USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 582 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 65 THR OG1 : rot -160:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -135:sc= -0.293 (180deg=-0.919) USER MOD Single : A 68 GLN : amide:sc= -1.95 X(o=-2,f=-1.5) 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 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ -168:sc= 1.05 (180deg=0.819) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 85 GLN : amide:sc= -0.581 X(o=-0.58,f=-0.27) USER MOD Single : A 89 GLN : amide:sc= -0.204 X(o=-0.2,f=0) USER MOD Single : B 168 SER OG : rot -51:sc= 0.18 USER MOD Single : B 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 174 GLN : amide:sc= -0.0423 X(o=-0.042,f=-0.38) USER MOD Single : B 175 ASN : amide:sc= -0.265 X(o=-0.27,f=-0.63) USER MOD Single : B 176 MET CE :methyl 167:sc= -9.27! (180deg=-10.1!) USER MOD Single : B 184 THR OG1 : rot 180:sc= 0 USER MOD Single : B 185 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 188 GLN : amide:sc= -0.407 X(o=-0.41,f=-0.54) USER MOD Single : B 189 GLN : amide:sc= -0.496 X(o=-0.5,f=-0.26) USER MOD Single : B 191 SER OG : rot 42:sc= -0.422 USER MOD Single : B 192 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 194 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.0698) USER MOD Single : B 195 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 196 LYS NZ :NH3+ 161:sc= -2.12! (180deg=-2.92!) USER MOD Single : B 197 GLN : amide:sc= -4.44 X(o=-4.4,f=-4!) USER MOD Single : B 198 GLN : amide:sc= -0.362 X(o=-0.36,f=-0.086) USER MOD Single : B 199 GLN : amide:sc= -0.256 X(o=-0.26,f=-0.029) USER MOD ----------------------------------------------------------------- ATOM 161 N LEU A 62 0.266 -18.530 2.024 1.00 0.00 N ATOM 162 CA LEU A 62 0.061 -17.299 1.202 1.00 0.00 C ATOM 163 C LEU A 62 -1.247 -16.616 1.608 1.00 0.00 C ATOM 164 O LEU A 62 -1.386 -15.412 1.505 1.00 0.00 O ATOM 165 CB LEU A 62 -0.015 -17.787 -0.246 1.00 0.00 C ATOM 166 CG LEU A 62 0.686 -16.782 -1.162 1.00 0.00 C ATOM 167 CD1 LEU A 62 1.355 -17.525 -2.320 1.00 0.00 C ATOM 168 CD2 LEU A 62 -0.343 -15.795 -1.719 1.00 0.00 C ATOM 0 HA LEU A 62 0.862 -16.572 1.339 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.455 -18.766 -0.336 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.056 -17.905 -0.547 1.00 0.00 H new ATOM 0 HG LEU A 62 1.441 -16.240 -0.593 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.854 -16.808 -2.972 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.088 -18.229 -1.926 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.600 -18.068 -2.888 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.156 -15.079 -2.372 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.098 -16.338 -2.287 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.821 -15.264 -0.896 1.00 0.00 H new ATOM 180 N GLU A 63 -2.204 -17.380 2.073 1.00 0.00 N ATOM 181 CA GLU A 63 -3.507 -16.782 2.493 1.00 0.00 C ATOM 182 C GLU A 63 -3.295 -15.863 3.696 1.00 0.00 C ATOM 183 O GLU A 63 -3.975 -14.865 3.852 1.00 0.00 O ATOM 184 CB GLU A 63 -4.397 -17.968 2.873 1.00 0.00 C ATOM 185 CG GLU A 63 -5.835 -17.484 3.074 1.00 0.00 C ATOM 186 CD GLU A 63 -6.616 -17.648 1.769 1.00 0.00 C ATOM 187 OE1 GLU A 63 -6.198 -17.078 0.775 1.00 0.00 O ATOM 188 OE2 GLU A 63 -7.620 -18.342 1.786 1.00 0.00 O ATOM 0 H GLU A 63 -2.138 -18.392 2.180 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.957 -16.181 1.703 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.363 -18.727 2.091 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.028 -18.435 3.786 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.314 -18.054 3.871 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.838 -16.439 3.383 1.00 0.00 H new ATOM 195 N GLU A 64 -2.352 -16.189 4.542 1.00 0.00 N ATOM 196 CA GLU A 64 -2.084 -15.333 5.737 1.00 0.00 C ATOM 197 C GLU A 64 -1.336 -14.070 5.311 1.00 0.00 C ATOM 198 O GLU A 64 -1.566 -12.995 5.831 1.00 0.00 O ATOM 199 CB GLU A 64 -1.218 -16.188 6.663 1.00 0.00 C ATOM 200 CG GLU A 64 -1.526 -15.836 8.120 1.00 0.00 C ATOM 201 CD GLU A 64 -0.554 -16.576 9.041 1.00 0.00 C ATOM 202 OE1 GLU A 64 -0.203 -17.700 8.720 1.00 0.00 O ATOM 203 OE2 GLU A 64 -0.176 -16.005 10.052 1.00 0.00 O ATOM 0 H GLU A 64 -1.755 -17.012 4.457 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.001 -15.013 6.232 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.411 -17.246 6.485 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.162 -16.017 6.452 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.439 -14.760 8.271 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.553 -16.110 8.362 1.00 0.00 H new ATOM 210 N THR A 65 -0.448 -14.197 4.360 1.00 0.00 N ATOM 211 CA THR A 65 0.316 -13.007 3.879 1.00 0.00 C ATOM 212 C THR A 65 -0.603 -12.110 3.049 1.00 0.00 C ATOM 213 O THR A 65 -0.446 -10.904 3.019 1.00 0.00 O ATOM 214 CB THR A 65 1.445 -13.573 3.014 1.00 0.00 C ATOM 215 OG1 THR A 65 2.164 -14.549 3.755 1.00 0.00 O ATOM 216 CG2 THR A 65 2.391 -12.443 2.602 1.00 0.00 C ATOM 0 H THR A 65 -0.218 -15.075 3.895 1.00 0.00 H new ATOM 0 HA THR A 65 0.707 -12.403 4.698 1.00 0.00 H new ATOM 0 HB THR A 65 1.022 -14.033 2.121 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.048 -14.680 3.352 1.00 0.00 H new ATOM 0 HG21 THR A 65 3.194 -12.847 1.986 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.839 -11.695 2.033 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.815 -11.980 3.493 1.00 0.00 H new ATOM 224 N LYS A 66 -1.568 -12.695 2.384 1.00 0.00 N ATOM 225 CA LYS A 66 -2.512 -11.882 1.560 1.00 0.00 C ATOM 226 C LYS A 66 -3.420 -11.056 2.475 1.00 0.00 C ATOM 227 O LYS A 66 -3.885 -9.994 2.106 1.00 0.00 O ATOM 228 CB LYS A 66 -3.334 -12.898 0.764 1.00 0.00 C ATOM 229 CG LYS A 66 -2.669 -13.142 -0.593 1.00 0.00 C ATOM 230 CD LYS A 66 -2.968 -11.969 -1.530 1.00 0.00 C ATOM 231 CE LYS A 66 -4.180 -12.304 -2.405 1.00 0.00 C ATOM 232 NZ LYS A 66 -5.319 -11.571 -1.783 1.00 0.00 N ATOM 0 H LYS A 66 -1.742 -13.700 2.377 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.992 -11.184 0.904 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.410 -13.834 1.317 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.350 -12.529 0.622 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.592 -13.254 -0.467 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.037 -14.071 -1.028 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.164 -11.068 -0.949 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.101 -11.761 -2.157 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.022 -11.987 -3.436 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.366 -13.378 -2.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.146 -12.199 -1.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.052 -11.262 -0.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -5.554 -10.740 -2.362 1.00 0.00 H new ATOM 246 N GLU A 67 -3.671 -11.538 3.668 1.00 0.00 N ATOM 247 CA GLU A 67 -4.548 -10.783 4.613 1.00 0.00 C ATOM 248 C GLU A 67 -3.868 -9.478 5.032 1.00 0.00 C ATOM 249 O GLU A 67 -4.510 -8.454 5.172 1.00 0.00 O ATOM 250 CB GLU A 67 -4.732 -11.705 5.822 1.00 0.00 C ATOM 251 CG GLU A 67 -6.129 -11.499 6.412 1.00 0.00 C ATOM 252 CD GLU A 67 -6.109 -11.836 7.904 1.00 0.00 C ATOM 253 OE1 GLU A 67 -5.504 -12.835 8.256 1.00 0.00 O ATOM 254 OE2 GLU A 67 -6.697 -11.089 8.668 1.00 0.00 O ATOM 0 H GLU A 67 -3.306 -12.421 4.027 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.503 -10.516 4.161 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.601 -12.745 5.523 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.973 -11.492 6.574 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.448 -10.467 6.266 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.850 -12.132 5.895 1.00 0.00 H new ATOM 261 N GLN A 68 -2.575 -9.510 5.222 1.00 0.00 N ATOM 262 CA GLN A 68 -1.846 -8.268 5.624 1.00 0.00 C ATOM 263 C GLN A 68 -1.767 -7.312 4.436 1.00 0.00 C ATOM 264 O GLN A 68 -1.932 -6.115 4.577 1.00 0.00 O ATOM 265 CB GLN A 68 -0.448 -8.733 6.037 1.00 0.00 C ATOM 266 CG GLN A 68 0.109 -7.794 7.110 1.00 0.00 C ATOM 267 CD GLN A 68 0.316 -6.400 6.515 1.00 0.00 C ATOM 268 OE1 GLN A 68 1.313 -6.145 5.870 1.00 0.00 O ATOM 269 NE2 GLN A 68 -0.589 -5.479 6.706 1.00 0.00 N ATOM 0 H GLN A 68 -1.992 -10.340 5.117 1.00 0.00 H new ATOM 0 HA GLN A 68 -2.345 -7.737 6.435 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -0.491 -9.753 6.419 1.00 0.00 H new ATOM 0 HB3 GLN A 68 0.213 -8.745 5.171 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -0.579 -7.742 7.954 1.00 0.00 H new ATOM 0 HG3 GLN A 68 1.054 -8.181 7.492 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -1.427 -5.692 7.247 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -0.458 -4.547 6.314 1.00 0.00 H new ATOM 278 N ILE A 69 -1.528 -7.840 3.267 1.00 0.00 N ATOM 279 CA ILE A 69 -1.447 -6.976 2.051 1.00 0.00 C ATOM 280 C ILE A 69 -2.835 -6.407 1.734 1.00 0.00 C ATOM 281 O ILE A 69 -2.960 -5.347 1.149 1.00 0.00 O ATOM 282 CB ILE A 69 -0.962 -7.897 0.924 1.00 0.00 C ATOM 283 CG1 ILE A 69 0.407 -8.480 1.292 1.00 0.00 C ATOM 284 CG2 ILE A 69 -0.835 -7.102 -0.379 1.00 0.00 C ATOM 285 CD1 ILE A 69 0.659 -9.750 0.479 1.00 0.00 C ATOM 0 H ILE A 69 -1.385 -8.836 3.099 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.773 -6.130 2.184 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.682 -8.704 0.789 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.190 -7.748 1.094 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.443 -8.705 2.358 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.490 -7.761 -1.175 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.806 -6.686 -0.647 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.118 -6.292 -0.243 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.633 -10.163 0.742 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.117 -10.483 0.699 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.641 -9.511 -0.584 1.00 0.00 H new ATOM 297 N LEU A 70 -3.877 -7.101 2.127 1.00 0.00 N ATOM 298 CA LEU A 70 -5.259 -6.599 1.859 1.00 0.00 C ATOM 299 C LEU A 70 -5.530 -5.351 2.703 1.00 0.00 C ATOM 300 O LEU A 70 -6.175 -4.420 2.258 1.00 0.00 O ATOM 301 CB LEU A 70 -6.200 -7.747 2.270 1.00 0.00 C ATOM 302 CG LEU A 70 -6.887 -8.347 1.033 1.00 0.00 C ATOM 303 CD1 LEU A 70 -7.712 -7.271 0.320 1.00 0.00 C ATOM 304 CD2 LEU A 70 -5.832 -8.904 0.070 1.00 0.00 C ATOM 0 H LEU A 70 -3.828 -7.992 2.621 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.402 -6.321 0.815 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.635 -8.520 2.791 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.952 -7.377 2.968 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.547 -9.154 1.352 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.196 -7.704 -0.556 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.471 -6.884 1.000 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.057 -6.458 0.008 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.325 -9.328 -0.805 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.165 -8.101 -0.243 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.254 -9.680 0.572 1.00 0.00 H new ATOM 316 N LYS A 71 -5.036 -5.326 3.917 1.00 0.00 N ATOM 317 CA LYS A 71 -5.257 -4.135 4.795 1.00 0.00 C ATOM 318 C LYS A 71 -4.486 -2.933 4.244 1.00 0.00 C ATOM 319 O LYS A 71 -4.905 -1.800 4.383 1.00 0.00 O ATOM 320 CB LYS A 71 -4.713 -4.539 6.166 1.00 0.00 C ATOM 321 CG LYS A 71 -4.952 -3.405 7.167 1.00 0.00 C ATOM 322 CD LYS A 71 -5.228 -3.995 8.551 1.00 0.00 C ATOM 323 CE LYS A 71 -4.819 -2.987 9.628 1.00 0.00 C ATOM 324 NZ LYS A 71 -5.812 -3.167 10.722 1.00 0.00 N ATOM 0 H LYS A 71 -4.490 -6.078 4.337 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.307 -3.848 4.848 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.203 -5.450 6.509 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.647 -4.757 6.096 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.081 -2.751 7.206 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.796 -2.794 6.846 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.286 -4.239 8.649 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.673 -4.925 8.679 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.805 -3.176 9.981 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.838 -1.968 9.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.597 -2.509 11.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.767 -2.974 10.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.767 -4.144 11.075 1.00 0.00 H new ATOM 338 N LEU A 72 -3.365 -3.178 3.617 1.00 0.00 N ATOM 339 CA LEU A 72 -2.558 -2.056 3.048 1.00 0.00 C ATOM 340 C LEU A 72 -3.298 -1.424 1.868 1.00 0.00 C ATOM 341 O LEU A 72 -3.151 -0.249 1.591 1.00 0.00 O ATOM 342 CB LEU A 72 -1.249 -2.697 2.580 1.00 0.00 C ATOM 343 CG LEU A 72 -0.187 -2.557 3.676 1.00 0.00 C ATOM 344 CD1 LEU A 72 1.082 -3.299 3.253 1.00 0.00 C ATOM 345 CD2 LEU A 72 0.135 -1.074 3.893 1.00 0.00 C ATOM 0 H LEU A 72 -2.972 -4.108 3.474 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.382 -1.265 3.777 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.410 -3.750 2.348 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.905 -2.218 1.663 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.566 -2.984 4.605 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.838 -3.200 4.032 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.853 -4.354 3.101 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.460 -2.873 2.324 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.890 -0.976 4.673 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.513 -0.644 2.965 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.769 -0.546 4.195 1.00 0.00 H new ATOM 357 N GLU A 73 -4.094 -2.198 1.174 1.00 0.00 N ATOM 358 CA GLU A 73 -4.852 -1.647 0.010 1.00 0.00 C ATOM 359 C GLU A 73 -5.955 -0.710 0.502 1.00 0.00 C ATOM 360 O GLU A 73 -6.310 0.248 -0.160 1.00 0.00 O ATOM 361 CB GLU A 73 -5.454 -2.863 -0.695 1.00 0.00 C ATOM 362 CG GLU A 73 -4.468 -3.390 -1.740 1.00 0.00 C ATOM 363 CD GLU A 73 -5.163 -4.429 -2.621 1.00 0.00 C ATOM 364 OE1 GLU A 73 -6.281 -4.173 -3.035 1.00 0.00 O ATOM 365 OE2 GLU A 73 -4.566 -5.465 -2.864 1.00 0.00 O ATOM 0 H GLU A 73 -4.252 -3.188 1.363 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.215 -1.070 -0.660 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -5.680 -3.643 0.032 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.395 -2.590 -1.173 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.097 -2.568 -2.353 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -3.604 -3.835 -1.247 1.00 0.00 H new ATOM 372 N GLU A 74 -6.493 -0.976 1.665 1.00 0.00 N ATOM 373 CA GLU A 74 -7.569 -0.100 2.215 1.00 0.00 C ATOM 374 C GLU A 74 -6.952 1.171 2.796 1.00 0.00 C ATOM 375 O GLU A 74 -7.550 2.231 2.774 1.00 0.00 O ATOM 376 CB GLU A 74 -8.240 -0.927 3.315 1.00 0.00 C ATOM 377 CG GLU A 74 -9.552 -1.515 2.790 1.00 0.00 C ATOM 378 CD GLU A 74 -10.119 -2.496 3.819 1.00 0.00 C ATOM 379 OE1 GLU A 74 -9.598 -3.596 3.910 1.00 0.00 O ATOM 380 OE2 GLU A 74 -11.065 -2.130 4.499 1.00 0.00 O ATOM 0 H GLU A 74 -6.232 -1.764 2.258 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.285 0.208 1.453 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.575 -1.728 3.638 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.433 -0.302 4.187 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.270 -0.717 2.598 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.381 -2.024 1.842 1.00 0.00 H new ATOM 387 N LYS A 75 -5.752 1.069 3.307 1.00 0.00 N ATOM 388 CA LYS A 75 -5.075 2.268 3.885 1.00 0.00 C ATOM 389 C LYS A 75 -4.590 3.182 2.758 1.00 0.00 C ATOM 390 O LYS A 75 -4.511 4.386 2.915 1.00 0.00 O ATOM 391 CB LYS A 75 -3.889 1.718 4.678 1.00 0.00 C ATOM 392 CG LYS A 75 -3.255 2.844 5.498 1.00 0.00 C ATOM 393 CD LYS A 75 -1.764 2.559 5.689 1.00 0.00 C ATOM 394 CE LYS A 75 -1.117 3.715 6.456 1.00 0.00 C ATOM 395 NZ LYS A 75 -0.126 3.068 7.360 1.00 0.00 N ATOM 0 H LYS A 75 -5.211 0.205 3.349 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.741 2.857 4.515 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.220 0.916 5.338 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.152 1.289 3.999 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -3.391 3.799 4.991 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.748 2.925 6.467 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.628 1.625 6.235 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.280 2.435 4.720 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.633 4.417 5.777 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.859 4.278 7.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.360 3.797 7.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.617 2.410 7.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.571 2.545 6.793 1.00 0.00 H new ATOM 409 N LEU A 76 -4.272 2.615 1.620 1.00 0.00 N ATOM 410 CA LEU A 76 -3.796 3.446 0.474 1.00 0.00 C ATOM 411 C LEU A 76 -4.963 4.239 -0.113 1.00 0.00 C ATOM 412 O LEU A 76 -4.803 5.362 -0.553 1.00 0.00 O ATOM 413 CB LEU A 76 -3.249 2.451 -0.551 1.00 0.00 C ATOM 414 CG LEU A 76 -2.594 3.213 -1.704 1.00 0.00 C ATOM 415 CD1 LEU A 76 -1.200 3.678 -1.282 1.00 0.00 C ATOM 416 CD2 LEU A 76 -2.476 2.293 -2.921 1.00 0.00 C ATOM 0 H LEU A 76 -4.322 1.613 1.437 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.036 4.167 0.775 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.522 1.789 -0.079 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.055 1.822 -0.929 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.204 4.079 -1.959 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.733 4.221 -2.104 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.282 4.333 -0.415 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.589 2.812 -1.026 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.009 2.835 -3.743 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.866 1.427 -2.665 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.469 1.960 -3.223 1.00 0.00 H new ATOM 428 N LEU A 77 -6.138 3.663 -0.112 1.00 0.00 N ATOM 429 CA LEU A 77 -7.327 4.383 -0.660 1.00 0.00 C ATOM 430 C LEU A 77 -7.778 5.449 0.335 1.00 0.00 C ATOM 431 O LEU A 77 -8.192 6.529 -0.044 1.00 0.00 O ATOM 432 CB LEU A 77 -8.406 3.312 -0.833 1.00 0.00 C ATOM 433 CG LEU A 77 -8.007 2.362 -1.963 1.00 0.00 C ATOM 434 CD1 LEU A 77 -8.814 1.069 -1.853 1.00 0.00 C ATOM 435 CD2 LEU A 77 -8.294 3.028 -3.311 1.00 0.00 C ATOM 0 H LEU A 77 -6.325 2.726 0.244 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.114 4.886 -1.603 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.533 2.756 0.096 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.364 3.780 -1.058 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.944 2.133 -1.887 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.529 0.393 -2.659 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.612 0.595 -0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.877 1.296 -1.929 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.010 2.353 -4.118 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.357 3.256 -3.385 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -7.719 3.951 -3.391 1.00 0.00 H new ATOM 447 N ALA A 78 -7.680 5.158 1.605 1.00 0.00 N ATOM 448 CA ALA A 78 -8.082 6.157 2.639 1.00 0.00 C ATOM 449 C ALA A 78 -7.101 7.332 2.617 1.00 0.00 C ATOM 450 O ALA A 78 -7.451 8.450 2.945 1.00 0.00 O ATOM 451 CB ALA A 78 -8.006 5.415 3.975 1.00 0.00 C ATOM 0 H ALA A 78 -7.338 4.270 1.972 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.080 6.559 2.466 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -8.289 6.090 4.783 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -8.687 4.564 3.958 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -6.988 5.062 4.138 1.00 0.00 H new ATOM 457 N LEU A 79 -5.877 7.081 2.225 1.00 0.00 N ATOM 458 CA LEU A 79 -4.862 8.174 2.169 1.00 0.00 C ATOM 459 C LEU A 79 -5.225 9.171 1.067 1.00 0.00 C ATOM 460 O LEU A 79 -5.231 10.367 1.283 1.00 0.00 O ATOM 461 CB LEU A 79 -3.537 7.475 1.846 1.00 0.00 C ATOM 462 CG LEU A 79 -2.395 8.143 2.616 1.00 0.00 C ATOM 463 CD1 LEU A 79 -2.613 7.969 4.121 1.00 0.00 C ATOM 464 CD2 LEU A 79 -1.071 7.490 2.218 1.00 0.00 C ATOM 0 H LEU A 79 -5.537 6.162 1.941 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.807 8.734 3.102 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.598 6.420 2.112 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.342 7.523 0.775 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.371 9.206 2.377 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.797 8.446 4.664 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.558 8.430 4.407 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.639 6.907 4.365 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.254 7.962 2.764 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.102 6.428 2.459 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.912 7.614 1.147 1.00 0.00 H new ATOM 476 N GLN A 80 -5.533 8.684 -0.110 1.00 0.00 N ATOM 477 CA GLN A 80 -5.900 9.605 -1.229 1.00 0.00 C ATOM 478 C GLN A 80 -7.175 10.378 -0.886 1.00 0.00 C ATOM 479 O GLN A 80 -7.401 11.466 -1.381 1.00 0.00 O ATOM 480 CB GLN A 80 -6.132 8.698 -2.441 1.00 0.00 C ATOM 481 CG GLN A 80 -4.846 8.608 -3.265 1.00 0.00 C ATOM 482 CD GLN A 80 -4.837 7.298 -4.055 1.00 0.00 C ATOM 483 OE1 GLN A 80 -5.510 7.177 -5.060 1.00 0.00 O ATOM 484 NE2 GLN A 80 -4.099 6.305 -3.642 1.00 0.00 N ATOM 0 H GLN A 80 -5.546 7.691 -0.343 1.00 0.00 H new ATOM 0 HA GLN A 80 -5.122 10.345 -1.420 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -6.436 7.704 -2.112 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -6.942 9.093 -3.054 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -4.778 9.456 -3.946 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -3.977 8.655 -2.609 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -3.534 6.406 -2.799 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -4.087 5.428 -4.162 1.00 0.00 H new ATOM 493 N GLU A 81 -8.009 9.826 -0.040 1.00 0.00 N ATOM 494 CA GLU A 81 -9.271 10.530 0.339 1.00 0.00 C ATOM 495 C GLU A 81 -8.959 11.714 1.254 1.00 0.00 C ATOM 496 O GLU A 81 -9.661 12.709 1.252 1.00 0.00 O ATOM 497 CB GLU A 81 -10.111 9.485 1.077 1.00 0.00 C ATOM 498 CG GLU A 81 -11.020 8.763 0.082 1.00 0.00 C ATOM 499 CD GLU A 81 -12.380 9.462 0.031 1.00 0.00 C ATOM 500 OE1 GLU A 81 -13.131 9.325 0.982 1.00 0.00 O ATOM 501 OE2 GLU A 81 -12.649 10.123 -0.959 1.00 0.00 O ATOM 0 H GLU A 81 -7.870 8.918 0.404 1.00 0.00 H new ATOM 0 HA GLU A 81 -9.796 10.928 -0.529 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.460 8.768 1.577 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -10.710 9.965 1.850 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -10.564 8.760 -0.908 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -11.146 7.721 0.378 1.00 0.00 H new ATOM 508 N GLU A 82 -7.908 11.618 2.028 1.00 0.00 N ATOM 509 CA GLU A 82 -7.543 12.744 2.938 1.00 0.00 C ATOM 510 C GLU A 82 -6.884 13.858 2.134 1.00 0.00 C ATOM 511 O GLU A 82 -7.239 15.016 2.263 1.00 0.00 O ATOM 512 CB GLU A 82 -6.561 12.147 3.949 1.00 0.00 C ATOM 513 CG GLU A 82 -7.303 11.806 5.243 1.00 0.00 C ATOM 514 CD GLU A 82 -6.594 10.647 5.949 1.00 0.00 C ATOM 515 OE1 GLU A 82 -5.681 10.915 6.712 1.00 0.00 O ATOM 516 OE2 GLU A 82 -6.976 9.514 5.712 1.00 0.00 O ATOM 0 H GLU A 82 -7.288 10.809 2.069 1.00 0.00 H new ATOM 0 HA GLU A 82 -8.411 13.176 3.437 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.098 11.251 3.536 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.758 12.855 4.154 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -7.336 12.678 5.896 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -8.335 11.534 5.022 1.00 0.00 H new ATOM 523 N LYS A 83 -5.947 13.519 1.285 1.00 0.00 N ATOM 524 CA LYS A 83 -5.290 14.570 0.451 1.00 0.00 C ATOM 525 C LYS A 83 -6.327 15.160 -0.506 1.00 0.00 C ATOM 526 O LYS A 83 -6.208 16.291 -0.940 1.00 0.00 O ATOM 527 CB LYS A 83 -4.148 13.875 -0.322 1.00 0.00 C ATOM 528 CG LYS A 83 -3.307 12.943 0.586 1.00 0.00 C ATOM 529 CD LYS A 83 -3.039 13.579 1.963 1.00 0.00 C ATOM 530 CE LYS A 83 -1.576 13.365 2.361 1.00 0.00 C ATOM 531 NZ LYS A 83 -1.430 14.058 3.671 1.00 0.00 N ATOM 0 H LYS A 83 -5.611 12.568 1.134 1.00 0.00 H new ATOM 0 HA LYS A 83 -4.889 15.385 1.054 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -4.568 13.296 -1.144 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -3.499 14.631 -0.764 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -3.829 11.996 0.718 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -2.359 12.719 0.098 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -3.264 14.645 1.931 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -3.697 13.137 2.711 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -1.341 12.304 2.447 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.899 13.782 1.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.421 14.134 3.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -1.844 15.010 3.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -1.923 13.514 4.408 1.00 0.00 H new ATOM 545 N HIS A 84 -7.365 14.412 -0.815 1.00 0.00 N ATOM 546 CA HIS A 84 -8.431 14.941 -1.715 1.00 0.00 C ATOM 547 C HIS A 84 -9.065 16.180 -1.074 1.00 0.00 C ATOM 548 O HIS A 84 -9.569 17.051 -1.756 1.00 0.00 O ATOM 549 CB HIS A 84 -9.460 13.814 -1.840 1.00 0.00 C ATOM 550 CG HIS A 84 -10.540 14.223 -2.805 1.00 0.00 C ATOM 551 ND1 HIS A 84 -10.278 14.486 -4.140 1.00 0.00 N ATOM 552 CD2 HIS A 84 -11.888 14.418 -2.641 1.00 0.00 C ATOM 553 CE1 HIS A 84 -11.442 14.822 -4.723 1.00 0.00 C ATOM 554 NE2 HIS A 84 -12.457 14.797 -3.855 1.00 0.00 N ATOM 0 H HIS A 84 -7.515 13.460 -0.480 1.00 0.00 H new ATOM 0 HA HIS A 84 -8.045 15.234 -2.691 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -8.975 12.901 -2.186 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -9.894 13.594 -0.865 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -12.426 14.296 -1.713 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -11.544 15.081 -5.767 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -13.437 15.010 -4.041 1.00 0.00 H new ATOM 562 N GLN A 85 -9.028 16.269 0.237 1.00 0.00 N ATOM 563 CA GLN A 85 -9.613 17.462 0.925 1.00 0.00 C ATOM 564 C GLN A 85 -8.913 18.736 0.437 1.00 0.00 C ATOM 565 O GLN A 85 -9.540 19.758 0.233 1.00 0.00 O ATOM 566 CB GLN A 85 -9.352 17.243 2.417 1.00 0.00 C ATOM 567 CG GLN A 85 -10.260 18.162 3.236 1.00 0.00 C ATOM 568 CD GLN A 85 -11.708 17.685 3.118 1.00 0.00 C ATOM 569 OE1 GLN A 85 -12.122 16.782 3.817 1.00 0.00 O ATOM 570 NE2 GLN A 85 -12.503 18.259 2.257 1.00 0.00 N ATOM 0 H GLN A 85 -8.619 15.569 0.856 1.00 0.00 H new ATOM 0 HA GLN A 85 -10.677 17.577 0.719 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -9.538 16.202 2.680 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.307 17.448 2.648 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -9.949 18.161 4.281 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.174 19.188 2.879 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -12.156 19.017 1.670 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -13.471 17.949 2.171 1.00 0.00 H new ATOM 579 N LEU A 86 -7.619 18.671 0.235 1.00 0.00 N ATOM 580 CA LEU A 86 -6.877 19.870 -0.259 1.00 0.00 C ATOM 581 C LEU A 86 -7.312 20.173 -1.694 1.00 0.00 C ATOM 582 O LEU A 86 -7.389 21.316 -2.102 1.00 0.00 O ATOM 583 CB LEU A 86 -5.392 19.485 -0.213 1.00 0.00 C ATOM 584 CG LEU A 86 -4.579 20.638 0.387 1.00 0.00 C ATOM 585 CD1 LEU A 86 -4.343 20.379 1.877 1.00 0.00 C ATOM 586 CD2 LEU A 86 -3.231 20.741 -0.330 1.00 0.00 C ATOM 0 H LEU A 86 -7.047 17.841 0.391 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.071 20.759 0.341 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.258 18.583 0.384 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.034 19.258 -1.217 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.130 21.570 0.263 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.765 21.200 2.302 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.302 20.307 2.390 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.794 19.446 2.002 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.653 21.561 0.097 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.681 19.808 -0.207 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.397 20.928 -1.391 1.00 0.00 H new ATOM 598 N PHE A 87 -7.604 19.148 -2.456 1.00 0.00 N ATOM 599 CA PHE A 87 -8.048 19.361 -3.869 1.00 0.00 C ATOM 600 C PHE A 87 -9.351 20.162 -3.888 1.00 0.00 C ATOM 601 O PHE A 87 -9.619 20.902 -4.816 1.00 0.00 O ATOM 602 CB PHE A 87 -8.271 17.957 -4.443 1.00 0.00 C ATOM 603 CG PHE A 87 -7.081 17.554 -5.282 1.00 0.00 C ATOM 604 CD1 PHE A 87 -7.026 17.911 -6.634 1.00 0.00 C ATOM 605 CD2 PHE A 87 -6.035 16.822 -4.708 1.00 0.00 C ATOM 606 CE1 PHE A 87 -5.924 17.537 -7.413 1.00 0.00 C ATOM 607 CE2 PHE A 87 -4.932 16.447 -5.487 1.00 0.00 C ATOM 608 CZ PHE A 87 -4.877 16.805 -6.839 1.00 0.00 C ATOM 0 H PHE A 87 -7.554 18.173 -2.161 1.00 0.00 H new ATOM 0 HA PHE A 87 -7.316 19.920 -4.452 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -8.416 17.242 -3.633 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -9.177 17.941 -5.049 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -7.834 18.475 -7.077 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.078 16.546 -3.665 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.882 17.813 -8.456 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -4.125 15.882 -5.044 1.00 0.00 H new ATOM 0 HZ PHE A 87 -4.027 16.517 -7.440 1.00 0.00 H new ATOM 618 N LEU A 88 -10.157 20.022 -2.866 1.00 0.00 N ATOM 619 CA LEU A 88 -11.445 20.780 -2.814 1.00 0.00 C ATOM 620 C LEU A 88 -11.167 22.271 -2.596 1.00 0.00 C ATOM 621 O LEU A 88 -11.935 23.119 -3.006 1.00 0.00 O ATOM 622 CB LEU A 88 -12.209 20.197 -1.622 1.00 0.00 C ATOM 623 CG LEU A 88 -13.190 19.132 -2.116 1.00 0.00 C ATOM 624 CD1 LEU A 88 -12.522 17.757 -2.059 1.00 0.00 C ATOM 625 CD2 LEU A 88 -14.432 19.132 -1.222 1.00 0.00 C ATOM 0 H LEU A 88 -9.979 19.416 -2.065 1.00 0.00 H new ATOM 0 HA LEU A 88 -12.013 20.691 -3.740 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -11.511 19.760 -0.908 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -12.747 20.988 -1.099 1.00 0.00 H new ATOM 0 HG LEU A 88 -13.480 19.353 -3.143 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -13.221 16.998 -2.411 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -11.636 17.756 -2.694 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -12.233 17.535 -1.032 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -15.132 18.374 -1.572 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -14.141 18.911 -0.195 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -14.908 20.112 -1.261 1.00 0.00 H new ATOM 637 N GLN A 89 -10.071 22.590 -1.953 1.00 0.00 N ATOM 638 CA GLN A 89 -9.731 24.023 -1.703 1.00 0.00 C ATOM 639 C GLN A 89 -8.787 24.565 -2.790 1.00 0.00 C ATOM 640 O GLN A 89 -8.502 25.746 -2.829 1.00 0.00 O ATOM 641 CB GLN A 89 -9.034 24.029 -0.342 1.00 0.00 C ATOM 642 CG GLN A 89 -10.015 23.571 0.738 1.00 0.00 C ATOM 643 CD GLN A 89 -9.313 23.564 2.096 1.00 0.00 C ATOM 644 OE1 GLN A 89 -9.835 24.078 3.066 1.00 0.00 O ATOM 645 NE2 GLN A 89 -8.142 22.998 2.209 1.00 0.00 N ATOM 0 H GLN A 89 -9.396 21.917 -1.590 1.00 0.00 H new ATOM 0 HA GLN A 89 -10.617 24.658 -1.720 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -8.167 23.369 -0.363 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -8.668 25.030 -0.114 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -10.878 24.237 0.766 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -10.389 22.574 0.505 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -7.703 22.567 1.395 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -7.666 22.987 3.111 1.00 0.00 H new ATOM 654 N LEU A 90 -8.298 23.717 -3.670 1.00 0.00 N ATOM 655 CA LEU A 90 -7.373 24.198 -4.748 1.00 0.00 C ATOM 656 C LEU A 90 -8.041 25.306 -5.571 1.00 0.00 C ATOM 657 O LEU A 90 -9.030 25.016 -6.224 1.00 0.00 O ATOM 658 CB LEU A 90 -7.103 22.968 -5.628 1.00 0.00 C ATOM 659 CG LEU A 90 -5.747 23.102 -6.341 1.00 0.00 C ATOM 660 CD1 LEU A 90 -5.738 24.353 -7.225 1.00 0.00 C ATOM 661 CD2 LEU A 90 -4.621 23.197 -5.305 1.00 0.00 C ATOM 662 OXT LEU A 90 -7.550 26.423 -5.534 1.00 0.00 O ATOM 0 H LEU A 90 -8.499 22.717 -3.687 1.00 0.00 H new ATOM 0 HA LEU A 90 -6.454 24.616 -4.338 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.111 22.067 -5.015 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.899 22.859 -6.365 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.590 22.223 -6.966 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -4.773 24.438 -7.725 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.528 24.277 -7.972 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.906 25.236 -6.608 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.663 23.292 -5.816 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.782 24.069 -4.672 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.616 22.298 -4.689 1.00 0.00 H new ATOM 675 N GLY B 166 -7.394 28.997 -5.205 1.00 0.00 N ATOM 676 CA GLY B 166 -7.611 28.854 -3.737 1.00 0.00 C ATOM 677 C GLY B 166 -7.122 30.113 -3.023 1.00 0.00 C ATOM 678 O GLY B 166 -7.301 31.220 -3.493 1.00 0.00 O ATOM 0 HA2 GLY B 166 -8.669 28.693 -3.529 1.00 0.00 H new ATOM 0 HA3 GLY B 166 -7.077 27.981 -3.363 1.00 0.00 H new ATOM 684 N LEU B 167 -6.505 29.939 -1.886 1.00 0.00 N ATOM 685 CA LEU B 167 -5.983 31.108 -1.103 1.00 0.00 C ATOM 686 C LEU B 167 -5.125 32.039 -1.979 1.00 0.00 C ATOM 687 O LEU B 167 -5.296 33.244 -1.954 1.00 0.00 O ATOM 688 CB LEU B 167 -5.145 30.501 0.039 1.00 0.00 C ATOM 689 CG LEU B 167 -4.129 29.474 -0.499 1.00 0.00 C ATOM 690 CD1 LEU B 167 -2.736 30.099 -0.547 1.00 0.00 C ATOM 691 CD2 LEU B 167 -4.106 28.247 0.417 1.00 0.00 C ATOM 0 H LEU B 167 -6.336 29.029 -1.457 1.00 0.00 H new ATOM 0 HA LEU B 167 -6.799 31.723 -0.724 1.00 0.00 H new ATOM 0 HB2 LEU B 167 -4.618 31.295 0.568 1.00 0.00 H new ATOM 0 HB3 LEU B 167 -5.804 30.020 0.761 1.00 0.00 H new ATOM 0 HG LEU B 167 -4.423 29.173 -1.504 1.00 0.00 H new ATOM 0 HD11 LEU B 167 -2.022 29.368 -0.928 1.00 0.00 H new ATOM 0 HD12 LEU B 167 -2.750 30.969 -1.203 1.00 0.00 H new ATOM 0 HD13 LEU B 167 -2.440 30.406 0.456 1.00 0.00 H new ATOM 0 HD21 LEU B 167 -3.387 27.522 0.036 1.00 0.00 H new ATOM 0 HD22 LEU B 167 -3.817 28.550 1.423 1.00 0.00 H new ATOM 0 HD23 LEU B 167 -5.098 27.795 0.445 1.00 0.00 H new ATOM 703 N SER B 168 -4.209 31.498 -2.746 1.00 0.00 N ATOM 704 CA SER B 168 -3.350 32.361 -3.616 1.00 0.00 C ATOM 705 C SER B 168 -2.860 31.593 -4.853 1.00 0.00 C ATOM 706 O SER B 168 -1.933 32.015 -5.516 1.00 0.00 O ATOM 707 CB SER B 168 -2.167 32.750 -2.730 1.00 0.00 C ATOM 708 OG SER B 168 -1.487 33.854 -3.314 1.00 0.00 O ATOM 0 H SER B 168 -4.020 30.498 -2.807 1.00 0.00 H new ATOM 0 HA SER B 168 -3.896 33.227 -3.991 1.00 0.00 H new ATOM 0 HB2 SER B 168 -2.516 33.010 -1.731 1.00 0.00 H new ATOM 0 HB3 SER B 168 -1.487 31.906 -2.620 1.00 0.00 H new ATOM 0 HG SER B 168 -1.289 33.657 -4.253 1.00 0.00 H new ATOM 714 N LYS B 169 -3.469 30.469 -5.170 1.00 0.00 N ATOM 715 CA LYS B 169 -3.038 29.670 -6.364 1.00 0.00 C ATOM 716 C LYS B 169 -1.521 29.447 -6.357 1.00 0.00 C ATOM 717 O LYS B 169 -0.906 29.267 -7.391 1.00 0.00 O ATOM 718 CB LYS B 169 -3.454 30.499 -7.578 1.00 0.00 C ATOM 719 CG LYS B 169 -3.656 29.572 -8.778 1.00 0.00 C ATOM 720 CD LYS B 169 -4.897 28.706 -8.550 1.00 0.00 C ATOM 721 CE LYS B 169 -5.339 28.088 -9.879 1.00 0.00 C ATOM 722 NZ LYS B 169 -6.339 29.043 -10.433 1.00 0.00 N ATOM 0 H LYS B 169 -4.250 30.071 -4.649 1.00 0.00 H new ATOM 0 HA LYS B 169 -3.495 28.681 -6.370 1.00 0.00 H new ATOM 0 HB2 LYS B 169 -4.375 31.042 -7.364 1.00 0.00 H new ATOM 0 HB3 LYS B 169 -2.690 31.243 -7.803 1.00 0.00 H new ATOM 0 HG2 LYS B 169 -3.771 30.159 -9.689 1.00 0.00 H new ATOM 0 HG3 LYS B 169 -2.778 28.940 -8.915 1.00 0.00 H new ATOM 0 HD2 LYS B 169 -4.678 27.921 -7.827 1.00 0.00 H new ATOM 0 HD3 LYS B 169 -5.703 29.309 -8.131 1.00 0.00 H new ATOM 0 HE2 LYS B 169 -4.494 27.963 -10.557 1.00 0.00 H new ATOM 0 HE3 LYS B 169 -5.776 27.101 -9.729 1.00 0.00 H new ATOM 0 HZ1 LYS B 169 -6.689 28.688 -11.346 1.00 0.00 H new ATOM 0 HZ2 LYS B 169 -7.134 29.137 -9.769 1.00 0.00 H new ATOM 0 HZ3 LYS B 169 -5.892 29.972 -10.571 1.00 0.00 H new ATOM 736 N GLU B 170 -0.921 29.461 -5.195 1.00 0.00 N ATOM 737 CA GLU B 170 0.552 29.253 -5.106 1.00 0.00 C ATOM 738 C GLU B 170 0.910 28.629 -3.760 1.00 0.00 C ATOM 739 O GLU B 170 1.660 27.672 -3.693 1.00 0.00 O ATOM 740 CB GLU B 170 1.162 30.650 -5.234 1.00 0.00 C ATOM 741 CG GLU B 170 2.531 30.549 -5.909 1.00 0.00 C ATOM 742 CD GLU B 170 3.068 31.953 -6.189 1.00 0.00 C ATOM 743 OE1 GLU B 170 2.360 32.723 -6.816 1.00 0.00 O ATOM 744 OE2 GLU B 170 4.179 32.235 -5.771 1.00 0.00 O ATOM 0 H GLU B 170 -1.391 29.608 -4.302 1.00 0.00 H new ATOM 0 HA GLU B 170 0.923 28.580 -5.878 1.00 0.00 H new ATOM 0 HB2 GLU B 170 0.504 31.294 -5.817 1.00 0.00 H new ATOM 0 HB3 GLU B 170 1.263 31.106 -4.249 1.00 0.00 H new ATOM 0 HG2 GLU B 170 3.225 30.004 -5.268 1.00 0.00 H new ATOM 0 HG3 GLU B 170 2.449 29.988 -6.840 1.00 0.00 H new ATOM 751 N GLU B 171 0.372 29.156 -2.690 1.00 0.00 N ATOM 752 CA GLU B 171 0.673 28.582 -1.348 1.00 0.00 C ATOM 753 C GLU B 171 -0.096 27.273 -1.178 1.00 0.00 C ATOM 754 O GLU B 171 0.365 26.348 -0.536 1.00 0.00 O ATOM 755 CB GLU B 171 0.208 29.634 -0.332 1.00 0.00 C ATOM 756 CG GLU B 171 1.414 30.182 0.437 1.00 0.00 C ATOM 757 CD GLU B 171 0.928 30.982 1.647 1.00 0.00 C ATOM 758 OE1 GLU B 171 0.398 32.062 1.444 1.00 0.00 O ATOM 759 OE2 GLU B 171 1.096 30.501 2.755 1.00 0.00 O ATOM 0 H GLU B 171 -0.260 29.956 -2.689 1.00 0.00 H new ATOM 0 HA GLU B 171 1.731 28.358 -1.215 1.00 0.00 H new ATOM 0 HB2 GLU B 171 -0.307 30.446 -0.845 1.00 0.00 H new ATOM 0 HB3 GLU B 171 -0.507 29.192 0.362 1.00 0.00 H new ATOM 0 HG2 GLU B 171 2.054 29.362 0.763 1.00 0.00 H new ATOM 0 HG3 GLU B 171 2.016 30.816 -0.214 1.00 0.00 H new ATOM 766 N LEU B 172 -1.258 27.186 -1.773 1.00 0.00 N ATOM 767 CA LEU B 172 -2.062 25.933 -1.678 1.00 0.00 C ATOM 768 C LEU B 172 -1.495 24.894 -2.647 1.00 0.00 C ATOM 769 O LEU B 172 -1.596 23.702 -2.422 1.00 0.00 O ATOM 770 CB LEU B 172 -3.481 26.331 -2.087 1.00 0.00 C ATOM 771 CG LEU B 172 -4.491 25.501 -1.293 1.00 0.00 C ATOM 772 CD1 LEU B 172 -5.906 26.007 -1.581 1.00 0.00 C ATOM 773 CD2 LEU B 172 -4.383 24.032 -1.711 1.00 0.00 C ATOM 0 H LEU B 172 -1.685 27.932 -2.322 1.00 0.00 H new ATOM 0 HA LEU B 172 -2.043 25.497 -0.679 1.00 0.00 H new ATOM 0 HB2 LEU B 172 -3.640 27.393 -1.901 1.00 0.00 H new ATOM 0 HB3 LEU B 172 -3.622 26.170 -3.156 1.00 0.00 H new ATOM 0 HG LEU B 172 -4.280 25.595 -0.228 1.00 0.00 H new ATOM 0 HD11 LEU B 172 -6.626 25.416 -1.015 1.00 0.00 H new ATOM 0 HD12 LEU B 172 -5.985 27.054 -1.287 1.00 0.00 H new ATOM 0 HD13 LEU B 172 -6.116 25.913 -2.646 1.00 0.00 H new ATOM 0 HD21 LEU B 172 -5.102 23.439 -1.146 1.00 0.00 H new ATOM 0 HD22 LEU B 172 -4.594 23.940 -2.776 1.00 0.00 H new ATOM 0 HD23 LEU B 172 -3.375 23.669 -1.509 1.00 0.00 H new ATOM 785 N ILE B 173 -0.889 25.343 -3.720 1.00 0.00 N ATOM 786 CA ILE B 173 -0.301 24.388 -4.706 1.00 0.00 C ATOM 787 C ILE B 173 0.947 23.742 -4.106 1.00 0.00 C ATOM 788 O ILE B 173 1.259 22.599 -4.380 1.00 0.00 O ATOM 789 CB ILE B 173 0.072 25.233 -5.933 1.00 0.00 C ATOM 790 CG1 ILE B 173 -1.163 25.986 -6.461 1.00 0.00 C ATOM 791 CG2 ILE B 173 0.626 24.320 -7.031 1.00 0.00 C ATOM 792 CD1 ILE B 173 -2.262 24.996 -6.862 1.00 0.00 C ATOM 0 H ILE B 173 -0.777 26.330 -3.954 1.00 0.00 H new ATOM 0 HA ILE B 173 -0.994 23.590 -4.970 1.00 0.00 H new ATOM 0 HB ILE B 173 0.829 25.962 -5.644 1.00 0.00 H new ATOM 0 HG12 ILE B 173 -1.538 26.665 -5.695 1.00 0.00 H new ATOM 0 HG13 ILE B 173 -0.885 26.597 -7.319 1.00 0.00 H new ATOM 0 HG21 ILE B 173 0.891 24.919 -7.903 1.00 0.00 H new ATOM 0 HG22 ILE B 173 1.512 23.804 -6.662 1.00 0.00 H new ATOM 0 HG23 ILE B 173 -0.131 23.587 -7.311 1.00 0.00 H new ATOM 0 HD11 ILE B 173 -3.128 25.544 -7.233 1.00 0.00 H new ATOM 0 HD12 ILE B 173 -1.889 24.335 -7.644 1.00 0.00 H new ATOM 0 HD13 ILE B 173 -2.552 24.404 -5.994 1.00 0.00 H new ATOM 804 N GLN B 174 1.657 24.469 -3.280 1.00 0.00 N ATOM 805 CA GLN B 174 2.884 23.903 -2.646 1.00 0.00 C ATOM 806 C GLN B 174 2.493 22.801 -1.662 1.00 0.00 C ATOM 807 O GLN B 174 3.208 21.833 -1.484 1.00 0.00 O ATOM 808 CB GLN B 174 3.542 25.073 -1.911 1.00 0.00 C ATOM 809 CG GLN B 174 4.249 25.977 -2.922 1.00 0.00 C ATOM 810 CD GLN B 174 5.578 25.342 -3.334 1.00 0.00 C ATOM 811 OE1 GLN B 174 6.371 24.964 -2.495 1.00 0.00 O ATOM 812 NE2 GLN B 174 5.857 25.206 -4.602 1.00 0.00 N ATOM 0 H GLN B 174 1.439 25.430 -3.018 1.00 0.00 H new ATOM 0 HA GLN B 174 3.561 23.461 -3.377 1.00 0.00 H new ATOM 0 HB2 GLN B 174 2.790 25.641 -1.363 1.00 0.00 H new ATOM 0 HB3 GLN B 174 4.257 24.700 -1.178 1.00 0.00 H new ATOM 0 HG2 GLN B 174 3.617 26.124 -3.798 1.00 0.00 H new ATOM 0 HG3 GLN B 174 4.424 26.961 -2.486 1.00 0.00 H new ATOM 0 HE21 GLN B 174 5.192 25.523 -5.307 1.00 0.00 H new ATOM 0 HE22 GLN B 174 6.740 24.783 -4.887 1.00 0.00 H new ATOM 821 N ASN B 175 1.355 22.941 -1.033 1.00 0.00 N ATOM 822 CA ASN B 175 0.899 21.898 -0.066 1.00 0.00 C ATOM 823 C ASN B 175 0.672 20.582 -0.806 1.00 0.00 C ATOM 824 O ASN B 175 1.101 19.531 -0.371 1.00 0.00 O ATOM 825 CB ASN B 175 -0.416 22.425 0.514 1.00 0.00 C ATOM 826 CG ASN B 175 -0.119 23.355 1.693 1.00 0.00 C ATOM 827 OD1 ASN B 175 0.698 23.043 2.536 1.00 0.00 O ATOM 828 ND2 ASN B 175 -0.753 24.491 1.788 1.00 0.00 N ATOM 0 H ASN B 175 0.722 23.732 -1.147 1.00 0.00 H new ATOM 0 HA ASN B 175 1.631 21.710 0.719 1.00 0.00 H new ATOM 0 HB2 ASN B 175 -0.975 22.961 -0.253 1.00 0.00 H new ATOM 0 HB3 ASN B 175 -1.040 21.594 0.841 1.00 0.00 H new ATOM 0 HD21 ASN B 175 -0.563 25.117 2.570 1.00 0.00 H new ATOM 0 HD22 ASN B 175 -1.439 24.753 1.080 1.00 0.00 H new ATOM 835 N MET B 176 0.005 20.639 -1.931 1.00 0.00 N ATOM 836 CA MET B 176 -0.260 19.396 -2.727 1.00 0.00 C ATOM 837 C MET B 176 1.044 18.634 -2.994 1.00 0.00 C ATOM 838 O MET B 176 1.056 17.420 -3.076 1.00 0.00 O ATOM 839 CB MET B 176 -0.862 19.887 -4.044 1.00 0.00 C ATOM 840 CG MET B 176 -2.369 20.085 -3.876 1.00 0.00 C ATOM 841 SD MET B 176 -3.196 19.799 -5.459 1.00 0.00 S ATOM 842 CE MET B 176 -4.869 20.191 -4.904 1.00 0.00 C ATOM 0 H MET B 176 -0.370 21.496 -2.337 1.00 0.00 H new ATOM 0 HA MET B 176 -0.923 18.712 -2.198 1.00 0.00 H new ATOM 0 HB2 MET B 176 -0.393 20.824 -4.343 1.00 0.00 H new ATOM 0 HB3 MET B 176 -0.666 19.165 -4.837 1.00 0.00 H new ATOM 0 HG2 MET B 176 -2.755 19.398 -3.123 1.00 0.00 H new ATOM 0 HG3 MET B 176 -2.577 21.095 -3.523 1.00 0.00 H new ATOM 0 HE1 MET B 176 -5.522 20.306 -5.769 1.00 0.00 H new ATOM 0 HE2 MET B 176 -5.241 19.384 -4.273 1.00 0.00 H new ATOM 0 HE3 MET B 176 -4.855 21.120 -4.334 1.00 0.00 H new ATOM 852 N ASP B 177 2.136 19.342 -3.123 1.00 0.00 N ATOM 853 CA ASP B 177 3.444 18.665 -3.381 1.00 0.00 C ATOM 854 C ASP B 177 3.872 17.879 -2.142 1.00 0.00 C ATOM 855 O ASP B 177 4.158 16.698 -2.212 1.00 0.00 O ATOM 856 CB ASP B 177 4.436 19.792 -3.675 1.00 0.00 C ATOM 857 CG ASP B 177 5.622 19.236 -4.463 1.00 0.00 C ATOM 858 OD1 ASP B 177 6.173 18.234 -4.037 1.00 0.00 O ATOM 859 OD2 ASP B 177 5.960 19.820 -5.479 1.00 0.00 O ATOM 0 H ASP B 177 2.180 20.359 -3.061 1.00 0.00 H new ATOM 0 HA ASP B 177 3.388 17.958 -4.209 1.00 0.00 H new ATOM 0 HB2 ASP B 177 3.946 20.582 -4.244 1.00 0.00 H new ATOM 0 HB3 ASP B 177 4.782 20.238 -2.743 1.00 0.00 H new ATOM 864 N ARG B 178 3.907 18.528 -1.010 1.00 0.00 N ATOM 865 CA ARG B 178 4.304 17.827 0.248 1.00 0.00 C ATOM 866 C ARG B 178 3.233 16.802 0.630 1.00 0.00 C ATOM 867 O ARG B 178 3.517 15.799 1.257 1.00 0.00 O ATOM 868 CB ARG B 178 4.404 18.923 1.310 1.00 0.00 C ATOM 869 CG ARG B 178 5.861 19.370 1.451 1.00 0.00 C ATOM 870 CD ARG B 178 6.182 20.414 0.378 1.00 0.00 C ATOM 871 NE ARG B 178 5.600 21.684 0.893 1.00 0.00 N ATOM 872 CZ ARG B 178 6.384 22.626 1.344 1.00 0.00 C ATOM 873 NH1 ARG B 178 7.255 22.358 2.277 1.00 0.00 N ATOM 874 NH2 ARG B 178 6.295 23.835 0.859 1.00 0.00 N ATOM 0 H ARG B 178 3.678 19.516 -0.900 1.00 0.00 H new ATOM 0 HA ARG B 178 5.245 17.287 0.142 1.00 0.00 H new ATOM 0 HB2 ARG B 178 3.778 19.771 1.032 1.00 0.00 H new ATOM 0 HB3 ARG B 178 4.033 18.553 2.265 1.00 0.00 H new ATOM 0 HG2 ARG B 178 6.029 19.789 2.443 1.00 0.00 H new ATOM 0 HG3 ARG B 178 6.527 18.513 1.350 1.00 0.00 H new ATOM 0 HD2 ARG B 178 7.257 20.506 0.225 1.00 0.00 H new ATOM 0 HD3 ARG B 178 5.746 20.140 -0.583 1.00 0.00 H new ATOM 0 HE ARG B 178 4.589 21.818 0.894 1.00 0.00 H new ATOM 0 HH11 ARG B 178 7.324 21.413 2.654 1.00 0.00 H new ATOM 0 HH12 ARG B 178 7.867 23.094 2.629 1.00 0.00 H new ATOM 0 HH21 ARG B 178 5.614 24.043 0.129 1.00 0.00 H new ATOM 0 HH22 ARG B 178 6.907 24.572 1.210 1.00 0.00 H new ATOM 888 N VAL B 179 2.005 17.049 0.249 1.00 0.00 N ATOM 889 CA VAL B 179 0.906 16.093 0.578 1.00 0.00 C ATOM 890 C VAL B 179 0.960 14.895 -0.374 1.00 0.00 C ATOM 891 O VAL B 179 0.623 13.785 -0.005 1.00 0.00 O ATOM 892 CB VAL B 179 -0.389 16.892 0.386 1.00 0.00 C ATOM 893 CG1 VAL B 179 -1.600 15.998 0.652 1.00 0.00 C ATOM 894 CG2 VAL B 179 -0.410 18.065 1.370 1.00 0.00 C ATOM 0 H VAL B 179 1.716 17.874 -0.277 1.00 0.00 H new ATOM 0 HA VAL B 179 0.983 15.697 1.590 1.00 0.00 H new ATOM 0 HB VAL B 179 -0.431 17.262 -0.639 1.00 0.00 H new ATOM 0 HG11 VAL B 179 -2.515 16.574 0.513 1.00 0.00 H new ATOM 0 HG12 VAL B 179 -1.591 15.158 -0.042 1.00 0.00 H new ATOM 0 HG13 VAL B 179 -1.558 15.624 1.675 1.00 0.00 H new ATOM 0 HG21 VAL B 179 -1.329 18.635 1.237 1.00 0.00 H new ATOM 0 HG22 VAL B 179 -0.364 17.685 2.390 1.00 0.00 H new ATOM 0 HG23 VAL B 179 0.448 18.711 1.184 1.00 0.00 H new ATOM 904 N ASP B 180 1.389 15.111 -1.590 1.00 0.00 N ATOM 905 CA ASP B 180 1.476 13.984 -2.566 1.00 0.00 C ATOM 906 C ASP B 180 2.677 13.104 -2.228 1.00 0.00 C ATOM 907 O ASP B 180 2.661 11.906 -2.444 1.00 0.00 O ATOM 908 CB ASP B 180 1.655 14.645 -3.935 1.00 0.00 C ATOM 909 CG ASP B 180 1.525 13.589 -5.033 1.00 0.00 C ATOM 910 OD1 ASP B 180 0.460 13.006 -5.144 1.00 0.00 O ATOM 911 OD2 ASP B 180 2.493 13.382 -5.747 1.00 0.00 O ATOM 0 H ASP B 180 1.683 16.019 -1.950 1.00 0.00 H new ATOM 0 HA ASP B 180 0.592 13.346 -2.546 1.00 0.00 H new ATOM 0 HB2 ASP B 180 0.906 15.424 -4.075 1.00 0.00 H new ATOM 0 HB3 ASP B 180 2.631 15.127 -3.993 1.00 0.00 H new ATOM 916 N ARG B 181 3.712 13.691 -1.689 1.00 0.00 N ATOM 917 CA ARG B 181 4.919 12.894 -1.317 1.00 0.00 C ATOM 918 C ARG B 181 4.594 11.980 -0.131 1.00 0.00 C ATOM 919 O ARG B 181 5.218 10.954 0.059 1.00 0.00 O ATOM 920 CB ARG B 181 5.981 13.927 -0.927 1.00 0.00 C ATOM 921 CG ARG B 181 7.342 13.501 -1.486 1.00 0.00 C ATOM 922 CD ARG B 181 7.568 14.168 -2.844 1.00 0.00 C ATOM 923 NE ARG B 181 7.199 13.131 -3.848 1.00 0.00 N ATOM 924 CZ ARG B 181 8.050 12.791 -4.778 1.00 0.00 C ATOM 925 NH1 ARG B 181 9.196 12.260 -4.452 1.00 0.00 N ATOM 926 NH2 ARG B 181 7.753 12.984 -6.035 1.00 0.00 N ATOM 0 H ARG B 181 3.775 14.689 -1.490 1.00 0.00 H new ATOM 0 HA ARG B 181 5.261 12.255 -2.131 1.00 0.00 H new ATOM 0 HB2 ARG B 181 5.708 14.908 -1.315 1.00 0.00 H new ATOM 0 HB3 ARG B 181 6.034 14.017 0.158 1.00 0.00 H new ATOM 0 HG2 ARG B 181 8.136 13.783 -0.794 1.00 0.00 H new ATOM 0 HG3 ARG B 181 7.381 12.417 -1.591 1.00 0.00 H new ATOM 0 HD2 ARG B 181 6.952 15.060 -2.953 1.00 0.00 H new ATOM 0 HD3 ARG B 181 8.605 14.481 -2.962 1.00 0.00 H new ATOM 0 HE ARG B 181 6.282 12.687 -3.809 1.00 0.00 H new ATOM 0 HH11 ARG B 181 9.428 12.110 -3.470 1.00 0.00 H new ATOM 0 HH12 ARG B 181 9.860 11.995 -5.179 1.00 0.00 H new ATOM 0 HH21 ARG B 181 6.857 13.400 -6.289 1.00 0.00 H new ATOM 0 HH22 ARG B 181 8.417 12.719 -6.762 1.00 0.00 H new ATOM 940 N GLU B 182 3.619 12.349 0.668 1.00 0.00 N ATOM 941 CA GLU B 182 3.251 11.502 1.844 1.00 0.00 C ATOM 942 C GLU B 182 2.622 10.191 1.380 1.00 0.00 C ATOM 943 O GLU B 182 2.919 9.134 1.907 1.00 0.00 O ATOM 944 CB GLU B 182 2.242 12.331 2.641 1.00 0.00 C ATOM 945 CG GLU B 182 1.980 11.658 3.990 1.00 0.00 C ATOM 946 CD GLU B 182 1.707 12.727 5.049 1.00 0.00 C ATOM 947 OE1 GLU B 182 1.077 13.717 4.715 1.00 0.00 O ATOM 948 OE2 GLU B 182 2.132 12.536 6.177 1.00 0.00 O ATOM 0 H GLU B 182 3.065 13.198 0.555 1.00 0.00 H new ATOM 0 HA GLU B 182 4.122 11.239 2.445 1.00 0.00 H new ATOM 0 HB2 GLU B 182 2.625 13.340 2.794 1.00 0.00 H new ATOM 0 HB3 GLU B 182 1.311 12.425 2.083 1.00 0.00 H new ATOM 0 HG2 GLU B 182 1.128 10.982 3.912 1.00 0.00 H new ATOM 0 HG3 GLU B 182 2.840 11.054 4.280 1.00 0.00 H new ATOM 955 N ILE B 183 1.760 10.246 0.396 1.00 0.00 N ATOM 956 CA ILE B 183 1.120 8.989 -0.101 1.00 0.00 C ATOM 957 C ILE B 183 2.180 8.105 -0.762 1.00 0.00 C ATOM 958 O ILE B 183 2.075 6.893 -0.763 1.00 0.00 O ATOM 959 CB ILE B 183 0.060 9.427 -1.117 1.00 0.00 C ATOM 960 CG1 ILE B 183 -0.957 10.352 -0.432 1.00 0.00 C ATOM 961 CG2 ILE B 183 -0.668 8.189 -1.655 1.00 0.00 C ATOM 962 CD1 ILE B 183 -1.989 10.844 -1.452 1.00 0.00 C ATOM 0 H ILE B 183 1.473 11.100 -0.082 1.00 0.00 H new ATOM 0 HA ILE B 183 0.667 8.410 0.704 1.00 0.00 H new ATOM 0 HB ILE B 183 0.542 9.958 -1.938 1.00 0.00 H new ATOM 0 HG12 ILE B 183 -1.458 9.820 0.377 1.00 0.00 H new ATOM 0 HG13 ILE B 183 -0.443 11.202 0.017 1.00 0.00 H new ATOM 0 HG21 ILE B 183 -1.423 8.497 -2.378 1.00 0.00 H new ATOM 0 HG22 ILE B 183 0.050 7.527 -2.139 1.00 0.00 H new ATOM 0 HG23 ILE B 183 -1.149 7.663 -0.830 1.00 0.00 H new ATOM 0 HD11 ILE B 183 -2.706 11.499 -0.957 1.00 0.00 H new ATOM 0 HD12 ILE B 183 -1.483 11.394 -2.246 1.00 0.00 H new ATOM 0 HD13 ILE B 183 -2.514 9.990 -1.880 1.00 0.00 H new ATOM 974 N THR B 184 3.206 8.706 -1.313 1.00 0.00 N ATOM 975 CA THR B 184 4.285 7.905 -1.965 1.00 0.00 C ATOM 976 C THR B 184 4.980 7.032 -0.919 1.00 0.00 C ATOM 977 O THR B 184 5.433 5.941 -1.213 1.00 0.00 O ATOM 978 CB THR B 184 5.262 8.933 -2.542 1.00 0.00 C ATOM 979 OG1 THR B 184 4.544 9.882 -3.318 1.00 0.00 O ATOM 980 CG2 THR B 184 6.289 8.222 -3.425 1.00 0.00 C ATOM 0 H THR B 184 3.342 9.717 -1.339 1.00 0.00 H new ATOM 0 HA THR B 184 3.900 7.242 -2.739 1.00 0.00 H new ATOM 0 HB THR B 184 5.777 9.443 -1.728 1.00 0.00 H new ATOM 0 HG1 THR B 184 5.168 10.542 -3.687 1.00 0.00 H new ATOM 0 HG21 THR B 184 6.984 8.954 -3.836 1.00 0.00 H new ATOM 0 HG22 THR B 184 6.839 7.493 -2.829 1.00 0.00 H new ATOM 0 HG23 THR B 184 5.776 7.711 -4.240 1.00 0.00 H new ATOM 988 N MET B 185 5.061 7.503 0.302 1.00 0.00 N ATOM 989 CA MET B 185 5.720 6.697 1.374 1.00 0.00 C ATOM 990 C MET B 185 4.869 5.467 1.694 1.00 0.00 C ATOM 991 O MET B 185 5.354 4.351 1.706 1.00 0.00 O ATOM 992 CB MET B 185 5.806 7.625 2.588 1.00 0.00 C ATOM 993 CG MET B 185 7.139 7.409 3.305 1.00 0.00 C ATOM 994 SD MET B 185 7.144 8.332 4.862 1.00 0.00 S ATOM 995 CE MET B 185 8.870 8.872 4.800 1.00 0.00 C ATOM 0 H MET B 185 4.700 8.409 0.601 1.00 0.00 H new ATOM 0 HA MET B 185 6.705 6.339 1.076 1.00 0.00 H new ATOM 0 HB2 MET B 185 5.716 8.664 2.271 1.00 0.00 H new ATOM 0 HB3 MET B 185 4.979 7.427 3.269 1.00 0.00 H new ATOM 0 HG2 MET B 185 7.292 6.347 3.499 1.00 0.00 H new ATOM 0 HG3 MET B 185 7.962 7.739 2.672 1.00 0.00 H new ATOM 0 HE1 MET B 185 9.096 9.470 5.683 1.00 0.00 H new ATOM 0 HE2 MET B 185 9.523 8.000 4.775 1.00 0.00 H new ATOM 0 HE3 MET B 185 9.032 9.472 3.904 1.00 0.00 H new ATOM 1005 N VAL B 186 3.599 5.665 1.946 1.00 0.00 N ATOM 1006 CA VAL B 186 2.705 4.508 2.258 1.00 0.00 C ATOM 1007 C VAL B 186 2.525 3.651 1.003 1.00 0.00 C ATOM 1008 O VAL B 186 2.366 2.447 1.081 1.00 0.00 O ATOM 1009 CB VAL B 186 1.369 5.127 2.689 1.00 0.00 C ATOM 1010 CG1 VAL B 186 0.378 4.017 3.044 1.00 0.00 C ATOM 1011 CG2 VAL B 186 1.590 6.016 3.916 1.00 0.00 C ATOM 0 H VAL B 186 3.143 6.577 1.949 1.00 0.00 H new ATOM 0 HA VAL B 186 3.112 3.864 3.038 1.00 0.00 H new ATOM 0 HB VAL B 186 0.969 5.724 1.870 1.00 0.00 H new ATOM 0 HG11 VAL B 186 -0.570 4.460 3.350 1.00 0.00 H new ATOM 0 HG12 VAL B 186 0.217 3.381 2.174 1.00 0.00 H new ATOM 0 HG13 VAL B 186 0.780 3.419 3.862 1.00 0.00 H new ATOM 0 HG21 VAL B 186 0.641 6.456 4.222 1.00 0.00 H new ATOM 0 HG22 VAL B 186 1.992 5.416 4.732 1.00 0.00 H new ATOM 0 HG23 VAL B 186 2.295 6.810 3.668 1.00 0.00 H new ATOM 1021 N GLU B 187 2.556 4.267 -0.149 1.00 0.00 N ATOM 1022 CA GLU B 187 2.397 3.498 -1.420 1.00 0.00 C ATOM 1023 C GLU B 187 3.687 2.737 -1.733 1.00 0.00 C ATOM 1024 O GLU B 187 3.666 1.696 -2.363 1.00 0.00 O ATOM 1025 CB GLU B 187 2.119 4.550 -2.496 1.00 0.00 C ATOM 1026 CG GLU B 187 1.656 3.858 -3.779 1.00 0.00 C ATOM 1027 CD GLU B 187 1.932 4.767 -4.978 1.00 0.00 C ATOM 1028 OE1 GLU B 187 1.305 5.810 -5.063 1.00 0.00 O ATOM 1029 OE2 GLU B 187 2.766 4.405 -5.791 1.00 0.00 O ATOM 0 H GLU B 187 2.685 5.272 -0.266 1.00 0.00 H new ATOM 0 HA GLU B 187 1.595 2.762 -1.361 1.00 0.00 H new ATOM 0 HB2 GLU B 187 1.355 5.246 -2.150 1.00 0.00 H new ATOM 0 HB3 GLU B 187 3.019 5.134 -2.690 1.00 0.00 H new ATOM 0 HG2 GLU B 187 2.178 2.909 -3.901 1.00 0.00 H new ATOM 0 HG3 GLU B 187 0.592 3.631 -3.719 1.00 0.00 H new ATOM 1036 N GLN B 188 4.808 3.249 -1.291 1.00 0.00 N ATOM 1037 CA GLN B 188 6.107 2.558 -1.554 1.00 0.00 C ATOM 1038 C GLN B 188 6.239 1.326 -0.654 1.00 0.00 C ATOM 1039 O GLN B 188 6.899 0.364 -1.001 1.00 0.00 O ATOM 1040 CB GLN B 188 7.187 3.589 -1.215 1.00 0.00 C ATOM 1041 CG GLN B 188 8.570 3.007 -1.521 1.00 0.00 C ATOM 1042 CD GLN B 188 8.700 2.741 -3.024 1.00 0.00 C ATOM 1043 OE1 GLN B 188 9.143 1.684 -3.428 1.00 0.00 O ATOM 1044 NE2 GLN B 188 8.330 3.660 -3.873 1.00 0.00 N ATOM 0 H GLN B 188 4.880 4.116 -0.759 1.00 0.00 H new ATOM 0 HA GLN B 188 6.188 2.212 -2.584 1.00 0.00 H new ATOM 0 HB2 GLN B 188 7.029 4.499 -1.793 1.00 0.00 H new ATOM 0 HB3 GLN B 188 7.123 3.865 -0.162 1.00 0.00 H new ATOM 0 HG2 GLN B 188 9.346 3.700 -1.197 1.00 0.00 H new ATOM 0 HG3 GLN B 188 8.716 2.081 -0.965 1.00 0.00 H new ATOM 0 HE21 GLN B 188 7.958 4.547 -3.534 1.00 0.00 H new ATOM 0 HE22 GLN B 188 8.413 3.491 -4.876 1.00 0.00 H new ATOM 1053 N GLN B 189 5.612 1.349 0.494 1.00 0.00 N ATOM 1054 CA GLN B 189 5.695 0.179 1.420 1.00 0.00 C ATOM 1055 C GLN B 189 4.835 -0.971 0.888 1.00 0.00 C ATOM 1056 O GLN B 189 5.164 -2.130 1.057 1.00 0.00 O ATOM 1057 CB GLN B 189 5.152 0.683 2.758 1.00 0.00 C ATOM 1058 CG GLN B 189 5.864 -0.038 3.905 1.00 0.00 C ATOM 1059 CD GLN B 189 7.347 0.341 3.910 1.00 0.00 C ATOM 1060 OE1 GLN B 189 8.205 -0.516 3.979 1.00 0.00 O ATOM 1061 NE2 GLN B 189 7.687 1.600 3.839 1.00 0.00 N ATOM 0 H GLN B 189 5.046 2.128 0.831 1.00 0.00 H new ATOM 0 HA GLN B 189 6.713 -0.199 1.517 1.00 0.00 H new ATOM 0 HB2 GLN B 189 5.304 1.759 2.841 1.00 0.00 H new ATOM 0 HB3 GLN B 189 4.078 0.507 2.816 1.00 0.00 H new ATOM 0 HG2 GLN B 189 5.406 0.232 4.857 1.00 0.00 H new ATOM 0 HG3 GLN B 189 5.755 -1.117 3.793 1.00 0.00 H new ATOM 0 HE21 GLN B 189 6.967 2.320 3.781 1.00 0.00 H new ATOM 0 HE22 GLN B 189 8.672 1.863 3.841 1.00 0.00 H new ATOM 1070 N ILE B 190 3.742 -0.655 0.243 1.00 0.00 N ATOM 1071 CA ILE B 190 2.858 -1.728 -0.308 1.00 0.00 C ATOM 1072 C ILE B 190 3.523 -2.358 -1.535 1.00 0.00 C ATOM 1073 O ILE B 190 3.348 -3.530 -1.812 1.00 0.00 O ATOM 1074 CB ILE B 190 1.551 -1.026 -0.694 1.00 0.00 C ATOM 1075 CG1 ILE B 190 0.949 -0.357 0.550 1.00 0.00 C ATOM 1076 CG2 ILE B 190 0.559 -2.054 -1.251 1.00 0.00 C ATOM 1077 CD1 ILE B 190 -0.317 0.420 0.169 1.00 0.00 C ATOM 0 H ILE B 190 3.423 0.299 0.074 1.00 0.00 H new ATOM 0 HA ILE B 190 2.677 -2.528 0.409 1.00 0.00 H new ATOM 0 HB ILE B 190 1.754 -0.272 -1.455 1.00 0.00 H new ATOM 0 HG12 ILE B 190 0.710 -1.112 1.299 1.00 0.00 H new ATOM 0 HG13 ILE B 190 1.678 0.318 0.999 1.00 0.00 H new ATOM 0 HG21 ILE B 190 -0.369 -1.553 -1.525 1.00 0.00 H new ATOM 0 HG22 ILE B 190 0.987 -2.532 -2.132 1.00 0.00 H new ATOM 0 HG23 ILE B 190 0.353 -2.809 -0.492 1.00 0.00 H new ATOM 0 HD11 ILE B 190 -0.736 0.891 1.058 1.00 0.00 H new ATOM 0 HD12 ILE B 190 -0.066 1.187 -0.564 1.00 0.00 H new ATOM 0 HD13 ILE B 190 -1.049 -0.265 -0.259 1.00 0.00 H new ATOM 1089 N SER B 191 4.291 -1.587 -2.261 1.00 0.00 N ATOM 1090 CA SER B 191 4.984 -2.136 -3.465 1.00 0.00 C ATOM 1091 C SER B 191 6.053 -3.136 -3.026 1.00 0.00 C ATOM 1092 O SER B 191 6.335 -4.099 -3.714 1.00 0.00 O ATOM 1093 CB SER B 191 5.624 -0.929 -4.152 1.00 0.00 C ATOM 1094 OG SER B 191 5.954 0.048 -3.174 1.00 0.00 O ATOM 0 H SER B 191 4.468 -0.600 -2.072 1.00 0.00 H new ATOM 0 HA SER B 191 4.303 -2.659 -4.136 1.00 0.00 H new ATOM 0 HB2 SER B 191 6.519 -1.236 -4.692 1.00 0.00 H new ATOM 0 HB3 SER B 191 4.937 -0.508 -4.886 1.00 0.00 H new ATOM 0 HG SER B 191 6.340 -0.393 -2.388 1.00 0.00 H new ATOM 1100 N LYS B 192 6.641 -2.916 -1.877 1.00 0.00 N ATOM 1101 CA LYS B 192 7.685 -3.856 -1.375 1.00 0.00 C ATOM 1102 C LYS B 192 7.015 -5.110 -0.812 1.00 0.00 C ATOM 1103 O LYS B 192 7.535 -6.204 -0.924 1.00 0.00 O ATOM 1104 CB LYS B 192 8.419 -3.090 -0.272 1.00 0.00 C ATOM 1105 CG LYS B 192 9.109 -1.864 -0.874 1.00 0.00 C ATOM 1106 CD LYS B 192 10.550 -2.220 -1.244 1.00 0.00 C ATOM 1107 CE LYS B 192 11.126 -1.134 -2.157 1.00 0.00 C ATOM 1108 NZ LYS B 192 12.215 -1.809 -2.916 1.00 0.00 N ATOM 0 H LYS B 192 6.442 -2.124 -1.265 1.00 0.00 H new ATOM 0 HA LYS B 192 8.370 -4.179 -2.158 1.00 0.00 H new ATOM 0 HB2 LYS B 192 7.715 -2.781 0.501 1.00 0.00 H new ATOM 0 HB3 LYS B 192 9.155 -3.736 0.206 1.00 0.00 H new ATOM 0 HG2 LYS B 192 8.568 -1.527 -1.758 1.00 0.00 H new ATOM 0 HG3 LYS B 192 9.098 -1.040 -0.160 1.00 0.00 H new ATOM 0 HD2 LYS B 192 11.156 -2.311 -0.343 1.00 0.00 H new ATOM 0 HD3 LYS B 192 10.579 -3.186 -1.747 1.00 0.00 H new ATOM 0 HE2 LYS B 192 10.364 -0.737 -2.828 1.00 0.00 H new ATOM 0 HE3 LYS B 192 11.510 -0.294 -1.578 1.00 0.00 H new ATOM 0 HZ1 LYS B 192 12.659 -1.128 -3.565 1.00 0.00 H new ATOM 0 HZ2 LYS B 192 12.929 -2.171 -2.252 1.00 0.00 H new ATOM 0 HZ3 LYS B 192 11.818 -2.600 -3.463 1.00 0.00 H new ATOM 1122 N LEU B 193 5.856 -4.956 -0.221 1.00 0.00 N ATOM 1123 CA LEU B 193 5.137 -6.138 0.338 1.00 0.00 C ATOM 1124 C LEU B 193 4.572 -6.976 -0.811 1.00 0.00 C ATOM 1125 O LEU B 193 4.473 -8.185 -0.720 1.00 0.00 O ATOM 1126 CB LEU B 193 4.005 -5.560 1.200 1.00 0.00 C ATOM 1127 CG LEU B 193 3.981 -6.264 2.569 1.00 0.00 C ATOM 1128 CD1 LEU B 193 4.451 -5.295 3.658 1.00 0.00 C ATOM 1129 CD2 LEU B 193 2.555 -6.731 2.887 1.00 0.00 C ATOM 0 H LEU B 193 5.378 -4.063 -0.102 1.00 0.00 H new ATOM 0 HA LEU B 193 5.788 -6.785 0.926 1.00 0.00 H new ATOM 0 HB2 LEU B 193 4.149 -4.488 1.335 1.00 0.00 H new ATOM 0 HB3 LEU B 193 3.048 -5.692 0.696 1.00 0.00 H new ATOM 0 HG LEU B 193 4.647 -7.126 2.537 1.00 0.00 H new ATOM 0 HD11 LEU B 193 4.432 -5.798 4.625 1.00 0.00 H new ATOM 0 HD12 LEU B 193 5.467 -4.967 3.439 1.00 0.00 H new ATOM 0 HD13 LEU B 193 3.788 -4.430 3.686 1.00 0.00 H new ATOM 0 HD21 LEU B 193 2.543 -7.229 3.857 1.00 0.00 H new ATOM 0 HD22 LEU B 193 1.887 -5.870 2.913 1.00 0.00 H new ATOM 0 HD23 LEU B 193 2.220 -7.427 2.118 1.00 0.00 H new ATOM 1141 N LYS B 194 4.214 -6.337 -1.898 1.00 0.00 N ATOM 1142 CA LYS B 194 3.668 -7.090 -3.067 1.00 0.00 C ATOM 1143 C LYS B 194 4.765 -7.975 -3.657 1.00 0.00 C ATOM 1144 O LYS B 194 4.529 -9.112 -4.019 1.00 0.00 O ATOM 1145 CB LYS B 194 3.235 -6.023 -4.075 1.00 0.00 C ATOM 1146 CG LYS B 194 2.063 -6.551 -4.905 1.00 0.00 C ATOM 1147 CD LYS B 194 0.793 -6.554 -4.050 1.00 0.00 C ATOM 1148 CE LYS B 194 -0.193 -7.585 -4.604 1.00 0.00 C ATOM 1149 NZ LYS B 194 0.250 -8.887 -4.030 1.00 0.00 N ATOM 0 H LYS B 194 4.277 -5.327 -2.025 1.00 0.00 H new ATOM 0 HA LYS B 194 2.835 -7.738 -2.794 1.00 0.00 H new ATOM 0 HB2 LYS B 194 2.943 -5.112 -3.553 1.00 0.00 H new ATOM 0 HB3 LYS B 194 4.069 -5.764 -4.727 1.00 0.00 H new ATOM 0 HG2 LYS B 194 1.919 -5.928 -5.788 1.00 0.00 H new ATOM 0 HG3 LYS B 194 2.279 -7.559 -5.258 1.00 0.00 H new ATOM 0 HD2 LYS B 194 1.039 -6.790 -3.015 1.00 0.00 H new ATOM 0 HD3 LYS B 194 0.339 -5.563 -4.051 1.00 0.00 H new ATOM 0 HE2 LYS B 194 -1.216 -7.351 -4.309 1.00 0.00 H new ATOM 0 HE3 LYS B 194 -0.172 -7.606 -5.694 1.00 0.00 H new ATOM 0 HZ1 LYS B 194 0.043 -9.652 -4.703 1.00 0.00 H new ATOM 0 HZ2 LYS B 194 1.273 -8.855 -3.846 1.00 0.00 H new ATOM 0 HZ3 LYS B 194 -0.256 -9.064 -3.139 1.00 0.00 H new ATOM 1163 N LYS B 195 5.967 -7.461 -3.739 1.00 0.00 N ATOM 1164 CA LYS B 195 7.094 -8.273 -4.289 1.00 0.00 C ATOM 1165 C LYS B 195 7.396 -9.430 -3.333 1.00 0.00 C ATOM 1166 O LYS B 195 7.818 -10.494 -3.745 1.00 0.00 O ATOM 1167 CB LYS B 195 8.281 -7.314 -4.375 1.00 0.00 C ATOM 1168 CG LYS B 195 9.224 -7.766 -5.492 1.00 0.00 C ATOM 1169 CD LYS B 195 8.586 -7.470 -6.850 1.00 0.00 C ATOM 1170 CE LYS B 195 9.004 -8.545 -7.856 1.00 0.00 C ATOM 1171 NZ LYS B 195 10.166 -7.959 -8.581 1.00 0.00 N ATOM 0 H LYS B 195 6.216 -6.515 -3.449 1.00 0.00 H new ATOM 0 HA LYS B 195 6.866 -8.705 -5.263 1.00 0.00 H new ATOM 0 HB2 LYS B 195 7.930 -6.301 -4.569 1.00 0.00 H new ATOM 0 HB3 LYS B 195 8.812 -7.290 -3.424 1.00 0.00 H new ATOM 0 HG2 LYS B 195 10.180 -7.249 -5.407 1.00 0.00 H new ATOM 0 HG3 LYS B 195 9.429 -8.832 -5.400 1.00 0.00 H new ATOM 0 HD2 LYS B 195 7.500 -7.447 -6.756 1.00 0.00 H new ATOM 0 HD3 LYS B 195 8.896 -6.486 -7.203 1.00 0.00 H new ATOM 0 HE2 LYS B 195 9.279 -9.472 -7.353 1.00 0.00 H new ATOM 0 HE3 LYS B 195 8.190 -8.783 -8.541 1.00 0.00 H new ATOM 0 HZ1 LYS B 195 10.511 -8.637 -9.290 1.00 0.00 H new ATOM 0 HZ2 LYS B 195 9.872 -7.081 -9.056 1.00 0.00 H new ATOM 0 HZ3 LYS B 195 10.927 -7.749 -7.904 1.00 0.00 H new ATOM 1185 N LYS B 196 7.165 -9.226 -2.059 1.00 0.00 N ATOM 1186 CA LYS B 196 7.420 -10.312 -1.064 1.00 0.00 C ATOM 1187 C LYS B 196 6.494 -11.494 -1.355 1.00 0.00 C ATOM 1188 O LYS B 196 6.874 -12.642 -1.222 1.00 0.00 O ATOM 1189 CB LYS B 196 7.098 -9.691 0.300 1.00 0.00 C ATOM 1190 CG LYS B 196 7.321 -10.723 1.409 1.00 0.00 C ATOM 1191 CD LYS B 196 6.563 -10.290 2.667 1.00 0.00 C ATOM 1192 CE LYS B 196 5.055 -10.323 2.395 1.00 0.00 C ATOM 1193 NZ LYS B 196 4.426 -10.429 3.741 1.00 0.00 N ATOM 0 H LYS B 196 6.811 -8.354 -1.666 1.00 0.00 H new ATOM 0 HA LYS B 196 8.444 -10.685 -1.099 1.00 0.00 H new ATOM 0 HB2 LYS B 196 7.730 -8.819 0.470 1.00 0.00 H new ATOM 0 HB3 LYS B 196 6.065 -9.344 0.317 1.00 0.00 H new ATOM 0 HG2 LYS B 196 6.976 -11.704 1.083 1.00 0.00 H new ATOM 0 HG3 LYS B 196 8.385 -10.816 1.626 1.00 0.00 H new ATOM 0 HD2 LYS B 196 6.808 -10.952 3.497 1.00 0.00 H new ATOM 0 HD3 LYS B 196 6.868 -9.285 2.960 1.00 0.00 H new ATOM 0 HE2 LYS B 196 4.727 -9.423 1.875 1.00 0.00 H new ATOM 0 HE3 LYS B 196 4.785 -11.171 1.765 1.00 0.00 H new ATOM 0 HZ1 LYS B 196 3.429 -10.138 3.682 1.00 0.00 H new ATOM 0 HZ2 LYS B 196 4.481 -11.413 4.073 1.00 0.00 H new ATOM 0 HZ3 LYS B 196 4.928 -9.810 4.409 1.00 0.00 H new ATOM 1207 N GLN B 197 5.284 -11.214 -1.763 1.00 0.00 N ATOM 1208 CA GLN B 197 4.322 -12.313 -2.080 1.00 0.00 C ATOM 1209 C GLN B 197 4.855 -13.136 -3.255 1.00 0.00 C ATOM 1210 O GLN B 197 4.611 -14.323 -3.355 1.00 0.00 O ATOM 1211 CB GLN B 197 3.015 -11.614 -2.461 1.00 0.00 C ATOM 1212 CG GLN B 197 1.884 -12.642 -2.514 1.00 0.00 C ATOM 1213 CD GLN B 197 1.603 -13.166 -1.105 1.00 0.00 C ATOM 1214 OE1 GLN B 197 2.245 -14.091 -0.649 1.00 0.00 O ATOM 1215 NE2 GLN B 197 0.662 -12.610 -0.390 1.00 0.00 N ATOM 0 H GLN B 197 4.919 -10.270 -1.891 1.00 0.00 H new ATOM 0 HA GLN B 197 4.178 -12.995 -1.242 1.00 0.00 H new ATOM 0 HB2 GLN B 197 2.780 -10.837 -1.734 1.00 0.00 H new ATOM 0 HB3 GLN B 197 3.121 -11.124 -3.429 1.00 0.00 H new ATOM 0 HG2 GLN B 197 0.985 -12.188 -2.930 1.00 0.00 H new ATOM 0 HG3 GLN B 197 2.159 -13.467 -3.172 1.00 0.00 H new ATOM 0 HE21 GLN B 197 0.123 -11.833 -0.772 1.00 0.00 H new ATOM 0 HE22 GLN B 197 0.467 -12.952 0.551 1.00 0.00 H new ATOM 1224 N GLN B 198 5.587 -12.507 -4.139 1.00 0.00 N ATOM 1225 CA GLN B 198 6.152 -13.242 -5.314 1.00 0.00 C ATOM 1226 C GLN B 198 7.090 -14.349 -4.830 1.00 0.00 C ATOM 1227 O GLN B 198 7.123 -15.433 -5.382 1.00 0.00 O ATOM 1228 CB GLN B 198 6.928 -12.193 -6.112 1.00 0.00 C ATOM 1229 CG GLN B 198 7.249 -12.745 -7.502 1.00 0.00 C ATOM 1230 CD GLN B 198 6.127 -12.371 -8.471 1.00 0.00 C ATOM 1231 OE1 GLN B 198 5.597 -13.219 -9.161 1.00 0.00 O ATOM 1232 NE2 GLN B 198 5.739 -11.128 -8.552 1.00 0.00 N ATOM 0 H GLN B 198 5.819 -11.515 -4.099 1.00 0.00 H new ATOM 0 HA GLN B 198 5.377 -13.714 -5.918 1.00 0.00 H new ATOM 0 HB2 GLN B 198 6.341 -11.279 -6.199 1.00 0.00 H new ATOM 0 HB3 GLN B 198 7.849 -11.932 -5.591 1.00 0.00 H new ATOM 0 HG2 GLN B 198 8.198 -12.342 -7.855 1.00 0.00 H new ATOM 0 HG3 GLN B 198 7.360 -13.828 -7.458 1.00 0.00 H new ATOM 0 HE21 GLN B 198 6.184 -10.416 -7.973 1.00 0.00 H new ATOM 0 HE22 GLN B 198 4.991 -10.868 -9.195 1.00 0.00 H new ATOM 1241 N GLN B 199 7.848 -14.079 -3.800 1.00 0.00 N ATOM 1242 CA GLN B 199 8.789 -15.111 -3.263 1.00 0.00 C ATOM 1243 C GLN B 199 8.002 -16.328 -2.775 1.00 0.00 C ATOM 1244 O GLN B 199 8.403 -17.459 -2.975 1.00 0.00 O ATOM 1245 CB GLN B 199 9.507 -14.434 -2.093 1.00 0.00 C ATOM 1246 CG GLN B 199 10.971 -14.878 -2.066 1.00 0.00 C ATOM 1247 CD GLN B 199 11.784 -14.021 -3.039 1.00 0.00 C ATOM 1248 OE1 GLN B 199 12.487 -14.541 -3.882 1.00 0.00 O ATOM 1249 NE2 GLN B 199 11.716 -12.720 -2.957 1.00 0.00 N ATOM 0 H GLN B 199 7.857 -13.187 -3.305 1.00 0.00 H new ATOM 0 HA GLN B 199 9.492 -15.462 -4.019 1.00 0.00 H new ATOM 0 HB2 GLN B 199 9.447 -13.350 -2.193 1.00 0.00 H new ATOM 0 HB3 GLN B 199 9.020 -14.695 -1.154 1.00 0.00 H new ATOM 0 HG2 GLN B 199 11.373 -14.781 -1.057 1.00 0.00 H new ATOM 0 HG3 GLN B 199 11.048 -15.930 -2.340 1.00 0.00 H new ATOM 0 HE21 GLN B 199 11.125 -12.284 -2.249 1.00 0.00 H new ATOM 0 HE22 GLN B 199 12.253 -12.140 -3.601 1.00 0.00 H new ATOM 1258 N LEU B 200 6.878 -16.099 -2.144 1.00 0.00 N ATOM 1259 CA LEU B 200 6.049 -17.239 -1.645 1.00 0.00 C ATOM 1260 C LEU B 200 5.370 -17.941 -2.822 1.00 0.00 C ATOM 1261 O LEU B 200 5.132 -19.134 -2.793 1.00 0.00 O ATOM 1262 CB LEU B 200 5.007 -16.604 -0.719 1.00 0.00 C ATOM 1263 CG LEU B 200 4.816 -17.481 0.519 1.00 0.00 C ATOM 1264 CD1 LEU B 200 6.082 -17.439 1.378 1.00 0.00 C ATOM 1265 CD2 LEU B 200 3.630 -16.957 1.334 1.00 0.00 C ATOM 0 H LEU B 200 6.498 -15.172 -1.953 1.00 0.00 H new ATOM 0 HA LEU B 200 6.644 -17.989 -1.124 1.00 0.00 H new ATOM 0 HB2 LEU B 200 5.329 -15.606 -0.423 1.00 0.00 H new ATOM 0 HB3 LEU B 200 4.060 -16.490 -1.246 1.00 0.00 H new ATOM 0 HG LEU B 200 4.622 -18.508 0.210 1.00 0.00 H new ATOM 0 HD11 LEU B 200 5.944 -18.065 2.260 1.00 0.00 H new ATOM 0 HD12 LEU B 200 6.927 -17.810 0.798 1.00 0.00 H new ATOM 0 HD13 LEU B 200 6.277 -16.412 1.688 1.00 0.00 H new ATOM 0 HD21 LEU B 200 3.492 -17.581 2.217 1.00 0.00 H new ATOM 0 HD22 LEU B 200 3.826 -15.930 1.642 1.00 0.00 H new ATOM 0 HD23 LEU B 200 2.727 -16.987 0.724 1.00 0.00 H new ATOM 1277 N GLU B 201 5.067 -17.206 -3.862 1.00 0.00 N ATOM 1278 CA GLU B 201 4.409 -17.821 -5.055 1.00 0.00 C ATOM 1279 C GLU B 201 5.445 -18.588 -5.880 1.00 0.00 C ATOM 1280 O GLU B 201 5.133 -19.570 -6.527 1.00 0.00 O ATOM 1281 CB GLU B 201 3.850 -16.643 -5.858 1.00 0.00 C ATOM 1282 CG GLU B 201 2.347 -16.508 -5.597 1.00 0.00 C ATOM 1283 CD GLU B 201 1.573 -17.320 -6.637 1.00 0.00 C ATOM 1284 OE1 GLU B 201 2.004 -18.420 -6.941 1.00 0.00 O ATOM 1285 OE2 GLU B 201 0.562 -16.829 -7.111 1.00 0.00 O ATOM 0 H GLU B 201 5.247 -16.205 -3.937 1.00 0.00 H new ATOM 0 HA GLU B 201 3.627 -18.528 -4.779 1.00 0.00 H new ATOM 0 HB2 GLU B 201 4.362 -15.723 -5.576 1.00 0.00 H new ATOM 0 HB3 GLU B 201 4.032 -16.796 -6.922 1.00 0.00 H new ATOM 0 HG2 GLU B 201 2.108 -16.861 -4.594 1.00 0.00 H new ATOM 0 HG3 GLU B 201 2.052 -15.460 -5.645 1.00 0.00 H new