USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=7 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 -170:sc= 0.00304 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.751 X(o=-0.75,f=-0.25) 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+ 147:sc= 0 (180deg=-0.0158) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 GLN : amide:sc=-0.00746 X(o=-0.0075,f=0) USER MOD Single : B 168 SER OG : rot -17:sc=0.000799 USER MOD Single : B 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 174 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 175 ASN : amide:sc= -0.899 K(o=-0.9,f=-1.6) USER MOD Single : B 176 MET CE :methyl -178:sc= -7.14! (180deg=-7.3!) USER MOD Single : B 184 THR OG1 : rot 89:sc= 1.19 USER MOD Single : B 185 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 188 GLN : amide:sc= -0.512 X(o=-0.51,f=-0.29) USER MOD Single : B 189 GLN : amide:sc= -0.127 K(o=-0.13,f=-2) 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+ 157:sc= -0.471 (180deg=-1.34) USER MOD Single : B 197 GLN : amide:sc= -1.78 K(o=-1.8,f=-3!) USER MOD Single : B 198 GLN : amide:sc= -0.442 X(o=-0.44,f=-0.08) USER MOD Single : B 199 GLN : amide:sc= -0.817 X(o=-0.82,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 161 N LEU A 62 0.536 -18.193 2.889 1.00 0.00 N ATOM 162 CA LEU A 62 0.155 -17.137 1.901 1.00 0.00 C ATOM 163 C LEU A 62 -1.152 -16.466 2.329 1.00 0.00 C ATOM 164 O LEU A 62 -1.387 -15.308 2.041 1.00 0.00 O ATOM 165 CB LEU A 62 -0.030 -17.875 0.573 1.00 0.00 C ATOM 166 CG LEU A 62 -0.003 -16.868 -0.579 1.00 0.00 C ATOM 167 CD1 LEU A 62 0.624 -17.520 -1.812 1.00 0.00 C ATOM 168 CD2 LEU A 62 -1.432 -16.430 -0.907 1.00 0.00 C ATOM 0 HA LEU A 62 0.908 -16.353 1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.760 -18.614 0.442 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.976 -18.417 0.574 1.00 0.00 H new ATOM 0 HG LEU A 62 0.587 -15.999 -0.287 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.643 -16.803 -2.633 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.642 -17.833 -1.580 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.034 -18.389 -2.103 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.413 -15.713 -1.727 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.021 -17.299 -1.198 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.881 -15.965 -0.029 1.00 0.00 H new ATOM 180 N GLU A 63 -2.001 -17.187 3.017 1.00 0.00 N ATOM 181 CA GLU A 63 -3.298 -16.595 3.469 1.00 0.00 C ATOM 182 C GLU A 63 -3.042 -15.513 4.519 1.00 0.00 C ATOM 183 O GLU A 63 -3.683 -14.480 4.526 1.00 0.00 O ATOM 184 CB GLU A 63 -4.085 -17.758 4.077 1.00 0.00 C ATOM 185 CG GLU A 63 -4.909 -18.443 2.984 1.00 0.00 C ATOM 186 CD GLU A 63 -5.780 -19.534 3.609 1.00 0.00 C ATOM 187 OE1 GLU A 63 -6.446 -19.245 4.590 1.00 0.00 O ATOM 188 OE2 GLU A 63 -5.768 -20.641 3.095 1.00 0.00 O ATOM 0 H GLU A 63 -1.853 -18.160 3.285 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.843 -16.125 2.650 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.402 -18.474 4.535 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.741 -17.393 4.867 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.535 -17.711 2.473 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.248 -18.876 2.233 1.00 0.00 H new ATOM 195 N GLU A 64 -2.104 -15.745 5.400 1.00 0.00 N ATOM 196 CA GLU A 64 -1.792 -14.730 6.451 1.00 0.00 C ATOM 197 C GLU A 64 -1.046 -13.552 5.826 1.00 0.00 C ATOM 198 O GLU A 64 -1.169 -12.424 6.266 1.00 0.00 O ATOM 199 CB GLU A 64 -0.903 -15.458 7.463 1.00 0.00 C ATOM 200 CG GLU A 64 -1.035 -14.788 8.833 1.00 0.00 C ATOM 201 CD GLU A 64 -2.259 -15.349 9.559 1.00 0.00 C ATOM 202 OE1 GLU A 64 -3.340 -14.824 9.350 1.00 0.00 O ATOM 203 OE2 GLU A 64 -2.094 -16.295 10.312 1.00 0.00 O ATOM 0 H GLU A 64 -1.540 -16.594 5.437 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.690 -14.329 6.922 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.193 -16.507 7.530 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.136 -15.435 7.134 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.136 -14.964 9.424 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.132 -13.709 8.714 1.00 0.00 H new ATOM 210 N THR A 65 -0.281 -13.807 4.796 1.00 0.00 N ATOM 211 CA THR A 65 0.472 -12.707 4.125 1.00 0.00 C ATOM 212 C THR A 65 -0.490 -11.856 3.292 1.00 0.00 C ATOM 213 O THR A 65 -0.282 -10.673 3.105 1.00 0.00 O ATOM 214 CB THR A 65 1.491 -13.406 3.222 1.00 0.00 C ATOM 215 OG1 THR A 65 2.146 -14.430 3.957 1.00 0.00 O ATOM 216 CG2 THR A 65 2.521 -12.389 2.729 1.00 0.00 C ATOM 0 H THR A 65 -0.145 -14.733 4.390 1.00 0.00 H new ATOM 0 HA THR A 65 0.959 -12.042 4.838 1.00 0.00 H new ATOM 0 HB THR A 65 0.979 -13.844 2.365 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.903 -14.773 3.437 1.00 0.00 H new ATOM 0 HG21 THR A 65 3.246 -12.888 2.086 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.016 -11.604 2.166 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.036 -11.949 3.583 1.00 0.00 H new ATOM 224 N LYS A 66 -1.545 -12.455 2.798 1.00 0.00 N ATOM 225 CA LYS A 66 -2.532 -11.687 1.980 1.00 0.00 C ATOM 226 C LYS A 66 -3.327 -10.733 2.876 1.00 0.00 C ATOM 227 O LYS A 66 -3.789 -9.697 2.435 1.00 0.00 O ATOM 228 CB LYS A 66 -3.457 -12.742 1.366 1.00 0.00 C ATOM 229 CG LYS A 66 -3.047 -13.004 -0.086 1.00 0.00 C ATOM 230 CD LYS A 66 -3.463 -11.817 -0.956 1.00 0.00 C ATOM 231 CE LYS A 66 -2.855 -11.967 -2.353 1.00 0.00 C ATOM 232 NZ LYS A 66 -3.936 -12.570 -3.180 1.00 0.00 N ATOM 0 H LYS A 66 -1.765 -13.443 2.926 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.048 -11.080 1.215 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.404 -13.666 1.942 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.491 -12.401 1.406 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.969 -13.155 -0.149 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.518 -13.917 -0.449 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.550 -11.767 -1.025 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.129 -10.885 -0.501 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.543 -11.002 -2.753 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.971 -12.605 -2.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.595 -12.704 -4.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.208 -13.490 -2.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.762 -11.938 -3.187 1.00 0.00 H new ATOM 246 N GLU A 67 -3.487 -11.078 4.130 1.00 0.00 N ATOM 247 CA GLU A 67 -4.251 -10.192 5.061 1.00 0.00 C ATOM 248 C GLU A 67 -3.454 -8.920 5.350 1.00 0.00 C ATOM 249 O GLU A 67 -4.015 -7.854 5.526 1.00 0.00 O ATOM 250 CB GLU A 67 -4.436 -11.012 6.340 1.00 0.00 C ATOM 251 CG GLU A 67 -5.330 -10.244 7.314 1.00 0.00 C ATOM 252 CD GLU A 67 -6.788 -10.655 7.102 1.00 0.00 C ATOM 253 OE1 GLU A 67 -7.196 -10.751 5.957 1.00 0.00 O ATOM 254 OE2 GLU A 67 -7.473 -10.867 8.090 1.00 0.00 O ATOM 0 H GLU A 67 -3.122 -11.934 4.548 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.207 -9.881 4.639 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.883 -11.978 6.104 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.468 -11.212 6.799 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.029 -10.451 8.341 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.217 -9.171 7.159 1.00 0.00 H new ATOM 261 N GLN A 68 -2.151 -9.025 5.392 1.00 0.00 N ATOM 262 CA GLN A 68 -1.308 -7.822 5.662 1.00 0.00 C ATOM 263 C GLN A 68 -1.227 -6.953 4.408 1.00 0.00 C ATOM 264 O GLN A 68 -1.180 -5.739 4.483 1.00 0.00 O ATOM 265 CB GLN A 68 0.072 -8.369 6.030 1.00 0.00 C ATOM 266 CG GLN A 68 0.996 -7.211 6.412 1.00 0.00 C ATOM 267 CD GLN A 68 0.507 -6.577 7.716 1.00 0.00 C ATOM 268 OE1 GLN A 68 0.917 -6.973 8.789 1.00 0.00 O ATOM 269 NE2 GLN A 68 -0.359 -5.601 7.668 1.00 0.00 N ATOM 0 H GLN A 68 -1.634 -9.893 5.251 1.00 0.00 H new ATOM 0 HA GLN A 68 -1.717 -7.200 6.458 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -0.013 -9.070 6.861 1.00 0.00 H new ATOM 0 HB3 GLN A 68 0.492 -8.921 5.189 1.00 0.00 H new ATOM 0 HG2 GLN A 68 2.018 -7.571 6.531 1.00 0.00 H new ATOM 0 HG3 GLN A 68 1.011 -6.466 5.616 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -0.703 -5.268 6.767 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -0.691 -5.171 8.531 1.00 0.00 H new ATOM 278 N ILE A 69 -1.220 -7.570 3.256 1.00 0.00 N ATOM 279 CA ILE A 69 -1.154 -6.791 1.983 1.00 0.00 C ATOM 280 C ILE A 69 -2.515 -6.145 1.702 1.00 0.00 C ATOM 281 O ILE A 69 -2.600 -5.110 1.067 1.00 0.00 O ATOM 282 CB ILE A 69 -0.803 -7.814 0.896 1.00 0.00 C ATOM 283 CG1 ILE A 69 0.536 -8.476 1.229 1.00 0.00 C ATOM 284 CG2 ILE A 69 -0.692 -7.107 -0.458 1.00 0.00 C ATOM 285 CD1 ILE A 69 0.721 -9.721 0.358 1.00 0.00 C ATOM 0 H ILE A 69 -1.257 -8.583 3.141 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.418 -5.988 2.025 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.585 -8.572 0.850 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.353 -7.775 1.058 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.566 -8.749 2.284 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.442 -7.835 -1.229 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.643 -6.633 -0.700 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.089 -6.348 -0.409 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.675 -10.193 0.595 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.089 -10.424 0.551 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.710 -9.434 -0.694 1.00 0.00 H new ATOM 297 N LEU A 70 -3.577 -6.748 2.177 1.00 0.00 N ATOM 298 CA LEU A 70 -4.936 -6.171 1.948 1.00 0.00 C ATOM 299 C LEU A 70 -5.140 -4.944 2.839 1.00 0.00 C ATOM 300 O LEU A 70 -5.860 -4.027 2.492 1.00 0.00 O ATOM 301 CB LEU A 70 -5.916 -7.282 2.330 1.00 0.00 C ATOM 302 CG LEU A 70 -7.342 -6.843 1.993 1.00 0.00 C ATOM 303 CD1 LEU A 70 -8.192 -8.072 1.671 1.00 0.00 C ATOM 304 CD2 LEU A 70 -7.944 -6.107 3.192 1.00 0.00 C ATOM 0 H LEU A 70 -3.560 -7.615 2.714 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.078 -5.846 0.917 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.670 -8.199 1.794 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.834 -7.504 3.394 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.323 -6.179 1.129 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.208 -7.759 1.431 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.763 -8.598 0.818 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.212 -8.737 2.534 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.960 -5.793 2.954 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.963 -6.772 4.055 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.338 -5.230 3.422 1.00 0.00 H new ATOM 316 N LYS A 71 -4.504 -4.920 3.985 1.00 0.00 N ATOM 317 CA LYS A 71 -4.653 -3.749 4.903 1.00 0.00 C ATOM 318 C LYS A 71 -3.859 -2.559 4.363 1.00 0.00 C ATOM 319 O LYS A 71 -4.299 -1.427 4.431 1.00 0.00 O ATOM 320 CB LYS A 71 -4.084 -4.213 6.245 1.00 0.00 C ATOM 321 CG LYS A 71 -5.131 -5.046 6.986 1.00 0.00 C ATOM 322 CD LYS A 71 -6.194 -4.120 7.579 1.00 0.00 C ATOM 323 CE LYS A 71 -5.683 -3.531 8.896 1.00 0.00 C ATOM 324 NZ LYS A 71 -6.576 -2.372 9.172 1.00 0.00 N ATOM 0 H LYS A 71 -3.889 -5.660 4.324 1.00 0.00 H new ATOM 0 HA LYS A 71 -5.690 -3.427 4.997 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.182 -4.804 6.084 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.798 -3.351 6.848 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.594 -5.758 6.303 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.656 -5.626 7.778 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.427 -3.320 6.877 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.118 -4.672 7.750 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.729 -4.265 9.701 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.643 -3.216 8.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.288 -1.916 10.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.506 -1.687 8.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.558 -2.703 9.255 1.00 0.00 H new ATOM 338 N LEU A 72 -2.695 -2.811 3.820 1.00 0.00 N ATOM 339 CA LEU A 72 -1.869 -1.698 3.263 1.00 0.00 C ATOM 340 C LEU A 72 -2.513 -1.161 1.982 1.00 0.00 C ATOM 341 O LEU A 72 -2.353 -0.006 1.637 1.00 0.00 O ATOM 342 CB LEU A 72 -0.497 -2.317 2.971 1.00 0.00 C ATOM 343 CG LEU A 72 0.606 -1.387 3.487 1.00 0.00 C ATOM 344 CD1 LEU A 72 0.541 -1.311 5.014 1.00 0.00 C ATOM 345 CD2 LEU A 72 1.973 -1.929 3.062 1.00 0.00 C ATOM 0 H LEU A 72 -2.281 -3.740 3.738 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.786 -0.857 3.952 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.418 -3.293 3.450 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.380 -2.477 1.899 1.00 0.00 H new ATOM 0 HG LEU A 72 0.463 -0.391 3.068 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.326 -0.649 5.379 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.431 -0.923 5.318 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.681 -2.307 5.434 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.757 -1.267 3.429 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.115 -2.926 3.479 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.022 -1.981 1.974 1.00 0.00 H new ATOM 357 N GLU A 73 -3.251 -1.989 1.284 1.00 0.00 N ATOM 358 CA GLU A 73 -3.919 -1.523 0.031 1.00 0.00 C ATOM 359 C GLU A 73 -5.072 -0.582 0.385 1.00 0.00 C ATOM 360 O GLU A 73 -5.364 0.353 -0.336 1.00 0.00 O ATOM 361 CB GLU A 73 -4.444 -2.793 -0.647 1.00 0.00 C ATOM 362 CG GLU A 73 -4.162 -2.729 -2.149 1.00 0.00 C ATOM 363 CD GLU A 73 -4.144 -4.146 -2.727 1.00 0.00 C ATOM 364 OE1 GLU A 73 -5.159 -4.816 -2.631 1.00 0.00 O ATOM 365 OE2 GLU A 73 -3.116 -4.536 -3.254 1.00 0.00 O ATOM 0 H GLU A 73 -3.419 -2.965 1.528 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.242 -0.975 -0.624 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.966 -3.672 -0.214 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -5.515 -2.894 -0.472 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.925 -2.131 -2.648 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -3.205 -2.239 -2.329 1.00 0.00 H new ATOM 372 N GLU A 74 -5.718 -0.823 1.496 1.00 0.00 N ATOM 373 CA GLU A 74 -6.849 0.058 1.916 1.00 0.00 C ATOM 374 C GLU A 74 -6.298 1.388 2.433 1.00 0.00 C ATOM 375 O GLU A 74 -6.930 2.422 2.316 1.00 0.00 O ATOM 376 CB GLU A 74 -7.563 -0.703 3.038 1.00 0.00 C ATOM 377 CG GLU A 74 -8.863 -1.310 2.505 1.00 0.00 C ATOM 378 CD GLU A 74 -9.632 -1.958 3.656 1.00 0.00 C ATOM 379 OE1 GLU A 74 -8.992 -2.537 4.519 1.00 0.00 O ATOM 380 OE2 GLU A 74 -10.849 -1.865 3.656 1.00 0.00 O ATOM 0 H GLU A 74 -5.511 -1.593 2.132 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.528 0.284 1.094 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -6.916 -1.489 3.426 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.778 -0.029 3.867 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.472 -0.537 2.036 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.643 -2.052 1.737 1.00 0.00 H new ATOM 387 N LYS A 75 -5.119 1.366 2.999 1.00 0.00 N ATOM 388 CA LYS A 75 -4.509 2.624 3.523 1.00 0.00 C ATOM 389 C LYS A 75 -4.064 3.509 2.358 1.00 0.00 C ATOM 390 O LYS A 75 -4.187 4.718 2.404 1.00 0.00 O ATOM 391 CB LYS A 75 -3.302 2.174 4.349 1.00 0.00 C ATOM 392 CG LYS A 75 -2.948 3.257 5.371 1.00 0.00 C ATOM 393 CD LYS A 75 -1.937 2.701 6.375 1.00 0.00 C ATOM 394 CE LYS A 75 -1.168 3.857 7.019 1.00 0.00 C ATOM 395 NZ LYS A 75 -0.269 3.212 8.016 1.00 0.00 N ATOM 0 H LYS A 75 -4.551 0.528 3.121 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.210 3.206 4.121 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.526 1.237 4.859 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.451 1.985 3.695 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.532 4.128 4.864 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.847 3.590 5.890 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -2.451 2.121 7.141 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.245 2.025 5.874 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.598 4.415 6.276 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.846 4.564 7.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.292 3.941 8.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.840 2.694 8.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.369 2.549 7.531 1.00 0.00 H new ATOM 409 N LEU A 76 -3.553 2.911 1.310 1.00 0.00 N ATOM 410 CA LEU A 76 -3.103 3.713 0.132 1.00 0.00 C ATOM 411 C LEU A 76 -4.310 4.366 -0.548 1.00 0.00 C ATOM 412 O LEU A 76 -4.210 5.439 -1.112 1.00 0.00 O ATOM 413 CB LEU A 76 -2.432 2.710 -0.811 1.00 0.00 C ATOM 414 CG LEU A 76 -1.884 3.445 -2.036 1.00 0.00 C ATOM 415 CD1 LEU A 76 -0.622 4.217 -1.648 1.00 0.00 C ATOM 416 CD2 LEU A 76 -1.543 2.429 -3.129 1.00 0.00 C ATOM 0 H LEU A 76 -3.428 1.903 1.220 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.421 4.514 0.416 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.624 2.193 -0.293 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.150 1.950 -1.121 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.636 4.142 -2.407 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.233 4.740 -2.521 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.863 4.941 -0.869 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.130 3.521 -1.276 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.152 2.951 -4.002 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.792 1.733 -2.757 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.442 1.879 -3.407 1.00 0.00 H new ATOM 428 N LEU A 77 -5.447 3.723 -0.492 1.00 0.00 N ATOM 429 CA LEU A 77 -6.670 4.299 -1.127 1.00 0.00 C ATOM 430 C LEU A 77 -7.231 5.420 -0.251 1.00 0.00 C ATOM 431 O LEU A 77 -7.762 6.398 -0.744 1.00 0.00 O ATOM 432 CB LEU A 77 -7.661 3.138 -1.219 1.00 0.00 C ATOM 433 CG LEU A 77 -8.719 3.449 -2.279 1.00 0.00 C ATOM 434 CD1 LEU A 77 -8.103 3.310 -3.672 1.00 0.00 C ATOM 435 CD2 LEU A 77 -9.883 2.466 -2.137 1.00 0.00 C ATOM 0 H LEU A 77 -5.582 2.822 -0.033 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.465 4.729 -2.107 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.136 2.218 -1.474 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.137 2.976 -0.252 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.082 4.468 -2.143 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.857 3.532 -4.427 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.272 4.008 -3.774 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.740 2.291 -3.809 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -10.639 2.685 -2.891 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.518 1.448 -2.274 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.322 2.563 -1.144 1.00 0.00 H new ATOM 447 N ALA A 78 -7.108 5.282 1.042 1.00 0.00 N ATOM 448 CA ALA A 78 -7.622 6.339 1.964 1.00 0.00 C ATOM 449 C ALA A 78 -6.690 7.552 1.938 1.00 0.00 C ATOM 450 O ALA A 78 -7.108 8.671 2.164 1.00 0.00 O ATOM 451 CB ALA A 78 -7.627 5.695 3.352 1.00 0.00 C ATOM 0 H ALA A 78 -6.673 4.482 1.501 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.614 6.689 1.679 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.994 6.413 4.085 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -8.277 4.820 3.345 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -6.614 5.392 3.616 1.00 0.00 H new ATOM 457 N LEU A 79 -5.428 7.334 1.659 1.00 0.00 N ATOM 458 CA LEU A 79 -4.460 8.470 1.610 1.00 0.00 C ATOM 459 C LEU A 79 -4.650 9.258 0.311 1.00 0.00 C ATOM 460 O LEU A 79 -4.524 10.469 0.287 1.00 0.00 O ATOM 461 CB LEU A 79 -3.065 7.821 1.659 1.00 0.00 C ATOM 462 CG LEU A 79 -2.293 8.299 2.899 1.00 0.00 C ATOM 463 CD1 LEU A 79 -2.131 9.822 2.861 1.00 0.00 C ATOM 464 CD2 LEU A 79 -3.053 7.895 4.168 1.00 0.00 C ATOM 0 H LEU A 79 -5.028 6.417 1.463 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.601 9.171 2.433 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.163 6.736 1.680 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.508 8.073 0.757 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.307 7.835 2.903 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.583 10.152 3.744 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.581 10.107 1.964 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.114 10.292 2.848 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.503 8.235 5.045 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.043 8.352 4.160 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.154 6.810 4.202 1.00 0.00 H new ATOM 476 N GLN A 80 -4.956 8.579 -0.766 1.00 0.00 N ATOM 477 CA GLN A 80 -5.164 9.287 -2.066 1.00 0.00 C ATOM 478 C GLN A 80 -6.491 10.047 -2.038 1.00 0.00 C ATOM 479 O GLN A 80 -6.646 11.065 -2.685 1.00 0.00 O ATOM 480 CB GLN A 80 -5.195 8.184 -3.127 1.00 0.00 C ATOM 481 CG GLN A 80 -5.233 8.816 -4.519 1.00 0.00 C ATOM 482 CD GLN A 80 -3.810 8.933 -5.067 1.00 0.00 C ATOM 483 OE1 GLN A 80 -3.243 7.963 -5.530 1.00 0.00 O ATOM 484 NE2 GLN A 80 -3.203 10.087 -5.032 1.00 0.00 N ATOM 0 H GLN A 80 -5.071 7.566 -0.801 1.00 0.00 H new ATOM 0 HA GLN A 80 -4.380 10.017 -2.270 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -4.317 7.546 -3.029 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -6.068 7.548 -2.981 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -5.843 8.209 -5.189 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -5.697 9.801 -4.470 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -3.678 10.902 -4.644 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -2.253 10.175 -5.393 1.00 0.00 H new ATOM 493 N GLU A 81 -7.444 9.560 -1.285 1.00 0.00 N ATOM 494 CA GLU A 81 -8.764 10.252 -1.199 1.00 0.00 C ATOM 495 C GLU A 81 -8.626 11.542 -0.386 1.00 0.00 C ATOM 496 O GLU A 81 -9.358 12.492 -0.587 1.00 0.00 O ATOM 497 CB GLU A 81 -9.693 9.266 -0.487 1.00 0.00 C ATOM 498 CG GLU A 81 -10.098 8.153 -1.456 1.00 0.00 C ATOM 499 CD GLU A 81 -11.213 8.656 -2.374 1.00 0.00 C ATOM 500 OE1 GLU A 81 -12.157 9.237 -1.864 1.00 0.00 O ATOM 501 OE2 GLU A 81 -11.105 8.452 -3.572 1.00 0.00 O ATOM 0 H GLU A 81 -7.364 8.711 -0.725 1.00 0.00 H new ATOM 0 HA GLU A 81 -9.148 10.529 -2.181 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.191 8.841 0.382 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -10.579 9.785 -0.122 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -9.238 7.841 -2.048 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -10.437 7.278 -0.901 1.00 0.00 H new ATOM 508 N GLU A 82 -7.690 11.577 0.528 1.00 0.00 N ATOM 509 CA GLU A 82 -7.493 12.805 1.358 1.00 0.00 C ATOM 510 C GLU A 82 -6.891 13.923 0.505 1.00 0.00 C ATOM 511 O GLU A 82 -7.283 15.071 0.609 1.00 0.00 O ATOM 512 CB GLU A 82 -6.523 12.391 2.469 1.00 0.00 C ATOM 513 CG GLU A 82 -7.301 12.125 3.760 1.00 0.00 C ATOM 514 CD GLU A 82 -7.790 13.450 4.346 1.00 0.00 C ATOM 515 OE1 GLU A 82 -6.995 14.373 4.419 1.00 0.00 O ATOM 516 OE2 GLU A 82 -8.953 13.521 4.709 1.00 0.00 O ATOM 0 H GLU A 82 -7.053 10.808 0.736 1.00 0.00 H new ATOM 0 HA GLU A 82 -8.431 13.183 1.764 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.975 11.497 2.172 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.786 13.177 2.633 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -8.149 11.470 3.557 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.665 11.610 4.480 1.00 0.00 H new ATOM 523 N LYS A 83 -5.946 13.596 -0.342 1.00 0.00 N ATOM 524 CA LYS A 83 -5.322 14.643 -1.208 1.00 0.00 C ATOM 525 C LYS A 83 -6.366 15.201 -2.179 1.00 0.00 C ATOM 526 O LYS A 83 -6.302 16.347 -2.582 1.00 0.00 O ATOM 527 CB LYS A 83 -4.203 13.929 -1.970 1.00 0.00 C ATOM 528 CG LYS A 83 -3.461 14.935 -2.853 1.00 0.00 C ATOM 529 CD LYS A 83 -2.061 14.403 -3.168 1.00 0.00 C ATOM 530 CE LYS A 83 -1.376 15.332 -4.173 1.00 0.00 C ATOM 531 NZ LYS A 83 -1.837 14.860 -5.508 1.00 0.00 N ATOM 0 H LYS A 83 -5.581 12.652 -0.471 1.00 0.00 H new ATOM 0 HA LYS A 83 -4.937 15.483 -0.629 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.510 13.465 -1.268 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -4.619 13.129 -2.583 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -4.015 15.102 -3.777 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -3.390 15.897 -2.346 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.470 14.340 -2.254 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -2.127 13.394 -3.576 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -1.655 16.372 -4.004 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.291 15.275 -4.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -1.911 15.670 -6.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -1.154 14.174 -5.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -2.768 14.406 -5.413 1.00 0.00 H new ATOM 545 N HIS A 84 -7.330 14.396 -2.550 1.00 0.00 N ATOM 546 CA HIS A 84 -8.390 14.872 -3.490 1.00 0.00 C ATOM 547 C HIS A 84 -9.208 15.982 -2.830 1.00 0.00 C ATOM 548 O HIS A 84 -9.667 16.900 -3.483 1.00 0.00 O ATOM 549 CB HIS A 84 -9.267 13.649 -3.769 1.00 0.00 C ATOM 550 CG HIS A 84 -10.091 13.894 -5.002 1.00 0.00 C ATOM 551 ND1 HIS A 84 -9.570 13.761 -6.279 1.00 0.00 N ATOM 552 CD2 HIS A 84 -11.403 14.264 -5.170 1.00 0.00 C ATOM 553 CE1 HIS A 84 -10.553 14.047 -7.151 1.00 0.00 C ATOM 554 NE2 HIS A 84 -11.692 14.361 -6.529 1.00 0.00 N ATOM 0 H HIS A 84 -7.429 13.429 -2.242 1.00 0.00 H new ATOM 0 HA HIS A 84 -7.972 15.282 -4.410 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -8.644 12.765 -3.905 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -9.918 13.453 -2.917 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -12.104 14.451 -4.370 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -10.435 14.025 -8.224 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -12.582 14.617 -6.957 1.00 0.00 H new ATOM 562 N GLN A 85 -9.387 15.903 -1.536 1.00 0.00 N ATOM 563 CA GLN A 85 -10.170 16.955 -0.819 1.00 0.00 C ATOM 564 C GLN A 85 -9.386 18.270 -0.812 1.00 0.00 C ATOM 565 O GLN A 85 -9.959 19.343 -0.803 1.00 0.00 O ATOM 566 CB GLN A 85 -10.346 16.428 0.607 1.00 0.00 C ATOM 567 CG GLN A 85 -11.719 15.765 0.743 1.00 0.00 C ATOM 568 CD GLN A 85 -12.744 16.803 1.202 1.00 0.00 C ATOM 569 OE1 GLN A 85 -12.885 17.053 2.383 1.00 0.00 O ATOM 570 NE2 GLN A 85 -13.470 17.423 0.313 1.00 0.00 N ATOM 0 H GLN A 85 -9.025 15.155 -0.945 1.00 0.00 H new ATOM 0 HA GLN A 85 -11.130 17.152 -1.295 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -9.560 15.710 0.840 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -10.253 17.246 1.322 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -12.023 15.335 -0.211 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -11.669 14.946 1.460 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -13.352 17.213 -0.678 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -14.156 18.117 0.609 1.00 0.00 H new ATOM 579 N LEU A 86 -8.079 18.188 -0.823 1.00 0.00 N ATOM 580 CA LEU A 86 -7.246 19.431 -0.823 1.00 0.00 C ATOM 581 C LEU A 86 -7.431 20.182 -2.144 1.00 0.00 C ATOM 582 O LEU A 86 -7.458 21.398 -2.176 1.00 0.00 O ATOM 583 CB LEU A 86 -5.797 18.948 -0.677 1.00 0.00 C ATOM 584 CG LEU A 86 -5.312 19.196 0.753 1.00 0.00 C ATOM 585 CD1 LEU A 86 -4.348 18.081 1.166 1.00 0.00 C ATOM 586 CD2 LEU A 86 -4.589 20.543 0.819 1.00 0.00 C ATOM 0 H LEU A 86 -7.552 17.315 -0.832 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.525 20.115 -0.021 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.732 17.886 -0.914 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.156 19.473 -1.385 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.167 19.207 1.429 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.002 18.258 2.185 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.861 17.120 1.118 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.493 18.070 0.490 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.243 20.721 1.837 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.735 20.531 0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.274 21.338 0.524 1.00 0.00 H new ATOM 598 N PHE A 87 -7.560 19.464 -3.232 1.00 0.00 N ATOM 599 CA PHE A 87 -7.746 20.132 -4.558 1.00 0.00 C ATOM 600 C PHE A 87 -9.035 20.955 -4.552 1.00 0.00 C ATOM 601 O PHE A 87 -9.121 21.997 -5.175 1.00 0.00 O ATOM 602 CB PHE A 87 -7.838 18.994 -5.577 1.00 0.00 C ATOM 603 CG PHE A 87 -6.488 18.776 -6.219 1.00 0.00 C ATOM 604 CD1 PHE A 87 -5.546 17.946 -5.602 1.00 0.00 C ATOM 605 CD2 PHE A 87 -6.181 19.406 -7.431 1.00 0.00 C ATOM 606 CE1 PHE A 87 -4.294 17.744 -6.197 1.00 0.00 C ATOM 607 CE2 PHE A 87 -4.930 19.204 -8.027 1.00 0.00 C ATOM 608 CZ PHE A 87 -3.987 18.373 -7.410 1.00 0.00 C ATOM 0 H PHE A 87 -7.545 18.444 -3.260 1.00 0.00 H new ATOM 0 HA PHE A 87 -6.930 20.815 -4.793 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -8.170 18.079 -5.086 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -8.579 19.234 -6.339 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -5.784 17.461 -4.667 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.909 20.047 -7.906 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -3.566 17.104 -5.721 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -4.693 19.689 -8.962 1.00 0.00 H new ATOM 0 HZ PHE A 87 -3.022 18.217 -7.870 1.00 0.00 H new ATOM 618 N LEU A 88 -10.034 20.495 -3.845 1.00 0.00 N ATOM 619 CA LEU A 88 -11.324 21.245 -3.783 1.00 0.00 C ATOM 620 C LEU A 88 -11.191 22.427 -2.819 1.00 0.00 C ATOM 621 O LEU A 88 -11.842 23.443 -2.975 1.00 0.00 O ATOM 622 CB LEU A 88 -12.350 20.237 -3.262 1.00 0.00 C ATOM 623 CG LEU A 88 -12.966 19.481 -4.440 1.00 0.00 C ATOM 624 CD1 LEU A 88 -12.112 18.255 -4.763 1.00 0.00 C ATOM 625 CD2 LEU A 88 -14.382 19.032 -4.071 1.00 0.00 C ATOM 0 H LEU A 88 -10.012 19.629 -3.306 1.00 0.00 H new ATOM 0 HA LEU A 88 -11.616 21.651 -4.752 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -11.872 19.537 -2.577 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -13.129 20.752 -2.700 1.00 0.00 H new ATOM 0 HG LEU A 88 -13.006 20.135 -5.311 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -12.551 17.716 -5.603 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -11.103 18.573 -5.024 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -12.072 17.600 -3.893 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -14.823 18.493 -4.910 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -14.341 18.378 -3.200 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -14.992 19.905 -3.840 1.00 0.00 H new ATOM 637 N GLN A 89 -10.349 22.297 -1.827 1.00 0.00 N ATOM 638 CA GLN A 89 -10.157 23.405 -0.845 1.00 0.00 C ATOM 639 C GLN A 89 -9.062 24.366 -1.325 1.00 0.00 C ATOM 640 O GLN A 89 -9.002 25.505 -0.902 1.00 0.00 O ATOM 641 CB GLN A 89 -9.732 22.714 0.452 1.00 0.00 C ATOM 642 CG GLN A 89 -10.963 22.458 1.321 1.00 0.00 C ATOM 643 CD GLN A 89 -10.533 22.301 2.781 1.00 0.00 C ATOM 644 OE1 GLN A 89 -11.107 22.907 3.665 1.00 0.00 O ATOM 645 NE2 GLN A 89 -9.540 21.507 3.075 1.00 0.00 N ATOM 0 H GLN A 89 -9.783 21.466 -1.654 1.00 0.00 H new ATOM 0 HA GLN A 89 -11.061 24.000 -0.716 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -9.230 21.773 0.227 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -9.017 23.336 0.990 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -11.667 23.284 1.225 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -11.479 21.559 0.984 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -9.058 20.998 2.334 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -9.246 21.395 4.045 1.00 0.00 H new ATOM 654 N LEU A 90 -8.195 23.919 -2.207 1.00 0.00 N ATOM 655 CA LEU A 90 -7.100 24.810 -2.714 1.00 0.00 C ATOM 656 C LEU A 90 -7.684 26.109 -3.286 1.00 0.00 C ATOM 657 O LEU A 90 -7.190 27.166 -2.928 1.00 0.00 O ATOM 658 CB LEU A 90 -6.406 24.006 -3.819 1.00 0.00 C ATOM 659 CG LEU A 90 -5.233 24.810 -4.383 1.00 0.00 C ATOM 660 CD1 LEU A 90 -4.167 24.992 -3.301 1.00 0.00 C ATOM 661 CD2 LEU A 90 -4.628 24.063 -5.574 1.00 0.00 C ATOM 662 OXT LEU A 90 -8.614 26.024 -4.071 1.00 0.00 O ATOM 0 H LEU A 90 -8.199 22.976 -2.597 1.00 0.00 H new ATOM 0 HA LEU A 90 -6.409 25.096 -1.921 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.050 23.056 -3.422 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.115 23.774 -4.613 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.589 25.788 -4.708 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -3.332 25.565 -3.705 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.597 25.525 -2.453 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.811 24.015 -2.973 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.792 24.636 -5.976 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.274 23.085 -5.248 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.386 23.936 -6.347 1.00 0.00 H new ATOM 675 N GLY B 166 -9.120 28.195 -0.241 1.00 0.00 N ATOM 676 CA GLY B 166 -8.230 27.545 0.763 1.00 0.00 C ATOM 677 C GLY B 166 -8.137 28.423 2.010 1.00 0.00 C ATOM 678 O GLY B 166 -9.104 28.605 2.725 1.00 0.00 O ATOM 0 HA2 GLY B 166 -8.619 26.562 1.027 1.00 0.00 H new ATOM 0 HA3 GLY B 166 -7.238 27.392 0.339 1.00 0.00 H new ATOM 684 N LEU B 167 -6.974 28.958 2.278 1.00 0.00 N ATOM 685 CA LEU B 167 -6.800 29.820 3.485 1.00 0.00 C ATOM 686 C LEU B 167 -5.845 30.984 3.189 1.00 0.00 C ATOM 687 O LEU B 167 -6.089 32.107 3.590 1.00 0.00 O ATOM 688 CB LEU B 167 -6.225 28.892 4.568 1.00 0.00 C ATOM 689 CG LEU B 167 -4.952 28.191 4.068 1.00 0.00 C ATOM 690 CD1 LEU B 167 -3.727 28.998 4.483 1.00 0.00 C ATOM 691 CD2 LEU B 167 -4.875 26.791 4.675 1.00 0.00 C ATOM 0 H LEU B 167 -6.135 28.835 1.711 1.00 0.00 H new ATOM 0 HA LEU B 167 -7.740 30.271 3.802 1.00 0.00 H new ATOM 0 HB2 LEU B 167 -5.999 29.469 5.465 1.00 0.00 H new ATOM 0 HB3 LEU B 167 -6.970 28.147 4.847 1.00 0.00 H new ATOM 0 HG LEU B 167 -4.980 28.115 2.981 1.00 0.00 H new ATOM 0 HD11 LEU B 167 -2.825 28.499 4.128 1.00 0.00 H new ATOM 0 HD12 LEU B 167 -3.785 29.996 4.049 1.00 0.00 H new ATOM 0 HD13 LEU B 167 -3.694 29.076 5.570 1.00 0.00 H new ATOM 0 HD21 LEU B 167 -3.973 26.291 4.322 1.00 0.00 H new ATOM 0 HD22 LEU B 167 -4.847 26.867 5.762 1.00 0.00 H new ATOM 0 HD23 LEU B 167 -5.750 26.215 4.374 1.00 0.00 H new ATOM 703 N SER B 168 -4.764 30.729 2.492 1.00 0.00 N ATOM 704 CA SER B 168 -3.797 31.824 2.173 1.00 0.00 C ATOM 705 C SER B 168 -3.027 31.520 0.880 1.00 0.00 C ATOM 706 O SER B 168 -1.990 32.102 0.624 1.00 0.00 O ATOM 707 CB SER B 168 -2.840 31.864 3.363 1.00 0.00 C ATOM 708 OG SER B 168 -3.576 32.140 4.547 1.00 0.00 O ATOM 0 H SER B 168 -4.510 29.810 2.131 1.00 0.00 H new ATOM 0 HA SER B 168 -4.304 32.776 2.015 1.00 0.00 H new ATOM 0 HB2 SER B 168 -2.319 30.911 3.458 1.00 0.00 H new ATOM 0 HB3 SER B 168 -2.079 32.629 3.207 1.00 0.00 H new ATOM 0 HG SER B 168 -4.455 32.502 4.309 1.00 0.00 H new ATOM 714 N LYS B 169 -3.520 30.613 0.064 1.00 0.00 N ATOM 715 CA LYS B 169 -2.815 30.263 -1.214 1.00 0.00 C ATOM 716 C LYS B 169 -1.331 29.973 -0.958 1.00 0.00 C ATOM 717 O LYS B 169 -0.497 30.139 -1.827 1.00 0.00 O ATOM 718 CB LYS B 169 -2.978 31.491 -2.111 1.00 0.00 C ATOM 719 CG LYS B 169 -2.695 31.102 -3.565 1.00 0.00 C ATOM 720 CD LYS B 169 -3.886 30.326 -4.129 1.00 0.00 C ATOM 721 CE LYS B 169 -3.416 29.431 -5.279 1.00 0.00 C ATOM 722 NZ LYS B 169 -3.703 30.211 -6.514 1.00 0.00 N ATOM 0 H LYS B 169 -4.385 30.098 0.230 1.00 0.00 H new ATOM 0 HA LYS B 169 -3.230 29.365 -1.672 1.00 0.00 H new ATOM 0 HB2 LYS B 169 -3.988 31.890 -2.020 1.00 0.00 H new ATOM 0 HB3 LYS B 169 -2.295 32.279 -1.795 1.00 0.00 H new ATOM 0 HG2 LYS B 169 -2.514 31.995 -4.163 1.00 0.00 H new ATOM 0 HG3 LYS B 169 -1.792 30.494 -3.620 1.00 0.00 H new ATOM 0 HD2 LYS B 169 -4.342 29.720 -3.346 1.00 0.00 H new ATOM 0 HD3 LYS B 169 -4.650 31.018 -4.482 1.00 0.00 H new ATOM 0 HE2 LYS B 169 -2.353 29.203 -5.194 1.00 0.00 H new ATOM 0 HE3 LYS B 169 -3.947 28.479 -5.281 1.00 0.00 H new ATOM 0 HZ1 LYS B 169 -3.408 29.663 -7.347 1.00 0.00 H new ATOM 0 HZ2 LYS B 169 -4.723 30.407 -6.572 1.00 0.00 H new ATOM 0 HZ3 LYS B 169 -3.179 31.109 -6.487 1.00 0.00 H new ATOM 736 N GLU B 170 -1.006 29.541 0.233 1.00 0.00 N ATOM 737 CA GLU B 170 0.416 29.237 0.559 1.00 0.00 C ATOM 738 C GLU B 170 0.489 28.158 1.637 1.00 0.00 C ATOM 739 O GLU B 170 1.237 27.204 1.516 1.00 0.00 O ATOM 740 CB GLU B 170 0.999 30.554 1.071 1.00 0.00 C ATOM 741 CG GLU B 170 2.514 30.413 1.234 1.00 0.00 C ATOM 742 CD GLU B 170 3.075 31.669 1.903 1.00 0.00 C ATOM 743 OE1 GLU B 170 2.570 32.033 2.952 1.00 0.00 O ATOM 744 OE2 GLU B 170 4.000 32.244 1.355 1.00 0.00 O ATOM 0 H GLU B 170 -1.667 29.386 0.994 1.00 0.00 H new ATOM 0 HA GLU B 170 0.967 28.861 -0.303 1.00 0.00 H new ATOM 0 HB2 GLU B 170 0.771 31.360 0.374 1.00 0.00 H new ATOM 0 HB3 GLU B 170 0.543 30.819 2.025 1.00 0.00 H new ATOM 0 HG2 GLU B 170 2.745 29.534 1.835 1.00 0.00 H new ATOM 0 HG3 GLU B 170 2.983 30.266 0.261 1.00 0.00 H new ATOM 751 N GLU B 171 -0.285 28.295 2.682 1.00 0.00 N ATOM 752 CA GLU B 171 -0.263 27.266 3.760 1.00 0.00 C ATOM 753 C GLU B 171 -0.995 26.012 3.277 1.00 0.00 C ATOM 754 O GLU B 171 -0.667 24.904 3.657 1.00 0.00 O ATOM 755 CB GLU B 171 -0.984 27.900 4.956 1.00 0.00 C ATOM 756 CG GLU B 171 -0.069 27.880 6.183 1.00 0.00 C ATOM 757 CD GLU B 171 1.098 28.846 5.967 1.00 0.00 C ATOM 758 OE1 GLU B 171 0.945 30.010 6.298 1.00 0.00 O ATOM 759 OE2 GLU B 171 2.123 28.404 5.475 1.00 0.00 O ATOM 0 H GLU B 171 -0.928 29.072 2.834 1.00 0.00 H new ATOM 0 HA GLU B 171 0.749 26.967 4.032 1.00 0.00 H new ATOM 0 HB2 GLU B 171 -1.268 28.925 4.719 1.00 0.00 H new ATOM 0 HB3 GLU B 171 -1.904 27.355 5.168 1.00 0.00 H new ATOM 0 HG2 GLU B 171 -0.630 28.165 7.073 1.00 0.00 H new ATOM 0 HG3 GLU B 171 0.307 26.871 6.353 1.00 0.00 H new ATOM 766 N LEU B 172 -1.975 26.186 2.428 1.00 0.00 N ATOM 767 CA LEU B 172 -2.728 25.013 1.894 1.00 0.00 C ATOM 768 C LEU B 172 -1.908 24.334 0.797 1.00 0.00 C ATOM 769 O LEU B 172 -1.988 23.136 0.601 1.00 0.00 O ATOM 770 CB LEU B 172 -4.023 25.593 1.321 1.00 0.00 C ATOM 771 CG LEU B 172 -5.114 24.523 1.340 1.00 0.00 C ATOM 772 CD1 LEU B 172 -6.487 25.193 1.414 1.00 0.00 C ATOM 773 CD2 LEU B 172 -5.025 23.684 0.064 1.00 0.00 C ATOM 0 H LEU B 172 -2.287 27.093 2.081 1.00 0.00 H new ATOM 0 HA LEU B 172 -2.931 24.263 2.658 1.00 0.00 H new ATOM 0 HB2 LEU B 172 -4.337 26.458 1.906 1.00 0.00 H new ATOM 0 HB3 LEU B 172 -3.858 25.941 0.301 1.00 0.00 H new ATOM 0 HG LEU B 172 -4.977 23.880 2.210 1.00 0.00 H new ATOM 0 HD11 LEU B 172 -7.264 24.429 1.427 1.00 0.00 H new ATOM 0 HD12 LEU B 172 -6.551 25.792 2.322 1.00 0.00 H new ATOM 0 HD13 LEU B 172 -6.625 25.836 0.545 1.00 0.00 H new ATOM 0 HD21 LEU B 172 -5.803 22.920 0.076 1.00 0.00 H new ATOM 0 HD22 LEU B 172 -5.162 24.328 -0.805 1.00 0.00 H new ATOM 0 HD23 LEU B 172 -4.047 23.205 0.011 1.00 0.00 H new ATOM 785 N ILE B 173 -1.111 25.094 0.088 1.00 0.00 N ATOM 786 CA ILE B 173 -0.268 24.501 -0.993 1.00 0.00 C ATOM 787 C ILE B 173 0.870 23.707 -0.341 1.00 0.00 C ATOM 788 O ILE B 173 1.292 22.682 -0.844 1.00 0.00 O ATOM 789 CB ILE B 173 0.248 25.707 -1.811 1.00 0.00 C ATOM 790 CG1 ILE B 173 -0.870 26.216 -2.730 1.00 0.00 C ATOM 791 CG2 ILE B 173 1.446 25.304 -2.686 1.00 0.00 C ATOM 792 CD1 ILE B 173 -1.971 26.876 -1.898 1.00 0.00 C ATOM 0 H ILE B 173 -1.008 26.101 0.212 1.00 0.00 H new ATOM 0 HA ILE B 173 -0.804 23.810 -1.643 1.00 0.00 H new ATOM 0 HB ILE B 173 0.558 26.484 -1.112 1.00 0.00 H new ATOM 0 HG12 ILE B 173 -0.466 26.931 -3.446 1.00 0.00 H new ATOM 0 HG13 ILE B 173 -1.284 25.388 -3.305 1.00 0.00 H new ATOM 0 HG21 ILE B 173 1.791 26.170 -3.252 1.00 0.00 H new ATOM 0 HG22 ILE B 173 2.254 24.940 -2.051 1.00 0.00 H new ATOM 0 HG23 ILE B 173 1.144 24.516 -3.376 1.00 0.00 H new ATOM 0 HD11 ILE B 173 -2.761 27.234 -2.558 1.00 0.00 H new ATOM 0 HD12 ILE B 173 -2.385 26.149 -1.199 1.00 0.00 H new ATOM 0 HD13 ILE B 173 -1.553 27.716 -1.343 1.00 0.00 H new ATOM 804 N GLN B 174 1.349 24.170 0.785 1.00 0.00 N ATOM 805 CA GLN B 174 2.441 23.439 1.490 1.00 0.00 C ATOM 806 C GLN B 174 1.895 22.115 2.020 1.00 0.00 C ATOM 807 O GLN B 174 2.594 21.122 2.082 1.00 0.00 O ATOM 808 CB GLN B 174 2.867 24.352 2.643 1.00 0.00 C ATOM 809 CG GLN B 174 4.108 25.148 2.234 1.00 0.00 C ATOM 810 CD GLN B 174 5.366 24.389 2.660 1.00 0.00 C ATOM 811 OE1 GLN B 174 6.070 23.845 1.834 1.00 0.00 O ATOM 812 NE2 GLN B 174 5.679 24.330 3.926 1.00 0.00 N ATOM 0 H GLN B 174 1.030 25.023 1.246 1.00 0.00 H new ATOM 0 HA GLN B 174 3.284 23.211 0.838 1.00 0.00 H new ATOM 0 HB2 GLN B 174 2.055 25.032 2.901 1.00 0.00 H new ATOM 0 HB3 GLN B 174 3.080 23.758 3.532 1.00 0.00 H new ATOM 0 HG2 GLN B 174 4.113 25.305 1.155 1.00 0.00 H new ATOM 0 HG3 GLN B 174 4.090 26.134 2.699 1.00 0.00 H new ATOM 0 HE21 GLN B 174 5.087 24.787 4.620 1.00 0.00 H new ATOM 0 HE22 GLN B 174 6.515 23.827 4.222 1.00 0.00 H new ATOM 821 N ASN B 175 0.640 22.097 2.390 1.00 0.00 N ATOM 822 CA ASN B 175 0.024 20.839 2.903 1.00 0.00 C ATOM 823 C ASN B 175 -0.193 19.870 1.743 1.00 0.00 C ATOM 824 O ASN B 175 0.000 18.676 1.874 1.00 0.00 O ATOM 825 CB ASN B 175 -1.318 21.259 3.509 1.00 0.00 C ATOM 826 CG ASN B 175 -1.078 22.203 4.688 1.00 0.00 C ATOM 827 OD1 ASN B 175 -0.022 22.188 5.291 1.00 0.00 O ATOM 828 ND2 ASN B 175 -2.021 23.029 5.046 1.00 0.00 N ATOM 0 H ASN B 175 0.015 22.902 2.358 1.00 0.00 H new ATOM 0 HA ASN B 175 0.653 20.337 3.638 1.00 0.00 H new ATOM 0 HB2 ASN B 175 -1.930 21.753 2.754 1.00 0.00 H new ATOM 0 HB3 ASN B 175 -1.869 20.379 3.841 1.00 0.00 H new ATOM 0 HD21 ASN B 175 -1.873 23.662 5.832 1.00 0.00 H new ATOM 0 HD22 ASN B 175 -2.907 23.042 4.540 1.00 0.00 H new ATOM 835 N MET B 176 -0.586 20.382 0.605 1.00 0.00 N ATOM 836 CA MET B 176 -0.812 19.497 -0.580 1.00 0.00 C ATOM 837 C MET B 176 0.514 18.864 -1.010 1.00 0.00 C ATOM 838 O MET B 176 0.546 17.761 -1.521 1.00 0.00 O ATOM 839 CB MET B 176 -1.360 20.414 -1.685 1.00 0.00 C ATOM 840 CG MET B 176 -2.815 20.036 -2.006 1.00 0.00 C ATOM 841 SD MET B 176 -3.072 20.027 -3.801 1.00 0.00 S ATOM 842 CE MET B 176 -4.491 21.147 -3.833 1.00 0.00 C ATOM 0 H MET B 176 -0.760 21.374 0.444 1.00 0.00 H new ATOM 0 HA MET B 176 -1.505 18.684 -0.362 1.00 0.00 H new ATOM 0 HB2 MET B 176 -1.308 21.455 -1.365 1.00 0.00 H new ATOM 0 HB3 MET B 176 -0.746 20.325 -2.581 1.00 0.00 H new ATOM 0 HG2 MET B 176 -3.044 19.054 -1.593 1.00 0.00 H new ATOM 0 HG3 MET B 176 -3.496 20.746 -1.536 1.00 0.00 H new ATOM 0 HE1 MET B 176 -4.843 21.259 -4.858 1.00 0.00 H new ATOM 0 HE2 MET B 176 -5.291 20.738 -3.217 1.00 0.00 H new ATOM 0 HE3 MET B 176 -4.195 22.121 -3.443 1.00 0.00 H new ATOM 852 N ASP B 177 1.605 19.555 -0.799 1.00 0.00 N ATOM 853 CA ASP B 177 2.935 18.999 -1.187 1.00 0.00 C ATOM 854 C ASP B 177 3.400 17.987 -0.139 1.00 0.00 C ATOM 855 O ASP B 177 4.089 17.033 -0.446 1.00 0.00 O ATOM 856 CB ASP B 177 3.878 20.202 -1.230 1.00 0.00 C ATOM 857 CG ASP B 177 4.949 19.974 -2.298 1.00 0.00 C ATOM 858 OD1 ASP B 177 4.614 19.437 -3.341 1.00 0.00 O ATOM 859 OD2 ASP B 177 6.088 20.339 -2.054 1.00 0.00 O ATOM 0 H ASP B 177 1.631 20.482 -0.374 1.00 0.00 H new ATOM 0 HA ASP B 177 2.904 18.480 -2.145 1.00 0.00 H new ATOM 0 HB2 ASP B 177 3.317 21.110 -1.451 1.00 0.00 H new ATOM 0 HB3 ASP B 177 4.346 20.346 -0.256 1.00 0.00 H new ATOM 864 N ARG B 178 3.016 18.190 1.095 1.00 0.00 N ATOM 865 CA ARG B 178 3.421 17.241 2.175 1.00 0.00 C ATOM 866 C ARG B 178 2.543 15.989 2.117 1.00 0.00 C ATOM 867 O ARG B 178 2.971 14.905 2.468 1.00 0.00 O ATOM 868 CB ARG B 178 3.191 18.000 3.486 1.00 0.00 C ATOM 869 CG ARG B 178 4.532 18.498 4.039 1.00 0.00 C ATOM 870 CD ARG B 178 5.021 17.550 5.136 1.00 0.00 C ATOM 871 NE ARG B 178 5.503 16.339 4.414 1.00 0.00 N ATOM 872 CZ ARG B 178 6.655 15.811 4.722 1.00 0.00 C ATOM 873 NH1 ARG B 178 6.760 15.036 5.768 1.00 0.00 N ATOM 874 NH2 ARG B 178 7.705 16.056 3.986 1.00 0.00 N ATOM 0 H ARG B 178 2.439 18.973 1.402 1.00 0.00 H new ATOM 0 HA ARG B 178 4.457 16.916 2.076 1.00 0.00 H new ATOM 0 HB2 ARG B 178 2.521 18.843 3.316 1.00 0.00 H new ATOM 0 HB3 ARG B 178 2.706 17.349 4.214 1.00 0.00 H new ATOM 0 HG2 ARG B 178 5.269 18.553 3.238 1.00 0.00 H new ATOM 0 HG3 ARG B 178 4.420 19.506 4.439 1.00 0.00 H new ATOM 0 HD2 ARG B 178 5.820 18.004 5.722 1.00 0.00 H new ATOM 0 HD3 ARG B 178 4.218 17.302 5.830 1.00 0.00 H new ATOM 0 HE ARG B 178 4.932 15.923 3.679 1.00 0.00 H new ATOM 0 HH11 ARG B 178 5.941 14.843 6.344 1.00 0.00 H new ATOM 0 HH12 ARG B 178 7.661 14.623 6.008 1.00 0.00 H new ATOM 0 HH21 ARG B 178 7.625 16.661 3.169 1.00 0.00 H new ATOM 0 HH22 ARG B 178 8.605 15.642 4.228 1.00 0.00 H new ATOM 888 N VAL B 179 1.323 16.134 1.667 1.00 0.00 N ATOM 889 CA VAL B 179 0.410 14.956 1.572 1.00 0.00 C ATOM 890 C VAL B 179 0.795 14.105 0.359 1.00 0.00 C ATOM 891 O VAL B 179 0.610 12.903 0.351 1.00 0.00 O ATOM 892 CB VAL B 179 -0.996 15.544 1.405 1.00 0.00 C ATOM 893 CG1 VAL B 179 -2.019 14.411 1.284 1.00 0.00 C ATOM 894 CG2 VAL B 179 -1.341 16.405 2.625 1.00 0.00 C ATOM 0 H VAL B 179 0.919 17.019 1.361 1.00 0.00 H new ATOM 0 HA VAL B 179 0.467 14.311 2.449 1.00 0.00 H new ATOM 0 HB VAL B 179 -1.022 16.157 0.504 1.00 0.00 H new ATOM 0 HG11 VAL B 179 -3.017 14.833 1.165 1.00 0.00 H new ATOM 0 HG12 VAL B 179 -1.780 13.796 0.417 1.00 0.00 H new ATOM 0 HG13 VAL B 179 -1.989 13.796 2.184 1.00 0.00 H new ATOM 0 HG21 VAL B 179 -2.341 16.822 2.505 1.00 0.00 H new ATOM 0 HG22 VAL B 179 -1.310 15.790 3.525 1.00 0.00 H new ATOM 0 HG23 VAL B 179 -0.618 17.216 2.714 1.00 0.00 H new ATOM 904 N ASP B 180 1.331 14.722 -0.664 1.00 0.00 N ATOM 905 CA ASP B 180 1.735 13.954 -1.881 1.00 0.00 C ATOM 906 C ASP B 180 3.000 13.144 -1.590 1.00 0.00 C ATOM 907 O ASP B 180 3.209 12.083 -2.147 1.00 0.00 O ATOM 908 CB ASP B 180 2.006 15.009 -2.954 1.00 0.00 C ATOM 909 CG ASP B 180 2.022 14.345 -4.332 1.00 0.00 C ATOM 910 OD1 ASP B 180 2.468 13.213 -4.418 1.00 0.00 O ATOM 911 OD2 ASP B 180 1.589 14.980 -5.279 1.00 0.00 O ATOM 0 H ASP B 180 1.506 15.726 -0.709 1.00 0.00 H new ATOM 0 HA ASP B 180 0.967 13.248 -2.198 1.00 0.00 H new ATOM 0 HB2 ASP B 180 1.239 15.782 -2.920 1.00 0.00 H new ATOM 0 HB3 ASP B 180 2.961 15.499 -2.764 1.00 0.00 H new ATOM 916 N ARG B 181 3.840 13.639 -0.717 1.00 0.00 N ATOM 917 CA ARG B 181 5.094 12.901 -0.377 1.00 0.00 C ATOM 918 C ARG B 181 4.770 11.711 0.528 1.00 0.00 C ATOM 919 O ARG B 181 5.453 10.704 0.512 1.00 0.00 O ATOM 920 CB ARG B 181 5.971 13.914 0.360 1.00 0.00 C ATOM 921 CG ARG B 181 7.438 13.683 -0.008 1.00 0.00 C ATOM 922 CD ARG B 181 7.673 14.098 -1.463 1.00 0.00 C ATOM 923 NE ARG B 181 9.041 14.686 -1.478 1.00 0.00 N ATOM 924 CZ ARG B 181 9.374 15.537 -2.409 1.00 0.00 C ATOM 925 NH1 ARG B 181 9.888 15.110 -3.530 1.00 0.00 N ATOM 926 NH2 ARG B 181 9.192 16.815 -2.220 1.00 0.00 N ATOM 0 H ARG B 181 3.712 14.523 -0.225 1.00 0.00 H new ATOM 0 HA ARG B 181 5.593 12.505 -1.261 1.00 0.00 H new ATOM 0 HB2 ARG B 181 5.674 14.929 0.095 1.00 0.00 H new ATOM 0 HB3 ARG B 181 5.835 13.813 1.437 1.00 0.00 H new ATOM 0 HG2 ARG B 181 8.085 14.259 0.654 1.00 0.00 H new ATOM 0 HG3 ARG B 181 7.697 12.633 0.128 1.00 0.00 H new ATOM 0 HD2 ARG B 181 7.604 13.242 -2.134 1.00 0.00 H new ATOM 0 HD3 ARG B 181 6.928 14.822 -1.792 1.00 0.00 H new ATOM 0 HE ARG B 181 9.717 14.424 -0.761 1.00 0.00 H new ATOM 0 HH11 ARG B 181 10.029 14.111 -3.678 1.00 0.00 H new ATOM 0 HH12 ARG B 181 10.148 15.775 -4.258 1.00 0.00 H new ATOM 0 HH21 ARG B 181 8.789 17.149 -1.344 1.00 0.00 H new ATOM 0 HH22 ARG B 181 9.452 17.480 -2.948 1.00 0.00 H new ATOM 940 N GLU B 182 3.728 11.822 1.314 1.00 0.00 N ATOM 941 CA GLU B 182 3.348 10.699 2.223 1.00 0.00 C ATOM 942 C GLU B 182 2.674 9.585 1.421 1.00 0.00 C ATOM 943 O GLU B 182 2.865 8.414 1.689 1.00 0.00 O ATOM 944 CB GLU B 182 2.367 11.306 3.226 1.00 0.00 C ATOM 945 CG GLU B 182 2.600 10.687 4.605 1.00 0.00 C ATOM 946 CD GLU B 182 1.556 11.221 5.589 1.00 0.00 C ATOM 947 OE1 GLU B 182 0.491 10.631 5.668 1.00 0.00 O ATOM 948 OE2 GLU B 182 1.839 12.209 6.244 1.00 0.00 O ATOM 0 H GLU B 182 3.124 12.643 1.365 1.00 0.00 H new ATOM 0 HA GLU B 182 4.213 10.260 2.721 1.00 0.00 H new ATOM 0 HB2 GLU B 182 2.501 12.387 3.273 1.00 0.00 H new ATOM 0 HB3 GLU B 182 1.342 11.126 2.903 1.00 0.00 H new ATOM 0 HG2 GLU B 182 2.534 9.601 4.543 1.00 0.00 H new ATOM 0 HG3 GLU B 182 3.603 10.926 4.958 1.00 0.00 H new ATOM 955 N ILE B 183 1.895 9.946 0.435 1.00 0.00 N ATOM 956 CA ILE B 183 1.209 8.912 -0.397 1.00 0.00 C ATOM 957 C ILE B 183 2.238 8.201 -1.280 1.00 0.00 C ATOM 958 O ILE B 183 2.085 7.040 -1.611 1.00 0.00 O ATOM 959 CB ILE B 183 0.191 9.679 -1.249 1.00 0.00 C ATOM 960 CG1 ILE B 183 -0.808 10.387 -0.330 1.00 0.00 C ATOM 961 CG2 ILE B 183 -0.567 8.704 -2.152 1.00 0.00 C ATOM 962 CD1 ILE B 183 -1.571 11.451 -1.122 1.00 0.00 C ATOM 0 H ILE B 183 1.704 10.912 0.169 1.00 0.00 H new ATOM 0 HA ILE B 183 0.719 8.148 0.207 1.00 0.00 H new ATOM 0 HB ILE B 183 0.716 10.411 -1.863 1.00 0.00 H new ATOM 0 HG12 ILE B 183 -1.506 9.663 0.091 1.00 0.00 H new ATOM 0 HG13 ILE B 183 -0.284 10.849 0.507 1.00 0.00 H new ATOM 0 HG21 ILE B 183 -1.289 9.254 -2.756 1.00 0.00 H new ATOM 0 HG22 ILE B 183 0.138 8.192 -2.807 1.00 0.00 H new ATOM 0 HG23 ILE B 183 -1.090 7.971 -1.538 1.00 0.00 H new ATOM 0 HD11 ILE B 183 -2.281 11.953 -0.466 1.00 0.00 H new ATOM 0 HD12 ILE B 183 -0.867 12.181 -1.522 1.00 0.00 H new ATOM 0 HD13 ILE B 183 -2.108 10.977 -1.944 1.00 0.00 H new ATOM 974 N THR B 184 3.287 8.889 -1.655 1.00 0.00 N ATOM 975 CA THR B 184 4.334 8.255 -2.509 1.00 0.00 C ATOM 976 C THR B 184 5.138 7.251 -1.681 1.00 0.00 C ATOM 977 O THR B 184 5.485 6.184 -2.152 1.00 0.00 O ATOM 978 CB THR B 184 5.230 9.404 -2.979 1.00 0.00 C ATOM 979 OG1 THR B 184 4.441 10.367 -3.662 1.00 0.00 O ATOM 980 CG2 THR B 184 6.308 8.863 -3.919 1.00 0.00 C ATOM 0 H THR B 184 3.463 9.862 -1.406 1.00 0.00 H new ATOM 0 HA THR B 184 3.906 7.713 -3.352 1.00 0.00 H new ATOM 0 HB THR B 184 5.707 9.870 -2.117 1.00 0.00 H new ATOM 0 HG1 THR B 184 4.095 11.022 -3.020 1.00 0.00 H new ATOM 0 HG21 THR B 184 6.945 9.683 -4.252 1.00 0.00 H new ATOM 0 HG22 THR B 184 6.913 8.125 -3.392 1.00 0.00 H new ATOM 0 HG23 THR B 184 5.836 8.396 -4.783 1.00 0.00 H new ATOM 988 N MET B 185 5.427 7.584 -0.448 1.00 0.00 N ATOM 989 CA MET B 185 6.200 6.646 0.419 1.00 0.00 C ATOM 990 C MET B 185 5.310 5.471 0.819 1.00 0.00 C ATOM 991 O MET B 185 5.755 4.339 0.885 1.00 0.00 O ATOM 992 CB MET B 185 6.602 7.465 1.648 1.00 0.00 C ATOM 993 CG MET B 185 8.022 8.003 1.462 1.00 0.00 C ATOM 994 SD MET B 185 8.617 8.689 3.028 1.00 0.00 S ATOM 995 CE MET B 185 9.947 7.493 3.308 1.00 0.00 C ATOM 0 H MET B 185 5.161 8.464 -0.006 1.00 0.00 H new ATOM 0 HA MET B 185 7.074 6.235 -0.086 1.00 0.00 H new ATOM 0 HB2 MET B 185 5.905 8.291 1.792 1.00 0.00 H new ATOM 0 HB3 MET B 185 6.551 6.845 2.543 1.00 0.00 H new ATOM 0 HG2 MET B 185 8.684 7.204 1.128 1.00 0.00 H new ATOM 0 HG3 MET B 185 8.033 8.771 0.689 1.00 0.00 H new ATOM 0 HE1 MET B 185 10.460 7.731 4.240 1.00 0.00 H new ATOM 0 HE2 MET B 185 9.527 6.489 3.371 1.00 0.00 H new ATOM 0 HE3 MET B 185 10.657 7.538 2.482 1.00 0.00 H new ATOM 1005 N VAL B 186 4.053 5.731 1.071 1.00 0.00 N ATOM 1006 CA VAL B 186 3.121 4.630 1.452 1.00 0.00 C ATOM 1007 C VAL B 186 2.825 3.776 0.218 1.00 0.00 C ATOM 1008 O VAL B 186 2.669 2.574 0.308 1.00 0.00 O ATOM 1009 CB VAL B 186 1.850 5.322 1.956 1.00 0.00 C ATOM 1010 CG1 VAL B 186 0.818 4.267 2.367 1.00 0.00 C ATOM 1011 CG2 VAL B 186 2.189 6.195 3.169 1.00 0.00 C ATOM 0 H VAL B 186 3.632 6.659 1.029 1.00 0.00 H new ATOM 0 HA VAL B 186 3.536 3.972 2.216 1.00 0.00 H new ATOM 0 HB VAL B 186 1.439 5.943 1.160 1.00 0.00 H new ATOM 0 HG11 VAL B 186 -0.085 4.761 2.725 1.00 0.00 H new ATOM 0 HG12 VAL B 186 0.573 3.643 1.507 1.00 0.00 H new ATOM 0 HG13 VAL B 186 1.230 3.645 3.161 1.00 0.00 H new ATOM 0 HG21 VAL B 186 1.285 6.687 3.527 1.00 0.00 H new ATOM 0 HG22 VAL B 186 2.601 5.571 3.962 1.00 0.00 H new ATOM 0 HG23 VAL B 186 2.922 6.948 2.881 1.00 0.00 H new ATOM 1021 N GLU B 187 2.759 4.395 -0.934 1.00 0.00 N ATOM 1022 CA GLU B 187 2.485 3.627 -2.187 1.00 0.00 C ATOM 1023 C GLU B 187 3.642 2.667 -2.461 1.00 0.00 C ATOM 1024 O GLU B 187 3.452 1.583 -2.981 1.00 0.00 O ATOM 1025 CB GLU B 187 2.384 4.677 -3.297 1.00 0.00 C ATOM 1026 CG GLU B 187 2.037 3.992 -4.619 1.00 0.00 C ATOM 1027 CD GLU B 187 2.498 4.870 -5.785 1.00 0.00 C ATOM 1028 OE1 GLU B 187 2.340 6.075 -5.692 1.00 0.00 O ATOM 1029 OE2 GLU B 187 3.001 4.320 -6.751 1.00 0.00 O ATOM 0 H GLU B 187 2.883 5.399 -1.061 1.00 0.00 H new ATOM 0 HA GLU B 187 1.574 3.032 -2.118 1.00 0.00 H new ATOM 0 HB2 GLU B 187 1.621 5.414 -3.046 1.00 0.00 H new ATOM 0 HB3 GLU B 187 3.328 5.214 -3.391 1.00 0.00 H new ATOM 0 HG2 GLU B 187 2.519 3.016 -4.672 1.00 0.00 H new ATOM 0 HG3 GLU B 187 0.962 3.821 -4.681 1.00 0.00 H new ATOM 1036 N GLN B 188 4.838 3.058 -2.106 1.00 0.00 N ATOM 1037 CA GLN B 188 6.018 2.171 -2.332 1.00 0.00 C ATOM 1038 C GLN B 188 5.921 0.934 -1.434 1.00 0.00 C ATOM 1039 O GLN B 188 6.458 -0.112 -1.747 1.00 0.00 O ATOM 1040 CB GLN B 188 7.237 3.018 -1.956 1.00 0.00 C ATOM 1041 CG GLN B 188 8.473 2.509 -2.705 1.00 0.00 C ATOM 1042 CD GLN B 188 8.280 2.698 -4.211 1.00 0.00 C ATOM 1043 OE1 GLN B 188 8.508 1.789 -4.984 1.00 0.00 O ATOM 1044 NE2 GLN B 188 7.865 3.850 -4.665 1.00 0.00 N ATOM 0 H GLN B 188 5.049 3.955 -1.669 1.00 0.00 H new ATOM 0 HA GLN B 188 6.078 1.816 -3.361 1.00 0.00 H new ATOM 0 HB2 GLN B 188 7.055 4.064 -2.204 1.00 0.00 H new ATOM 0 HB3 GLN B 188 7.407 2.970 -0.880 1.00 0.00 H new ATOM 0 HG2 GLN B 188 9.359 3.049 -2.372 1.00 0.00 H new ATOM 0 HG3 GLN B 188 8.638 1.455 -2.480 1.00 0.00 H new ATOM 0 HE21 GLN B 188 7.673 4.614 -4.017 1.00 0.00 H new ATOM 0 HE22 GLN B 188 7.733 3.985 -5.667 1.00 0.00 H new ATOM 1053 N GLN B 189 5.237 1.047 -0.322 1.00 0.00 N ATOM 1054 CA GLN B 189 5.098 -0.120 0.601 1.00 0.00 C ATOM 1055 C GLN B 189 4.078 -1.119 0.047 1.00 0.00 C ATOM 1056 O GLN B 189 4.129 -2.297 0.351 1.00 0.00 O ATOM 1057 CB GLN B 189 4.597 0.465 1.925 1.00 0.00 C ATOM 1058 CG GLN B 189 5.606 1.485 2.458 1.00 0.00 C ATOM 1059 CD GLN B 189 6.921 0.779 2.802 1.00 0.00 C ATOM 1060 OE1 GLN B 189 6.951 -0.418 3.002 1.00 0.00 O ATOM 1061 NE2 GLN B 189 8.020 1.481 2.880 1.00 0.00 N ATOM 0 H GLN B 189 4.768 1.899 -0.014 1.00 0.00 H new ATOM 0 HA GLN B 189 6.040 -0.654 0.721 1.00 0.00 H new ATOM 0 HB2 GLN B 189 3.628 0.942 1.779 1.00 0.00 H new ATOM 0 HB3 GLN B 189 4.453 -0.333 2.654 1.00 0.00 H new ATOM 0 HG2 GLN B 189 5.782 2.260 1.712 1.00 0.00 H new ATOM 0 HG3 GLN B 189 5.205 1.979 3.343 1.00 0.00 H new ATOM 0 HE21 GLN B 189 7.996 2.487 2.712 1.00 0.00 H new ATOM 0 HE22 GLN B 189 8.902 1.023 3.109 1.00 0.00 H new ATOM 1070 N ILE B 190 3.154 -0.660 -0.762 1.00 0.00 N ATOM 1071 CA ILE B 190 2.129 -1.589 -1.334 1.00 0.00 C ATOM 1072 C ILE B 190 2.731 -2.340 -2.522 1.00 0.00 C ATOM 1073 O ILE B 190 2.448 -3.502 -2.744 1.00 0.00 O ATOM 1074 CB ILE B 190 0.951 -0.713 -1.800 1.00 0.00 C ATOM 1075 CG1 ILE B 190 0.541 0.302 -0.714 1.00 0.00 C ATOM 1076 CG2 ILE B 190 -0.248 -1.610 -2.119 1.00 0.00 C ATOM 1077 CD1 ILE B 190 0.195 -0.423 0.589 1.00 0.00 C ATOM 0 H ILE B 190 3.065 0.314 -1.050 1.00 0.00 H new ATOM 0 HA ILE B 190 1.799 -2.324 -0.600 1.00 0.00 H new ATOM 0 HB ILE B 190 1.266 -0.162 -2.686 1.00 0.00 H new ATOM 0 HG12 ILE B 190 1.354 1.007 -0.541 1.00 0.00 H new ATOM 0 HG13 ILE B 190 -0.317 0.882 -1.054 1.00 0.00 H new ATOM 0 HG21 ILE B 190 -1.085 -0.995 -2.449 1.00 0.00 H new ATOM 0 HG22 ILE B 190 0.022 -2.310 -2.909 1.00 0.00 H new ATOM 0 HG23 ILE B 190 -0.536 -2.164 -1.226 1.00 0.00 H new ATOM 0 HD11 ILE B 190 -0.092 0.307 1.346 1.00 0.00 H new ATOM 0 HD12 ILE B 190 -0.633 -1.110 0.414 1.00 0.00 H new ATOM 0 HD13 ILE B 190 1.064 -0.983 0.936 1.00 0.00 H new ATOM 1089 N SER B 191 3.567 -1.678 -3.280 1.00 0.00 N ATOM 1090 CA SER B 191 4.206 -2.341 -4.455 1.00 0.00 C ATOM 1091 C SER B 191 5.318 -3.278 -3.981 1.00 0.00 C ATOM 1092 O SER B 191 5.609 -4.277 -4.611 1.00 0.00 O ATOM 1093 CB SER B 191 4.785 -1.201 -5.293 1.00 0.00 C ATOM 1094 OG SER B 191 3.734 -0.567 -6.011 1.00 0.00 O ATOM 0 H SER B 191 3.835 -0.705 -3.135 1.00 0.00 H new ATOM 0 HA SER B 191 3.500 -2.943 -5.027 1.00 0.00 H new ATOM 0 HB2 SER B 191 5.288 -0.480 -4.649 1.00 0.00 H new ATOM 0 HB3 SER B 191 5.533 -1.587 -5.985 1.00 0.00 H new ATOM 0 HG SER B 191 4.101 0.166 -6.548 1.00 0.00 H new ATOM 1100 N LYS B 192 5.935 -2.963 -2.870 1.00 0.00 N ATOM 1101 CA LYS B 192 7.027 -3.834 -2.342 1.00 0.00 C ATOM 1102 C LYS B 192 6.425 -5.067 -1.667 1.00 0.00 C ATOM 1103 O LYS B 192 7.006 -6.137 -1.682 1.00 0.00 O ATOM 1104 CB LYS B 192 7.773 -2.971 -1.323 1.00 0.00 C ATOM 1105 CG LYS B 192 8.544 -1.870 -2.053 1.00 0.00 C ATOM 1106 CD LYS B 192 9.905 -2.408 -2.500 1.00 0.00 C ATOM 1107 CE LYS B 192 10.915 -2.251 -1.360 1.00 0.00 C ATOM 1108 NZ LYS B 192 11.744 -3.487 -1.410 1.00 0.00 N ATOM 0 H LYS B 192 5.729 -2.139 -2.306 1.00 0.00 H new ATOM 0 HA LYS B 192 7.692 -4.190 -3.129 1.00 0.00 H new ATOM 0 HB2 LYS B 192 7.068 -2.530 -0.619 1.00 0.00 H new ATOM 0 HB3 LYS B 192 8.460 -3.587 -0.743 1.00 0.00 H new ATOM 0 HG2 LYS B 192 7.976 -1.526 -2.917 1.00 0.00 H new ATOM 0 HG3 LYS B 192 8.679 -1.010 -1.397 1.00 0.00 H new ATOM 0 HD2 LYS B 192 9.819 -3.457 -2.782 1.00 0.00 H new ATOM 0 HD3 LYS B 192 10.249 -1.868 -3.382 1.00 0.00 H new ATOM 0 HE2 LYS B 192 11.527 -1.359 -1.494 1.00 0.00 H new ATOM 0 HE3 LYS B 192 10.413 -2.151 -0.398 1.00 0.00 H new ATOM 0 HZ1 LYS B 192 12.461 -3.455 -0.658 1.00 0.00 H new ATOM 0 HZ2 LYS B 192 11.135 -4.319 -1.273 1.00 0.00 H new ATOM 0 HZ3 LYS B 192 12.215 -3.552 -2.335 1.00 0.00 H new ATOM 1122 N LEU B 193 5.259 -4.928 -1.085 1.00 0.00 N ATOM 1123 CA LEU B 193 4.610 -6.096 -0.417 1.00 0.00 C ATOM 1124 C LEU B 193 4.027 -7.033 -1.479 1.00 0.00 C ATOM 1125 O LEU B 193 3.949 -8.232 -1.284 1.00 0.00 O ATOM 1126 CB LEU B 193 3.497 -5.502 0.457 1.00 0.00 C ATOM 1127 CG LEU B 193 3.824 -5.730 1.935 1.00 0.00 C ATOM 1128 CD1 LEU B 193 3.087 -4.696 2.788 1.00 0.00 C ATOM 1129 CD2 LEU B 193 3.380 -7.136 2.345 1.00 0.00 C ATOM 0 H LEU B 193 4.730 -4.057 -1.044 1.00 0.00 H new ATOM 0 HA LEU B 193 5.312 -6.678 0.180 1.00 0.00 H new ATOM 0 HB2 LEU B 193 3.395 -4.435 0.258 1.00 0.00 H new ATOM 0 HB3 LEU B 193 2.542 -5.965 0.210 1.00 0.00 H new ATOM 0 HG LEU B 193 4.898 -5.628 2.088 1.00 0.00 H new ATOM 0 HD11 LEU B 193 3.320 -4.859 3.840 1.00 0.00 H new ATOM 0 HD12 LEU B 193 3.402 -3.694 2.498 1.00 0.00 H new ATOM 0 HD13 LEU B 193 2.013 -4.797 2.635 1.00 0.00 H new ATOM 0 HD21 LEU B 193 3.613 -7.299 3.397 1.00 0.00 H new ATOM 0 HD22 LEU B 193 2.306 -7.238 2.191 1.00 0.00 H new ATOM 0 HD23 LEU B 193 3.905 -7.874 1.739 1.00 0.00 H new ATOM 1141 N LYS B 194 3.629 -6.493 -2.603 1.00 0.00 N ATOM 1142 CA LYS B 194 3.060 -7.347 -3.690 1.00 0.00 C ATOM 1143 C LYS B 194 4.171 -8.187 -4.323 1.00 0.00 C ATOM 1144 O LYS B 194 3.955 -9.316 -4.720 1.00 0.00 O ATOM 1145 CB LYS B 194 2.476 -6.368 -4.711 1.00 0.00 C ATOM 1146 CG LYS B 194 1.211 -6.968 -5.329 1.00 0.00 C ATOM 1147 CD LYS B 194 0.019 -6.710 -4.405 1.00 0.00 C ATOM 1148 CE LYS B 194 -0.459 -5.267 -4.582 1.00 0.00 C ATOM 1149 NZ LYS B 194 -1.433 -5.322 -5.709 1.00 0.00 N ATOM 0 H LYS B 194 3.674 -5.496 -2.815 1.00 0.00 H new ATOM 0 HA LYS B 194 2.303 -8.038 -3.321 1.00 0.00 H new ATOM 0 HB2 LYS B 194 2.243 -5.419 -4.228 1.00 0.00 H new ATOM 0 HB3 LYS B 194 3.209 -6.158 -5.490 1.00 0.00 H new ATOM 0 HG2 LYS B 194 1.028 -6.526 -6.309 1.00 0.00 H new ATOM 0 HG3 LYS B 194 1.341 -8.039 -5.482 1.00 0.00 H new ATOM 0 HD2 LYS B 194 -0.790 -7.403 -4.635 1.00 0.00 H new ATOM 0 HD3 LYS B 194 0.304 -6.886 -3.368 1.00 0.00 H new ATOM 0 HE2 LYS B 194 -0.928 -4.892 -3.672 1.00 0.00 H new ATOM 0 HE3 LYS B 194 0.373 -4.600 -4.810 1.00 0.00 H new ATOM 0 HZ1 LYS B 194 -1.806 -4.369 -5.892 1.00 0.00 H new ATOM 0 HZ2 LYS B 194 -0.957 -5.677 -6.563 1.00 0.00 H new ATOM 0 HZ3 LYS B 194 -2.217 -5.959 -5.460 1.00 0.00 H new ATOM 1163 N LYS B 195 5.359 -7.643 -4.410 1.00 0.00 N ATOM 1164 CA LYS B 195 6.494 -8.409 -5.008 1.00 0.00 C ATOM 1165 C LYS B 195 6.929 -9.518 -4.050 1.00 0.00 C ATOM 1166 O LYS B 195 7.378 -10.570 -4.466 1.00 0.00 O ATOM 1167 CB LYS B 195 7.617 -7.386 -5.198 1.00 0.00 C ATOM 1168 CG LYS B 195 8.755 -8.019 -6.001 1.00 0.00 C ATOM 1169 CD LYS B 195 8.358 -8.094 -7.477 1.00 0.00 C ATOM 1170 CE LYS B 195 9.548 -8.589 -8.302 1.00 0.00 C ATOM 1171 NZ LYS B 195 10.191 -7.352 -8.827 1.00 0.00 N ATOM 0 H LYS B 195 5.591 -6.702 -4.093 1.00 0.00 H new ATOM 0 HA LYS B 195 6.224 -8.885 -5.951 1.00 0.00 H new ATOM 0 HB2 LYS B 195 7.237 -6.506 -5.717 1.00 0.00 H new ATOM 0 HB3 LYS B 195 7.985 -7.050 -4.229 1.00 0.00 H new ATOM 0 HG2 LYS B 195 9.665 -7.430 -5.888 1.00 0.00 H new ATOM 0 HG3 LYS B 195 8.971 -9.017 -5.620 1.00 0.00 H new ATOM 0 HD2 LYS B 195 7.510 -8.767 -7.603 1.00 0.00 H new ATOM 0 HD3 LYS B 195 8.041 -7.113 -7.829 1.00 0.00 H new ATOM 0 HE2 LYS B 195 10.241 -9.165 -7.689 1.00 0.00 H new ATOM 0 HE3 LYS B 195 9.223 -9.240 -9.113 1.00 0.00 H new ATOM 0 HZ1 LYS B 195 11.017 -7.608 -9.404 1.00 0.00 H new ATOM 0 HZ2 LYS B 195 9.509 -6.828 -9.412 1.00 0.00 H new ATOM 0 HZ3 LYS B 195 10.496 -6.755 -8.032 1.00 0.00 H new ATOM 1185 N LYS B 196 6.789 -9.289 -2.768 1.00 0.00 N ATOM 1186 CA LYS B 196 7.182 -10.330 -1.771 1.00 0.00 C ATOM 1187 C LYS B 196 6.225 -11.520 -1.868 1.00 0.00 C ATOM 1188 O LYS B 196 6.602 -12.653 -1.638 1.00 0.00 O ATOM 1189 CB LYS B 196 7.061 -9.650 -0.405 1.00 0.00 C ATOM 1190 CG LYS B 196 7.494 -10.623 0.694 1.00 0.00 C ATOM 1191 CD LYS B 196 6.884 -10.190 2.028 1.00 0.00 C ATOM 1192 CE LYS B 196 5.361 -10.335 1.967 1.00 0.00 C ATOM 1193 NZ LYS B 196 4.916 -10.315 3.389 1.00 0.00 N ATOM 0 H LYS B 196 6.419 -8.426 -2.369 1.00 0.00 H new ATOM 0 HA LYS B 196 8.190 -10.709 -1.939 1.00 0.00 H new ATOM 0 HB2 LYS B 196 7.682 -8.755 -0.377 1.00 0.00 H new ATOM 0 HB3 LYS B 196 6.033 -9.330 -0.237 1.00 0.00 H new ATOM 0 HG2 LYS B 196 7.172 -11.635 0.446 1.00 0.00 H new ATOM 0 HG3 LYS B 196 8.581 -10.643 0.769 1.00 0.00 H new ATOM 0 HD2 LYS B 196 7.285 -10.799 2.838 1.00 0.00 H new ATOM 0 HD3 LYS B 196 7.153 -9.156 2.244 1.00 0.00 H new ATOM 0 HE2 LYS B 196 4.909 -9.521 1.400 1.00 0.00 H new ATOM 0 HE3 LYS B 196 5.072 -11.264 1.476 1.00 0.00 H new ATOM 0 HZ1 LYS B 196 3.920 -10.021 3.437 1.00 0.00 H new ATOM 0 HZ2 LYS B 196 5.016 -11.266 3.798 1.00 0.00 H new ATOM 0 HZ3 LYS B 196 5.501 -9.644 3.926 1.00 0.00 H new ATOM 1207 N GLN B 197 4.990 -11.264 -2.218 1.00 0.00 N ATOM 1208 CA GLN B 197 3.998 -12.374 -2.345 1.00 0.00 C ATOM 1209 C GLN B 197 4.386 -13.282 -3.512 1.00 0.00 C ATOM 1210 O GLN B 197 4.126 -14.470 -3.500 1.00 0.00 O ATOM 1211 CB GLN B 197 2.656 -11.689 -2.618 1.00 0.00 C ATOM 1212 CG GLN B 197 1.548 -12.742 -2.678 1.00 0.00 C ATOM 1213 CD GLN B 197 1.369 -13.376 -1.298 1.00 0.00 C ATOM 1214 OE1 GLN B 197 1.973 -14.388 -0.999 1.00 0.00 O ATOM 1215 NE2 GLN B 197 0.561 -12.820 -0.438 1.00 0.00 N ATOM 0 H GLN B 197 4.626 -10.333 -2.421 1.00 0.00 H new ATOM 0 HA GLN B 197 3.955 -12.996 -1.451 1.00 0.00 H new ATOM 0 HB2 GLN B 197 2.440 -10.963 -1.834 1.00 0.00 H new ATOM 0 HB3 GLN B 197 2.701 -11.139 -3.558 1.00 0.00 H new ATOM 0 HG2 GLN B 197 0.614 -12.284 -3.003 1.00 0.00 H new ATOM 0 HG3 GLN B 197 1.799 -13.508 -3.412 1.00 0.00 H new ATOM 0 HE21 GLN B 197 0.054 -11.971 -0.689 1.00 0.00 H new ATOM 0 HE22 GLN B 197 0.436 -13.234 0.486 1.00 0.00 H new ATOM 1224 N GLN B 198 5.014 -12.726 -4.518 1.00 0.00 N ATOM 1225 CA GLN B 198 5.432 -13.550 -5.693 1.00 0.00 C ATOM 1226 C GLN B 198 6.437 -14.612 -5.249 1.00 0.00 C ATOM 1227 O GLN B 198 6.384 -15.749 -5.681 1.00 0.00 O ATOM 1228 CB GLN B 198 6.088 -12.565 -6.666 1.00 0.00 C ATOM 1229 CG GLN B 198 5.996 -13.116 -8.091 1.00 0.00 C ATOM 1230 CD GLN B 198 5.774 -11.962 -9.071 1.00 0.00 C ATOM 1231 OE1 GLN B 198 6.476 -11.841 -10.055 1.00 0.00 O ATOM 1232 NE2 GLN B 198 4.821 -11.102 -8.840 1.00 0.00 N ATOM 0 H GLN B 198 5.255 -11.737 -4.576 1.00 0.00 H new ATOM 0 HA GLN B 198 4.592 -14.070 -6.153 1.00 0.00 H new ATOM 0 HB2 GLN B 198 5.593 -11.596 -6.607 1.00 0.00 H new ATOM 0 HB3 GLN B 198 7.131 -12.408 -6.392 1.00 0.00 H new ATOM 0 HG2 GLN B 198 6.911 -13.652 -8.345 1.00 0.00 H new ATOM 0 HG3 GLN B 198 5.177 -13.831 -8.163 1.00 0.00 H new ATOM 0 HE21 GLN B 198 4.232 -11.204 -8.014 1.00 0.00 H new ATOM 0 HE22 GLN B 198 4.665 -10.328 -9.486 1.00 0.00 H new ATOM 1241 N GLN B 199 7.345 -14.245 -4.384 1.00 0.00 N ATOM 1242 CA GLN B 199 8.360 -15.229 -3.895 1.00 0.00 C ATOM 1243 C GLN B 199 7.660 -16.371 -3.157 1.00 0.00 C ATOM 1244 O GLN B 199 8.023 -17.525 -3.292 1.00 0.00 O ATOM 1245 CB GLN B 199 9.259 -14.443 -2.938 1.00 0.00 C ATOM 1246 CG GLN B 199 10.161 -13.503 -3.741 1.00 0.00 C ATOM 1247 CD GLN B 199 11.163 -14.326 -4.552 1.00 0.00 C ATOM 1248 OE1 GLN B 199 12.231 -14.649 -4.072 1.00 0.00 O ATOM 1249 NE2 GLN B 199 10.862 -14.680 -5.771 1.00 0.00 N ATOM 0 H GLN B 199 7.429 -13.306 -3.994 1.00 0.00 H new ATOM 0 HA GLN B 199 8.933 -15.672 -4.710 1.00 0.00 H new ATOM 0 HB2 GLN B 199 8.650 -13.870 -2.238 1.00 0.00 H new ATOM 0 HB3 GLN B 199 9.865 -15.129 -2.346 1.00 0.00 H new ATOM 0 HG2 GLN B 199 9.559 -12.885 -4.407 1.00 0.00 H new ATOM 0 HG3 GLN B 199 10.689 -12.827 -3.069 1.00 0.00 H new ATOM 0 HE21 GLN B 199 9.965 -14.409 -6.174 1.00 0.00 H new ATOM 0 HE22 GLN B 199 11.524 -15.228 -6.321 1.00 0.00 H new ATOM 1258 N LEU B 200 6.651 -16.056 -2.385 1.00 0.00 N ATOM 1259 CA LEU B 200 5.910 -17.118 -1.641 1.00 0.00 C ATOM 1260 C LEU B 200 5.036 -17.914 -2.612 1.00 0.00 C ATOM 1261 O LEU B 200 4.833 -19.102 -2.447 1.00 0.00 O ATOM 1262 CB LEU B 200 5.043 -16.370 -0.625 1.00 0.00 C ATOM 1263 CG LEU B 200 4.710 -17.295 0.546 1.00 0.00 C ATOM 1264 CD1 LEU B 200 5.935 -17.431 1.452 1.00 0.00 C ATOM 1265 CD2 LEU B 200 3.547 -16.705 1.345 1.00 0.00 C ATOM 0 H LEU B 200 6.308 -15.107 -2.238 1.00 0.00 H new ATOM 0 HA LEU B 200 6.579 -17.826 -1.152 1.00 0.00 H new ATOM 0 HB2 LEU B 200 5.569 -15.486 -0.265 1.00 0.00 H new ATOM 0 HB3 LEU B 200 4.125 -16.024 -1.100 1.00 0.00 H new ATOM 0 HG LEU B 200 4.429 -18.277 0.166 1.00 0.00 H new ATOM 0 HD11 LEU B 200 5.698 -18.090 2.287 1.00 0.00 H new ATOM 0 HD12 LEU B 200 6.764 -17.850 0.882 1.00 0.00 H new ATOM 0 HD13 LEU B 200 6.216 -16.449 1.833 1.00 0.00 H new ATOM 0 HD21 LEU B 200 3.308 -17.363 2.180 1.00 0.00 H new ATOM 0 HD22 LEU B 200 3.828 -15.723 1.726 1.00 0.00 H new ATOM 0 HD23 LEU B 200 2.674 -16.607 0.699 1.00 0.00 H new ATOM 1277 N GLU B 201 4.528 -17.264 -3.627 1.00 0.00 N ATOM 1278 CA GLU B 201 3.672 -17.973 -4.625 1.00 0.00 C ATOM 1279 C GLU B 201 4.551 -18.799 -5.566 1.00 0.00 C ATOM 1280 O GLU B 201 4.141 -19.828 -6.071 1.00 0.00 O ATOM 1281 CB GLU B 201 2.942 -16.862 -5.396 1.00 0.00 C ATOM 1282 CG GLU B 201 1.429 -17.077 -5.307 1.00 0.00 C ATOM 1283 CD GLU B 201 0.967 -17.946 -6.479 1.00 0.00 C ATOM 1284 OE1 GLU B 201 1.703 -18.846 -6.848 1.00 0.00 O ATOM 1285 OE2 GLU B 201 -0.114 -17.697 -6.986 1.00 0.00 O ATOM 0 H GLU B 201 4.669 -16.270 -3.808 1.00 0.00 H new ATOM 0 HA GLU B 201 2.969 -18.661 -4.156 1.00 0.00 H new ATOM 0 HB2 GLU B 201 3.205 -15.888 -4.984 1.00 0.00 H new ATOM 0 HB3 GLU B 201 3.258 -16.863 -6.439 1.00 0.00 H new ATOM 0 HG2 GLU B 201 1.174 -17.557 -4.362 1.00 0.00 H new ATOM 0 HG3 GLU B 201 0.913 -16.117 -5.326 1.00 0.00 H new