ATOM 1278 CA GLU B 201 3.119 -17.310 -5.029 1.00 0.00 C ATOM 1279 C GLU B 201 3.806 -18.121 -6.129 1.00 0.00 C ATOM 1280 O GLU B 201 3.222 -19.018 -6.709 1.00 0.00 O ATOM 1281 CB GLU B 201 2.520 -16.025 -5.603 1.00 0.00 C ATOM 1282 CG GLU B 201 1.209 -15.702 -4.882 1.00 0.00 C ATOM 1283 CD GLU B 201 0.041 -16.341 -5.633 1.00 0.00 C ATOM 1284 OE1 GLU B 201 -0.346 -15.802 -6.657 1.00 0.00 O ATOM 1285 OE2 GLU B 201 -0.448 -17.359 -5.172 1.00 0.00 O ATOM 0 H GLU B 201 4.423 -15.888 -4.118 1.00 0.00 H new ATOM 0 HA GLU B 201 2.352 -17.947 -4.588 1.00 0.00 H new ATOM 0 HB2 GLU B 201 3.223 -15.200 -5.487 1.00 0.00 H new ATOM 0 HB3 GLU B 201 2.340 -16.142 -6.672 1.00 0.00 H new ATOM 0 HG2 GLU B 201 1.244 -16.074 -3.858 1.00 0.00 H new ATOM 0 HG3 GLU B 201 1.070 -14.622 -4.824 1.00 0.00 H new