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 -130:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.145 X(o=-0.14,f=-0.14) 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= -1.16 K(o=-1.2,f=-0.28) USER MOD Single : A 83 LYS NZ :NH3+ -123:sc= -0.0308 (180deg=-0.329) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 85 GLN : amide:sc= -0.0694 X(o=-0.069,f=-0.44) USER MOD Single : A 89 GLN : amide:sc= -0.195 X(o=-0.2,f=-0.58) USER MOD Single : B 168 SER OG : rot -42:sc= 0.535 USER MOD Single : B 169 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.0164) USER MOD Single : B 174 GLN : amide:sc= -0.276 X(o=-0.28,f=-0.28) USER MOD Single : B 175 ASN : amide:sc= -0.0408 K(o=-0.041,f=-1.4!) USER MOD Single : B 176 MET CE :methyl 162:sc= -4.43! (180deg=-5.27!) USER MOD Single : B 184 THR OG1 : rot 105:sc= 1.24 USER MOD Single : B 185 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 188 GLN : amide:sc= -0.478 X(o=-0.48,f=0) USER MOD Single : B 189 GLN : amide:sc= -0.388 X(o=-0.39,f=0) USER MOD Single : B 191 SER OG : rot 86:sc= 0.0608 USER MOD Single : B 192 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.00576) 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+ 162:sc= -0.628 (180deg=-1.12) USER MOD Single : B 197 GLN : amide:sc= -3.45 K(o=-3.5,f=-5.1!) USER MOD Single : B 198 GLN : amide:sc= -0.252 X(o=-0.25,f=-0.068) USER MOD Single : B 199 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 161 N LEU A 62 -0.187 -18.482 1.897 1.00 0.00 N ATOM 162 CA LEU A 62 -0.395 -17.267 1.050 1.00 0.00 C ATOM 163 C LEU A 62 -1.595 -16.466 1.562 1.00 0.00 C ATOM 164 O LEU A 62 -1.661 -15.261 1.398 1.00 0.00 O ATOM 165 CB LEU A 62 -0.668 -17.799 -0.359 1.00 0.00 C ATOM 166 CG LEU A 62 -0.812 -16.625 -1.330 1.00 0.00 C ATOM 167 CD1 LEU A 62 0.535 -16.346 -1.998 1.00 0.00 C ATOM 168 CD2 LEU A 62 -1.848 -16.973 -2.401 1.00 0.00 C ATOM 0 HA LEU A 62 0.467 -16.600 1.071 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.146 -18.450 -0.677 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.577 -18.401 -0.362 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.137 -15.740 -0.783 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.432 -15.510 -2.690 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.274 -16.098 -1.236 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.860 -17.231 -2.545 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.951 -16.137 -3.093 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.523 -17.858 -2.947 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.809 -17.172 -1.927 1.00 0.00 H new ATOM 180 N GLU A 63 -2.541 -17.126 2.180 1.00 0.00 N ATOM 181 CA GLU A 63 -3.741 -16.407 2.706 1.00 0.00 C ATOM 182 C GLU A 63 -3.352 -15.543 3.907 1.00 0.00 C ATOM 183 O GLU A 63 -3.944 -14.509 4.155 1.00 0.00 O ATOM 184 CB GLU A 63 -4.718 -17.507 3.129 1.00 0.00 C ATOM 185 CG GLU A 63 -6.087 -16.891 3.424 1.00 0.00 C ATOM 186 CD GLU A 63 -6.732 -16.429 2.116 1.00 0.00 C ATOM 187 OE1 GLU A 63 -6.578 -17.121 1.125 1.00 0.00 O ATOM 188 OE2 GLU A 63 -7.370 -15.388 2.129 1.00 0.00 O ATOM 0 H GLU A 63 -2.534 -18.133 2.343 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.180 -15.742 1.963 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.806 -18.253 2.339 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.341 -18.022 4.013 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.727 -17.621 3.919 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.979 -16.048 4.106 1.00 0.00 H new ATOM 195 N GLU A 64 -2.358 -15.959 4.648 1.00 0.00 N ATOM 196 CA GLU A 64 -1.919 -15.163 5.834 1.00 0.00 C ATOM 197 C GLU A 64 -1.171 -13.914 5.372 1.00 0.00 C ATOM 198 O GLU A 64 -1.378 -12.830 5.884 1.00 0.00 O ATOM 199 CB GLU A 64 -0.990 -16.088 6.622 1.00 0.00 C ATOM 200 CG GLU A 64 -1.823 -17.015 7.509 1.00 0.00 C ATOM 201 CD GLU A 64 -2.003 -16.375 8.888 1.00 0.00 C ATOM 202 OE1 GLU A 64 -1.009 -16.206 9.576 1.00 0.00 O ATOM 203 OE2 GLU A 64 -3.131 -16.064 9.231 1.00 0.00 O ATOM 0 H GLU A 64 -1.830 -16.816 4.483 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.760 -14.828 6.442 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.378 -16.676 5.937 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.307 -15.499 7.234 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.795 -17.197 7.051 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.330 -17.982 7.607 1.00 0.00 H new ATOM 210 N THR A 65 -0.311 -14.061 4.401 1.00 0.00 N ATOM 211 CA THR A 65 0.452 -12.884 3.886 1.00 0.00 C ATOM 212 C THR A 65 -0.505 -11.919 3.186 1.00 0.00 C ATOM 213 O THR A 65 -0.299 -10.720 3.182 1.00 0.00 O ATOM 214 CB THR A 65 1.463 -13.458 2.890 1.00 0.00 C ATOM 215 OG1 THR A 65 2.267 -14.431 3.541 1.00 0.00 O ATOM 216 CG2 THR A 65 2.350 -12.334 2.355 1.00 0.00 C ATOM 0 H THR A 65 -0.102 -14.947 3.940 1.00 0.00 H new ATOM 0 HA THR A 65 0.949 -12.330 4.683 1.00 0.00 H new ATOM 0 HB THR A 65 0.931 -13.923 2.060 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.213 -14.245 3.364 1.00 0.00 H new ATOM 0 HG21 THR A 65 3.069 -12.744 1.646 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.731 -11.589 1.854 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.883 -11.866 3.183 1.00 0.00 H new ATOM 224 N LYS A 66 -1.557 -12.437 2.603 1.00 0.00 N ATOM 225 CA LYS A 66 -2.543 -11.556 1.908 1.00 0.00 C ATOM 226 C LYS A 66 -3.276 -10.686 2.931 1.00 0.00 C ATOM 227 O LYS A 66 -3.720 -9.595 2.625 1.00 0.00 O ATOM 228 CB LYS A 66 -3.521 -12.509 1.215 1.00 0.00 C ATOM 229 CG LYS A 66 -3.102 -12.700 -0.244 1.00 0.00 C ATOM 230 CD LYS A 66 -3.647 -11.547 -1.088 1.00 0.00 C ATOM 231 CE LYS A 66 -3.809 -12.006 -2.539 1.00 0.00 C ATOM 232 NZ LYS A 66 -4.975 -11.238 -3.057 1.00 0.00 N ATOM 0 H LYS A 66 -1.775 -13.433 2.579 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.065 -10.884 1.196 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.534 -13.470 1.729 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.533 -12.107 1.264 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.015 -12.737 -0.319 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.480 -13.650 -0.620 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.606 -11.215 -0.692 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.969 -10.695 -1.039 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.911 -11.800 -3.121 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.987 -13.080 -2.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.149 -11.498 -4.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.817 -11.459 -2.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.774 -10.219 -2.997 1.00 0.00 H new ATOM 246 N GLU A 67 -3.403 -11.161 4.146 1.00 0.00 N ATOM 247 CA GLU A 67 -4.105 -10.364 5.197 1.00 0.00 C ATOM 248 C GLU A 67 -3.311 -9.097 5.514 1.00 0.00 C ATOM 249 O GLU A 67 -3.871 -8.031 5.691 1.00 0.00 O ATOM 250 CB GLU A 67 -4.175 -11.277 6.423 1.00 0.00 C ATOM 251 CG GLU A 67 -5.511 -11.069 7.140 1.00 0.00 C ATOM 252 CD GLU A 67 -6.603 -11.870 6.427 1.00 0.00 C ATOM 253 OE1 GLU A 67 -6.393 -13.050 6.201 1.00 0.00 O ATOM 254 OE2 GLU A 67 -7.631 -11.289 6.120 1.00 0.00 O ATOM 0 H GLU A 67 -3.050 -12.067 4.454 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.097 -10.047 4.876 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.071 -12.319 6.120 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.349 -11.058 7.100 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.431 -11.387 8.179 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.770 -10.010 7.150 1.00 0.00 H new ATOM 261 N GLN A 68 -2.010 -9.207 5.581 1.00 0.00 N ATOM 262 CA GLN A 68 -1.170 -8.007 5.879 1.00 0.00 C ATOM 263 C GLN A 68 -1.122 -7.099 4.653 1.00 0.00 C ATOM 264 O GLN A 68 -1.136 -5.886 4.765 1.00 0.00 O ATOM 265 CB GLN A 68 0.222 -8.557 6.204 1.00 0.00 C ATOM 266 CG GLN A 68 1.160 -7.402 6.565 1.00 0.00 C ATOM 267 CD GLN A 68 0.683 -6.737 7.858 1.00 0.00 C ATOM 268 OE1 GLN A 68 0.763 -7.321 8.921 1.00 0.00 O ATOM 269 NE2 GLN A 68 0.187 -5.531 7.811 1.00 0.00 N ATOM 0 H GLN A 68 -1.492 -10.075 5.443 1.00 0.00 H new ATOM 0 HA GLN A 68 -1.565 -7.415 6.704 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.161 -9.262 7.033 1.00 0.00 H new ATOM 0 HB3 GLN A 68 0.616 -9.105 5.348 1.00 0.00 H new ATOM 0 HG2 GLN A 68 2.178 -7.772 6.689 1.00 0.00 H new ATOM 0 HG3 GLN A 68 1.182 -6.672 5.756 1.00 0.00 H new ATOM 0 HE21 GLN A 68 0.120 -5.041 6.919 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -0.134 -5.078 8.667 1.00 0.00 H new ATOM 278 N ILE A 69 -1.080 -7.680 3.484 1.00 0.00 N ATOM 279 CA ILE A 69 -1.048 -6.862 2.235 1.00 0.00 C ATOM 280 C ILE A 69 -2.428 -6.243 1.997 1.00 0.00 C ATOM 281 O ILE A 69 -2.549 -5.189 1.399 1.00 0.00 O ATOM 282 CB ILE A 69 -0.689 -7.842 1.112 1.00 0.00 C ATOM 283 CG1 ILE A 69 0.662 -8.498 1.415 1.00 0.00 C ATOM 284 CG2 ILE A 69 -0.595 -7.090 -0.217 1.00 0.00 C ATOM 285 CD1 ILE A 69 0.871 -9.691 0.480 1.00 0.00 C ATOM 0 H ILE A 69 -1.066 -8.690 3.339 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.329 -6.045 2.289 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.462 -8.608 1.045 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.467 -7.775 1.285 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.694 -8.827 2.454 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.340 -7.789 -1.013 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.554 -6.622 -0.439 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.176 -6.323 -0.147 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.832 -10.158 0.695 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.072 -10.417 0.633 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.858 -9.349 -0.555 1.00 0.00 H new ATOM 297 N LEU A 70 -3.467 -6.889 2.468 1.00 0.00 N ATOM 298 CA LEU A 70 -4.844 -6.340 2.280 1.00 0.00 C ATOM 299 C LEU A 70 -5.029 -5.096 3.153 1.00 0.00 C ATOM 300 O LEU A 70 -5.702 -4.157 2.773 1.00 0.00 O ATOM 301 CB LEU A 70 -5.790 -7.456 2.728 1.00 0.00 C ATOM 302 CG LEU A 70 -7.237 -7.032 2.474 1.00 0.00 C ATOM 303 CD1 LEU A 70 -7.643 -7.428 1.053 1.00 0.00 C ATOM 304 CD2 LEU A 70 -8.156 -7.731 3.478 1.00 0.00 C ATOM 0 H LEU A 70 -3.420 -7.773 2.975 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.034 -6.044 1.249 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.569 -8.375 2.185 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.643 -7.669 3.787 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.324 -5.952 2.590 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.674 -7.126 0.872 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.988 -6.932 0.336 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.556 -8.508 0.937 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.188 -7.429 3.298 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -8.068 -8.811 3.361 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.868 -7.451 4.491 1.00 0.00 H new ATOM 316 N LYS A 71 -4.429 -5.083 4.319 1.00 0.00 N ATOM 317 CA LYS A 71 -4.563 -3.897 5.219 1.00 0.00 C ATOM 318 C LYS A 71 -3.953 -2.667 4.547 1.00 0.00 C ATOM 319 O LYS A 71 -4.449 -1.564 4.682 1.00 0.00 O ATOM 320 CB LYS A 71 -3.784 -4.256 6.486 1.00 0.00 C ATOM 321 CG LYS A 71 -4.559 -5.310 7.281 1.00 0.00 C ATOM 322 CD LYS A 71 -5.459 -4.615 8.305 1.00 0.00 C ATOM 323 CE LYS A 71 -5.716 -5.558 9.482 1.00 0.00 C ATOM 324 NZ LYS A 71 -5.665 -4.688 10.690 1.00 0.00 N ATOM 0 H LYS A 71 -3.854 -5.842 4.685 1.00 0.00 H new ATOM 0 HA LYS A 71 -5.604 -3.664 5.442 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.797 -4.637 6.223 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.630 -3.366 7.096 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.160 -5.920 6.607 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.866 -5.982 7.787 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.987 -3.698 8.657 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.403 -4.330 7.841 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.685 -6.049 9.390 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.963 -6.344 9.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.833 -5.264 11.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.729 -4.239 10.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.398 -3.953 10.620 1.00 0.00 H new ATOM 338 N LEU A 72 -2.883 -2.853 3.818 1.00 0.00 N ATOM 339 CA LEU A 72 -2.234 -1.698 3.124 1.00 0.00 C ATOM 340 C LEU A 72 -3.197 -1.099 2.097 1.00 0.00 C ATOM 341 O LEU A 72 -3.142 0.079 1.796 1.00 0.00 O ATOM 342 CB LEU A 72 -1.003 -2.283 2.428 1.00 0.00 C ATOM 343 CG LEU A 72 0.174 -2.298 3.405 1.00 0.00 C ATOM 344 CD1 LEU A 72 1.307 -3.149 2.827 1.00 0.00 C ATOM 345 CD2 LEU A 72 0.673 -0.868 3.624 1.00 0.00 C ATOM 0 H LEU A 72 -2.430 -3.755 3.673 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.963 -0.900 3.816 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.214 -3.294 2.081 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.752 -1.690 1.549 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.150 -2.721 4.356 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.146 -3.160 3.523 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.953 -4.168 2.670 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.631 -2.726 1.876 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.512 -0.878 4.320 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.996 -0.446 2.673 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.133 -0.260 4.036 1.00 0.00 H new ATOM 357 N GLU A 73 -4.081 -1.904 1.560 1.00 0.00 N ATOM 358 CA GLU A 73 -5.057 -1.385 0.551 1.00 0.00 C ATOM 359 C GLU A 73 -5.960 -0.332 1.191 1.00 0.00 C ATOM 360 O GLU A 73 -6.258 0.686 0.596 1.00 0.00 O ATOM 361 CB GLU A 73 -5.874 -2.602 0.113 1.00 0.00 C ATOM 362 CG GLU A 73 -6.186 -2.499 -1.381 1.00 0.00 C ATOM 363 CD GLU A 73 -4.983 -2.988 -2.189 1.00 0.00 C ATOM 364 OE1 GLU A 73 -3.867 -2.734 -1.767 1.00 0.00 O ATOM 365 OE2 GLU A 73 -5.198 -3.610 -3.216 1.00 0.00 O ATOM 0 H GLU A 73 -4.169 -2.897 1.776 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.561 -0.910 -0.295 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -5.319 -3.518 0.317 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.800 -2.656 0.685 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -7.066 -3.096 -1.621 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.419 -1.467 -1.644 1.00 0.00 H new ATOM 372 N GLU A 74 -6.390 -0.572 2.402 1.00 0.00 N ATOM 373 CA GLU A 74 -7.272 0.415 3.095 1.00 0.00 C ATOM 374 C GLU A 74 -6.453 1.640 3.503 1.00 0.00 C ATOM 375 O GLU A 74 -6.948 2.750 3.528 1.00 0.00 O ATOM 376 CB GLU A 74 -7.804 -0.313 4.332 1.00 0.00 C ATOM 377 CG GLU A 74 -9.231 -0.801 4.069 1.00 0.00 C ATOM 378 CD GLU A 74 -9.192 -2.014 3.137 1.00 0.00 C ATOM 379 OE1 GLU A 74 -8.691 -1.874 2.034 1.00 0.00 O ATOM 380 OE2 GLU A 74 -9.663 -3.063 3.544 1.00 0.00 O ATOM 0 H GLU A 74 -6.169 -1.409 2.942 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.084 0.764 2.457 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.159 -1.158 4.574 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.791 0.355 5.193 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.715 -1.067 5.009 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.823 -0.003 3.620 1.00 0.00 H new ATOM 387 N LYS A 75 -5.199 1.439 3.815 1.00 0.00 N ATOM 388 CA LYS A 75 -4.330 2.584 4.216 1.00 0.00 C ATOM 389 C LYS A 75 -3.912 3.372 2.973 1.00 0.00 C ATOM 390 O LYS A 75 -3.770 4.580 3.012 1.00 0.00 O ATOM 391 CB LYS A 75 -3.111 1.948 4.888 1.00 0.00 C ATOM 392 CG LYS A 75 -2.689 2.797 6.088 1.00 0.00 C ATOM 393 CD LYS A 75 -1.301 2.359 6.561 1.00 0.00 C ATOM 394 CE LYS A 75 -0.766 3.367 7.579 1.00 0.00 C ATOM 395 NZ LYS A 75 0.122 2.574 8.475 1.00 0.00 N ATOM 0 H LYS A 75 -4.739 0.529 3.809 1.00 0.00 H new ATOM 0 HA LYS A 75 -4.838 3.279 4.885 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.348 0.935 5.212 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.289 1.871 4.176 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.675 3.852 5.814 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.412 2.687 6.897 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.355 1.367 7.010 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.621 2.289 5.712 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.216 4.170 7.088 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.578 3.832 8.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.528 3.197 9.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.430 1.821 8.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.889 2.149 7.916 1.00 0.00 H new ATOM 409 N LEU A 76 -3.725 2.693 1.868 1.00 0.00 N ATOM 410 CA LEU A 76 -3.328 3.397 0.613 1.00 0.00 C ATOM 411 C LEU A 76 -4.540 4.119 0.021 1.00 0.00 C ATOM 412 O LEU A 76 -4.408 5.143 -0.625 1.00 0.00 O ATOM 413 CB LEU A 76 -2.840 2.298 -0.333 1.00 0.00 C ATOM 414 CG LEU A 76 -2.266 2.933 -1.601 1.00 0.00 C ATOM 415 CD1 LEU A 76 -1.000 3.718 -1.252 1.00 0.00 C ATOM 416 CD2 LEU A 76 -1.922 1.835 -2.610 1.00 0.00 C ATOM 0 H LEU A 76 -3.830 1.682 1.783 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.556 4.147 0.785 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.080 1.691 0.159 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.664 1.631 -0.588 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.004 3.608 -2.034 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.592 4.170 -2.156 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.244 4.500 -0.533 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.262 3.044 -0.818 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.513 2.287 -3.514 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.184 1.160 -2.176 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.823 1.275 -2.860 1.00 0.00 H new ATOM 428 N LEU A 77 -5.718 3.595 0.247 1.00 0.00 N ATOM 429 CA LEU A 77 -6.948 4.248 -0.291 1.00 0.00 C ATOM 430 C LEU A 77 -7.291 5.474 0.555 1.00 0.00 C ATOM 431 O LEU A 77 -7.769 6.474 0.053 1.00 0.00 O ATOM 432 CB LEU A 77 -8.048 3.191 -0.181 1.00 0.00 C ATOM 433 CG LEU A 77 -9.138 3.479 -1.214 1.00 0.00 C ATOM 434 CD1 LEU A 77 -9.786 2.164 -1.654 1.00 0.00 C ATOM 435 CD2 LEU A 77 -10.202 4.387 -0.593 1.00 0.00 C ATOM 0 H LEU A 77 -5.880 2.742 0.782 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.823 4.588 -1.319 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.630 2.198 -0.345 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.473 3.196 0.823 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.696 3.974 -2.079 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -10.563 2.370 -2.390 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.030 1.516 -2.096 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -10.228 1.669 -0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -10.979 4.593 -1.329 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.643 3.892 0.272 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.742 5.324 -0.279 1.00 0.00 H new ATOM 447 N ALA A 78 -7.039 5.403 1.837 1.00 0.00 N ATOM 448 CA ALA A 78 -7.336 6.565 2.728 1.00 0.00 C ATOM 449 C ALA A 78 -6.342 7.694 2.455 1.00 0.00 C ATOM 450 O ALA A 78 -6.654 8.861 2.611 1.00 0.00 O ATOM 451 CB ALA A 78 -7.169 6.036 4.154 1.00 0.00 C ATOM 0 H ALA A 78 -6.640 4.590 2.306 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.336 6.967 2.564 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.372 6.837 4.865 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.867 5.216 4.322 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -6.149 5.678 4.292 1.00 0.00 H new ATOM 457 N LEU A 79 -5.148 7.352 2.042 1.00 0.00 N ATOM 458 CA LEU A 79 -4.122 8.399 1.748 1.00 0.00 C ATOM 459 C LEU A 79 -4.494 9.140 0.461 1.00 0.00 C ATOM 460 O LEU A 79 -4.356 10.346 0.369 1.00 0.00 O ATOM 461 CB LEU A 79 -2.796 7.637 1.576 1.00 0.00 C ATOM 462 CG LEU A 79 -1.798 8.040 2.674 1.00 0.00 C ATOM 463 CD1 LEU A 79 -1.490 9.539 2.580 1.00 0.00 C ATOM 464 CD2 LEU A 79 -2.385 7.720 4.054 1.00 0.00 C ATOM 0 H LEU A 79 -4.839 6.391 1.895 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.051 9.145 2.540 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.979 6.563 1.618 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.372 7.850 0.595 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.875 7.477 2.536 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.782 9.815 3.362 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.058 9.761 1.604 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.411 10.108 2.707 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.673 8.008 4.828 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.314 8.273 4.191 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.586 6.651 4.125 1.00 0.00 H new ATOM 476 N GLN A 80 -4.972 8.427 -0.528 1.00 0.00 N ATOM 477 CA GLN A 80 -5.364 9.086 -1.810 1.00 0.00 C ATOM 478 C GLN A 80 -6.613 9.942 -1.589 1.00 0.00 C ATOM 479 O GLN A 80 -6.807 10.952 -2.239 1.00 0.00 O ATOM 480 CB GLN A 80 -5.660 7.943 -2.782 1.00 0.00 C ATOM 481 CG GLN A 80 -5.378 8.402 -4.214 1.00 0.00 C ATOM 482 CD GLN A 80 -3.955 8.002 -4.608 1.00 0.00 C ATOM 483 OE1 GLN A 80 -3.738 6.928 -5.137 1.00 0.00 O ATOM 484 NE2 GLN A 80 -2.970 8.823 -4.374 1.00 0.00 N ATOM 0 H GLN A 80 -5.108 7.416 -0.502 1.00 0.00 H new ATOM 0 HA GLN A 80 -4.583 9.743 -2.193 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -5.045 7.077 -2.539 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -6.700 7.632 -2.687 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -6.096 7.952 -4.899 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -5.498 9.483 -4.291 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -3.151 9.724 -3.931 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -2.018 8.565 -4.634 1.00 0.00 H new ATOM 493 N GLU A 81 -7.453 9.544 -0.669 1.00 0.00 N ATOM 494 CA GLU A 81 -8.692 10.332 -0.389 1.00 0.00 C ATOM 495 C GLU A 81 -8.321 11.665 0.264 1.00 0.00 C ATOM 496 O GLU A 81 -9.012 12.655 0.109 1.00 0.00 O ATOM 497 CB GLU A 81 -9.511 9.471 0.576 1.00 0.00 C ATOM 498 CG GLU A 81 -10.551 8.669 -0.210 1.00 0.00 C ATOM 499 CD GLU A 81 -11.721 8.313 0.708 1.00 0.00 C ATOM 500 OE1 GLU A 81 -12.536 9.185 0.961 1.00 0.00 O ATOM 501 OE2 GLU A 81 -11.783 7.175 1.142 1.00 0.00 O ATOM 0 H GLU A 81 -7.335 8.707 -0.099 1.00 0.00 H new ATOM 0 HA GLU A 81 -9.251 10.560 -1.296 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -8.854 8.796 1.124 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -10.005 10.103 1.314 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -10.906 9.250 -1.061 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -10.099 7.761 -0.610 1.00 0.00 H new ATOM 508 N GLU A 82 -7.233 11.694 0.991 1.00 0.00 N ATOM 509 CA GLU A 82 -6.806 12.963 1.658 1.00 0.00 C ATOM 510 C GLU A 82 -6.427 14.004 0.600 1.00 0.00 C ATOM 511 O GLU A 82 -6.765 15.167 0.718 1.00 0.00 O ATOM 512 CB GLU A 82 -5.586 12.587 2.510 1.00 0.00 C ATOM 513 CG GLU A 82 -5.966 12.607 3.994 1.00 0.00 C ATOM 514 CD GLU A 82 -4.894 11.878 4.806 1.00 0.00 C ATOM 515 OE1 GLU A 82 -4.662 10.712 4.534 1.00 0.00 O ATOM 516 OE2 GLU A 82 -4.321 12.499 5.687 1.00 0.00 O ATOM 0 H GLU A 82 -6.621 10.894 1.152 1.00 0.00 H new ATOM 0 HA GLU A 82 -7.599 13.397 2.267 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.226 11.597 2.230 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.771 13.287 2.324 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.063 13.636 4.341 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.935 12.129 4.139 1.00 0.00 H new ATOM 523 N LYS A 83 -5.734 13.592 -0.433 1.00 0.00 N ATOM 524 CA LYS A 83 -5.341 14.560 -1.504 1.00 0.00 C ATOM 525 C LYS A 83 -6.586 15.030 -2.260 1.00 0.00 C ATOM 526 O LYS A 83 -6.637 16.138 -2.759 1.00 0.00 O ATOM 527 CB LYS A 83 -4.409 13.781 -2.435 1.00 0.00 C ATOM 528 CG LYS A 83 -3.889 14.710 -3.534 1.00 0.00 C ATOM 529 CD LYS A 83 -2.527 15.275 -3.125 1.00 0.00 C ATOM 530 CE LYS A 83 -1.867 15.944 -4.333 1.00 0.00 C ATOM 531 NZ LYS A 83 -1.311 14.822 -5.137 1.00 0.00 N ATOM 0 H LYS A 83 -5.424 12.631 -0.581 1.00 0.00 H new ATOM 0 HA LYS A 83 -4.853 15.447 -1.100 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.574 13.368 -1.869 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -4.941 12.939 -2.878 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -3.801 14.165 -4.474 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -4.596 15.523 -3.702 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -2.649 15.997 -2.318 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -1.890 14.477 -2.745 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -2.590 16.522 -4.909 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -1.082 16.634 -4.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.289 14.962 -5.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -1.477 13.923 -4.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -1.779 14.795 -6.066 1.00 0.00 H new ATOM 545 N HIS A 84 -7.590 14.194 -2.338 1.00 0.00 N ATOM 546 CA HIS A 84 -8.842 14.585 -3.053 1.00 0.00 C ATOM 547 C HIS A 84 -9.562 15.686 -2.275 1.00 0.00 C ATOM 548 O HIS A 84 -10.218 16.537 -2.847 1.00 0.00 O ATOM 549 CB HIS A 84 -9.694 13.315 -3.102 1.00 0.00 C ATOM 550 CG HIS A 84 -10.852 13.523 -4.038 1.00 0.00 C ATOM 551 ND1 HIS A 84 -10.683 13.637 -5.409 1.00 0.00 N ATOM 552 CD2 HIS A 84 -12.202 13.641 -3.816 1.00 0.00 C ATOM 553 CE1 HIS A 84 -11.901 13.814 -5.955 1.00 0.00 C ATOM 554 NE2 HIS A 84 -12.861 13.824 -5.027 1.00 0.00 N ATOM 0 H HIS A 84 -7.596 13.256 -1.937 1.00 0.00 H new ATOM 0 HA HIS A 84 -8.644 14.973 -4.052 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -9.090 12.472 -3.436 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -10.059 13.070 -2.104 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -12.679 13.598 -2.848 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -12.080 13.933 -7.013 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -13.863 13.941 -5.175 1.00 0.00 H new ATOM 562 N GLN A 85 -9.436 15.678 -0.973 1.00 0.00 N ATOM 563 CA GLN A 85 -10.105 16.726 -0.144 1.00 0.00 C ATOM 564 C GLN A 85 -9.450 18.085 -0.402 1.00 0.00 C ATOM 565 O GLN A 85 -10.107 19.109 -0.415 1.00 0.00 O ATOM 566 CB GLN A 85 -9.892 16.293 1.308 1.00 0.00 C ATOM 567 CG GLN A 85 -10.746 17.165 2.231 1.00 0.00 C ATOM 568 CD GLN A 85 -12.192 16.664 2.211 1.00 0.00 C ATOM 569 OE1 GLN A 85 -12.442 15.486 2.368 1.00 0.00 O ATOM 570 NE2 GLN A 85 -13.162 17.518 2.022 1.00 0.00 N ATOM 0 H GLN A 85 -8.898 14.990 -0.447 1.00 0.00 H new ATOM 0 HA GLN A 85 -11.164 16.827 -0.380 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -10.162 15.244 1.429 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.839 16.384 1.575 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.352 17.132 3.247 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.705 18.205 1.907 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -12.952 18.507 1.890 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -14.130 17.196 2.006 1.00 0.00 H new ATOM 579 N LEU A 86 -8.158 18.095 -0.611 1.00 0.00 N ATOM 580 CA LEU A 86 -7.447 19.384 -0.877 1.00 0.00 C ATOM 581 C LEU A 86 -7.960 20.001 -2.179 1.00 0.00 C ATOM 582 O LEU A 86 -8.015 21.208 -2.325 1.00 0.00 O ATOM 583 CB LEU A 86 -5.968 19.013 -1.005 1.00 0.00 C ATOM 584 CG LEU A 86 -5.267 19.234 0.336 1.00 0.00 C ATOM 585 CD1 LEU A 86 -4.033 18.333 0.422 1.00 0.00 C ATOM 586 CD2 LEU A 86 -4.836 20.699 0.450 1.00 0.00 C ATOM 0 H LEU A 86 -7.564 17.266 -0.609 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.610 20.116 -0.086 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.869 17.972 -1.312 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.496 19.619 -1.778 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.952 18.991 1.148 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.533 18.491 1.378 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.338 17.290 0.339 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.348 18.576 -0.390 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.336 20.858 1.406 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.151 20.941 -0.363 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.714 21.342 0.388 1.00 0.00 H new ATOM 598 N PHE A 87 -8.342 19.178 -3.124 1.00 0.00 N ATOM 599 CA PHE A 87 -8.861 19.710 -4.423 1.00 0.00 C ATOM 600 C PHE A 87 -10.121 20.540 -4.176 1.00 0.00 C ATOM 601 O PHE A 87 -10.326 21.571 -4.788 1.00 0.00 O ATOM 602 CB PHE A 87 -9.190 18.474 -5.266 1.00 0.00 C ATOM 603 CG PHE A 87 -8.046 18.181 -6.206 1.00 0.00 C ATOM 604 CD1 PHE A 87 -7.858 18.969 -7.348 1.00 0.00 C ATOM 605 CD2 PHE A 87 -7.173 17.120 -5.937 1.00 0.00 C ATOM 606 CE1 PHE A 87 -6.798 18.696 -8.221 1.00 0.00 C ATOM 607 CE2 PHE A 87 -6.112 16.847 -6.810 1.00 0.00 C ATOM 608 CZ PHE A 87 -5.925 17.635 -7.952 1.00 0.00 C ATOM 0 H PHE A 87 -8.317 18.161 -3.053 1.00 0.00 H new ATOM 0 HA PHE A 87 -8.139 20.356 -4.923 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -9.369 17.617 -4.617 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -10.106 18.642 -5.833 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -8.531 19.788 -7.556 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -7.318 16.512 -5.056 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -6.654 19.304 -9.102 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -5.438 16.029 -6.602 1.00 0.00 H new ATOM 0 HZ PHE A 87 -5.107 17.424 -8.625 1.00 0.00 H new ATOM 618 N LEU A 88 -10.956 20.100 -3.273 1.00 0.00 N ATOM 619 CA LEU A 88 -12.205 20.860 -2.965 1.00 0.00 C ATOM 620 C LEU A 88 -11.859 22.115 -2.161 1.00 0.00 C ATOM 621 O LEU A 88 -12.524 23.129 -2.255 1.00 0.00 O ATOM 622 CB LEU A 88 -13.065 19.906 -2.132 1.00 0.00 C ATOM 623 CG LEU A 88 -13.706 18.864 -3.050 1.00 0.00 C ATOM 624 CD1 LEU A 88 -14.291 17.730 -2.206 1.00 0.00 C ATOM 625 CD2 LEU A 88 -14.824 19.522 -3.862 1.00 0.00 C ATOM 0 H LEU A 88 -10.827 19.244 -2.733 1.00 0.00 H new ATOM 0 HA LEU A 88 -12.727 21.185 -3.865 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -12.453 19.413 -1.377 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -13.837 20.464 -1.602 1.00 0.00 H new ATOM 0 HG LEU A 88 -12.951 18.462 -3.726 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -14.748 16.988 -2.861 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -13.497 17.262 -1.625 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -15.046 18.132 -1.530 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -15.282 18.781 -4.517 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -15.578 19.923 -3.185 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -14.409 20.331 -4.463 1.00 0.00 H new ATOM 637 N GLN A 89 -10.816 22.050 -1.374 1.00 0.00 N ATOM 638 CA GLN A 89 -10.404 23.232 -0.560 1.00 0.00 C ATOM 639 C GLN A 89 -9.475 24.150 -1.368 1.00 0.00 C ATOM 640 O GLN A 89 -9.273 25.297 -1.019 1.00 0.00 O ATOM 641 CB GLN A 89 -9.661 22.644 0.640 1.00 0.00 C ATOM 642 CG GLN A 89 -10.658 22.346 1.762 1.00 0.00 C ATOM 643 CD GLN A 89 -10.086 21.264 2.680 1.00 0.00 C ATOM 644 OE1 GLN A 89 -10.794 20.368 3.097 1.00 0.00 O ATOM 645 NE2 GLN A 89 -8.825 21.308 3.014 1.00 0.00 N ATOM 0 H GLN A 89 -10.229 21.224 -1.260 1.00 0.00 H new ATOM 0 HA GLN A 89 -11.258 23.838 -0.260 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -9.142 21.731 0.348 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -8.902 23.344 0.990 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -10.861 23.252 2.333 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -11.608 22.016 1.341 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -8.231 22.060 2.664 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -8.434 20.591 3.625 1.00 0.00 H new ATOM 654 N LEU A 90 -8.907 23.655 -2.447 1.00 0.00 N ATOM 655 CA LEU A 90 -7.989 24.500 -3.280 1.00 0.00 C ATOM 656 C LEU A 90 -8.681 25.808 -3.691 1.00 0.00 C ATOM 657 O LEU A 90 -7.978 26.768 -3.959 1.00 0.00 O ATOM 658 CB LEU A 90 -7.676 23.651 -4.517 1.00 0.00 C ATOM 659 CG LEU A 90 -6.702 24.401 -5.428 1.00 0.00 C ATOM 660 CD1 LEU A 90 -5.356 24.561 -4.718 1.00 0.00 C ATOM 661 CD2 LEU A 90 -6.504 23.608 -6.723 1.00 0.00 C ATOM 662 OXT LEU A 90 -9.899 25.823 -3.729 1.00 0.00 O ATOM 0 H LEU A 90 -9.040 22.702 -2.786 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.088 24.779 -2.734 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.244 22.697 -4.215 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.595 23.427 -5.058 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.108 25.385 -5.661 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -4.663 25.095 -5.368 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.496 25.124 -3.795 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.949 23.577 -4.484 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.810 24.141 -7.373 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.098 22.624 -6.489 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.462 23.494 -7.230 1.00 0.00 H new ATOM 675 N GLY B 166 -10.140 28.129 -1.414 1.00 0.00 N ATOM 676 CA GLY B 166 -8.662 28.250 -1.274 1.00 0.00 C ATOM 677 C GLY B 166 -8.333 29.295 -0.207 1.00 0.00 C ATOM 678 O GLY B 166 -9.185 29.699 0.561 1.00 0.00 O ATOM 0 HA2 GLY B 166 -8.232 27.287 -0.999 1.00 0.00 H new ATOM 0 HA3 GLY B 166 -8.218 28.537 -2.227 1.00 0.00 H new ATOM 684 N LEU B 167 -7.100 29.731 -0.155 1.00 0.00 N ATOM 685 CA LEU B 167 -6.702 30.751 0.862 1.00 0.00 C ATOM 686 C LEU B 167 -5.751 31.785 0.244 1.00 0.00 C ATOM 687 O LEU B 167 -5.901 32.973 0.457 1.00 0.00 O ATOM 688 CB LEU B 167 -6.015 29.966 1.994 1.00 0.00 C ATOM 689 CG LEU B 167 -4.883 29.079 1.450 1.00 0.00 C ATOM 690 CD1 LEU B 167 -3.555 29.825 1.547 1.00 0.00 C ATOM 691 CD2 LEU B 167 -4.810 27.793 2.271 1.00 0.00 C ATOM 0 H LEU B 167 -6.350 29.424 -0.774 1.00 0.00 H new ATOM 0 HA LEU B 167 -7.561 31.308 1.236 1.00 0.00 H new ATOM 0 HB2 LEU B 167 -5.613 30.662 2.730 1.00 0.00 H new ATOM 0 HB3 LEU B 167 -6.750 29.347 2.509 1.00 0.00 H new ATOM 0 HG LEU B 167 -5.082 28.834 0.406 1.00 0.00 H new ATOM 0 HD11 LEU B 167 -2.754 29.194 1.161 1.00 0.00 H new ATOM 0 HD12 LEU B 167 -3.609 30.742 0.961 1.00 0.00 H new ATOM 0 HD13 LEU B 167 -3.352 30.072 2.589 1.00 0.00 H new ATOM 0 HD21 LEU B 167 -4.008 27.162 1.888 1.00 0.00 H new ATOM 0 HD22 LEU B 167 -4.612 28.038 3.314 1.00 0.00 H new ATOM 0 HD23 LEU B 167 -5.758 27.260 2.197 1.00 0.00 H new ATOM 703 N SER B 168 -4.778 31.345 -0.515 1.00 0.00 N ATOM 704 CA SER B 168 -3.820 32.307 -1.144 1.00 0.00 C ATOM 705 C SER B 168 -3.212 31.728 -2.432 1.00 0.00 C ATOM 706 O SER B 168 -2.223 32.231 -2.929 1.00 0.00 O ATOM 707 CB SER B 168 -2.732 32.517 -0.093 1.00 0.00 C ATOM 708 OG SER B 168 -1.872 33.568 -0.512 1.00 0.00 O ATOM 0 H SER B 168 -4.606 30.362 -0.726 1.00 0.00 H new ATOM 0 HA SER B 168 -4.313 33.236 -1.429 1.00 0.00 H new ATOM 0 HB2 SER B 168 -3.182 32.761 0.869 1.00 0.00 H new ATOM 0 HB3 SER B 168 -2.162 31.598 0.046 1.00 0.00 H new ATOM 0 HG SER B 168 -1.692 33.480 -1.471 1.00 0.00 H new ATOM 714 N LYS B 169 -3.788 30.676 -2.978 1.00 0.00 N ATOM 715 CA LYS B 169 -3.240 30.063 -4.233 1.00 0.00 C ATOM 716 C LYS B 169 -1.732 29.820 -4.114 1.00 0.00 C ATOM 717 O LYS B 169 -1.019 29.792 -5.100 1.00 0.00 O ATOM 718 CB LYS B 169 -3.537 31.077 -5.338 1.00 0.00 C ATOM 719 CG LYS B 169 -3.452 30.384 -6.700 1.00 0.00 C ATOM 720 CD LYS B 169 -4.665 29.469 -6.883 1.00 0.00 C ATOM 721 CE LYS B 169 -4.767 29.045 -8.350 1.00 0.00 C ATOM 722 NZ LYS B 169 -5.523 30.143 -9.015 1.00 0.00 N ATOM 0 H LYS B 169 -4.618 30.216 -2.604 1.00 0.00 H new ATOM 0 HA LYS B 169 -3.692 29.092 -4.436 1.00 0.00 H new ATOM 0 HB2 LYS B 169 -4.529 31.505 -5.197 1.00 0.00 H new ATOM 0 HB3 LYS B 169 -2.825 31.901 -5.292 1.00 0.00 H new ATOM 0 HG2 LYS B 169 -3.420 31.127 -7.497 1.00 0.00 H new ATOM 0 HG3 LYS B 169 -2.532 29.804 -6.768 1.00 0.00 H new ATOM 0 HD2 LYS B 169 -4.571 28.590 -6.245 1.00 0.00 H new ATOM 0 HD3 LYS B 169 -5.574 29.987 -6.579 1.00 0.00 H new ATOM 0 HE2 LYS B 169 -3.780 28.920 -8.795 1.00 0.00 H new ATOM 0 HE3 LYS B 169 -5.285 28.091 -8.450 1.00 0.00 H new ATOM 0 HZ1 LYS B 169 -5.234 30.209 -10.012 1.00 0.00 H new ATOM 0 HZ2 LYS B 169 -6.542 29.944 -8.963 1.00 0.00 H new ATOM 0 HZ3 LYS B 169 -5.321 31.043 -8.535 1.00 0.00 H new ATOM 736 N GLU B 170 -1.249 29.645 -2.912 1.00 0.00 N ATOM 737 CA GLU B 170 0.209 29.403 -2.715 1.00 0.00 C ATOM 738 C GLU B 170 0.438 28.592 -1.442 1.00 0.00 C ATOM 739 O GLU B 170 1.177 27.625 -1.440 1.00 0.00 O ATOM 740 CB GLU B 170 0.832 30.794 -2.589 1.00 0.00 C ATOM 741 CG GLU B 170 2.300 30.739 -3.016 1.00 0.00 C ATOM 742 CD GLU B 170 3.163 30.311 -1.828 1.00 0.00 C ATOM 743 OE1 GLU B 170 3.160 29.133 -1.512 1.00 0.00 O ATOM 744 OE2 GLU B 170 3.812 31.169 -1.254 1.00 0.00 O ATOM 0 H GLU B 170 -1.804 29.659 -2.056 1.00 0.00 H new ATOM 0 HA GLU B 170 0.649 28.837 -3.536 1.00 0.00 H new ATOM 0 HB2 GLU B 170 0.288 31.505 -3.211 1.00 0.00 H new ATOM 0 HB3 GLU B 170 0.755 31.146 -1.560 1.00 0.00 H new ATOM 0 HG2 GLU B 170 2.424 30.037 -3.840 1.00 0.00 H new ATOM 0 HG3 GLU B 170 2.621 31.716 -3.379 1.00 0.00 H new ATOM 751 N GLU B 171 -0.197 28.971 -0.363 1.00 0.00 N ATOM 752 CA GLU B 171 -0.023 28.212 0.908 1.00 0.00 C ATOM 753 C GLU B 171 -0.772 26.886 0.805 1.00 0.00 C ATOM 754 O GLU B 171 -0.313 25.862 1.276 1.00 0.00 O ATOM 755 CB GLU B 171 -0.618 29.100 2.010 1.00 0.00 C ATOM 756 CG GLU B 171 0.488 29.539 2.974 1.00 0.00 C ATOM 757 CD GLU B 171 1.027 28.320 3.725 1.00 0.00 C ATOM 758 OE1 GLU B 171 0.302 27.791 4.553 1.00 0.00 O ATOM 759 OE2 GLU B 171 2.153 27.935 3.459 1.00 0.00 O ATOM 0 H GLU B 171 -0.827 29.772 -0.309 1.00 0.00 H new ATOM 0 HA GLU B 171 1.021 27.982 1.120 1.00 0.00 H new ATOM 0 HB2 GLU B 171 -1.096 29.974 1.567 1.00 0.00 H new ATOM 0 HB3 GLU B 171 -1.391 28.555 2.552 1.00 0.00 H new ATOM 0 HG2 GLU B 171 1.293 30.025 2.423 1.00 0.00 H new ATOM 0 HG3 GLU B 171 0.099 30.272 3.681 1.00 0.00 H new ATOM 766 N LEU B 172 -1.914 26.899 0.169 1.00 0.00 N ATOM 767 CA LEU B 172 -2.696 25.640 0.001 1.00 0.00 C ATOM 768 C LEU B 172 -2.026 24.763 -1.058 1.00 0.00 C ATOM 769 O LEU B 172 -2.130 23.551 -1.030 1.00 0.00 O ATOM 770 CB LEU B 172 -4.084 26.081 -0.464 1.00 0.00 C ATOM 771 CG LEU B 172 -5.141 25.153 0.137 1.00 0.00 C ATOM 772 CD1 LEU B 172 -6.519 25.808 0.031 1.00 0.00 C ATOM 773 CD2 LEU B 172 -5.147 23.827 -0.629 1.00 0.00 C ATOM 0 H LEU B 172 -2.339 27.730 -0.242 1.00 0.00 H new ATOM 0 HA LEU B 172 -2.753 25.058 0.921 1.00 0.00 H new ATOM 0 HB2 LEU B 172 -4.272 27.110 -0.158 1.00 0.00 H new ATOM 0 HB3 LEU B 172 -4.140 26.057 -1.552 1.00 0.00 H new ATOM 0 HG LEU B 172 -4.908 24.969 1.186 1.00 0.00 H new ATOM 0 HD11 LEU B 172 -7.271 25.145 0.460 1.00 0.00 H new ATOM 0 HD12 LEU B 172 -6.516 26.753 0.575 1.00 0.00 H new ATOM 0 HD13 LEU B 172 -6.754 25.993 -1.017 1.00 0.00 H new ATOM 0 HD21 LEU B 172 -5.900 23.164 -0.202 1.00 0.00 H new ATOM 0 HD22 LEU B 172 -5.380 24.013 -1.677 1.00 0.00 H new ATOM 0 HD23 LEU B 172 -4.166 23.359 -0.553 1.00 0.00 H new ATOM 785 N ILE B 173 -1.326 25.372 -1.987 1.00 0.00 N ATOM 786 CA ILE B 173 -0.633 24.579 -3.045 1.00 0.00 C ATOM 787 C ILE B 173 0.528 23.807 -2.418 1.00 0.00 C ATOM 788 O ILE B 173 0.846 22.704 -2.825 1.00 0.00 O ATOM 789 CB ILE B 173 -0.108 25.605 -4.058 1.00 0.00 C ATOM 790 CG1 ILE B 173 -1.270 26.453 -4.607 1.00 0.00 C ATOM 791 CG2 ILE B 173 0.585 24.875 -5.214 1.00 0.00 C ATOM 792 CD1 ILE B 173 -2.305 25.559 -5.299 1.00 0.00 C ATOM 0 H ILE B 173 -1.207 26.383 -2.056 1.00 0.00 H new ATOM 0 HA ILE B 173 -1.296 23.857 -3.522 1.00 0.00 H new ATOM 0 HB ILE B 173 0.605 26.262 -3.560 1.00 0.00 H new ATOM 0 HG12 ILE B 173 -1.742 27.004 -3.794 1.00 0.00 H new ATOM 0 HG13 ILE B 173 -0.888 27.191 -5.312 1.00 0.00 H new ATOM 0 HG21 ILE B 173 0.958 25.604 -5.933 1.00 0.00 H new ATOM 0 HG22 ILE B 173 1.418 24.289 -4.827 1.00 0.00 H new ATOM 0 HG23 ILE B 173 -0.128 24.212 -5.705 1.00 0.00 H new ATOM 0 HD11 ILE B 173 -3.120 26.174 -5.681 1.00 0.00 H new ATOM 0 HD12 ILE B 173 -1.833 25.028 -6.125 1.00 0.00 H new ATOM 0 HD13 ILE B 173 -2.700 24.838 -4.583 1.00 0.00 H new ATOM 804 N GLN B 174 1.155 24.380 -1.422 1.00 0.00 N ATOM 805 CA GLN B 174 2.293 23.687 -0.749 1.00 0.00 C ATOM 806 C GLN B 174 1.768 22.504 0.065 1.00 0.00 C ATOM 807 O GLN B 174 2.442 21.506 0.233 1.00 0.00 O ATOM 808 CB GLN B 174 2.922 24.737 0.169 1.00 0.00 C ATOM 809 CG GLN B 174 4.053 25.453 -0.572 1.00 0.00 C ATOM 810 CD GLN B 174 5.189 24.467 -0.847 1.00 0.00 C ATOM 811 OE1 GLN B 174 5.831 23.990 0.068 1.00 0.00 O ATOM 812 NE2 GLN B 174 5.467 24.137 -2.079 1.00 0.00 N ATOM 0 H GLN B 174 0.927 25.300 -1.046 1.00 0.00 H new ATOM 0 HA GLN B 174 3.019 23.293 -1.461 1.00 0.00 H new ATOM 0 HB2 GLN B 174 2.168 25.457 0.485 1.00 0.00 H new ATOM 0 HB3 GLN B 174 3.308 24.262 1.071 1.00 0.00 H new ATOM 0 HG2 GLN B 174 3.682 25.867 -1.510 1.00 0.00 H new ATOM 0 HG3 GLN B 174 4.420 26.289 0.023 1.00 0.00 H new ATOM 0 HE21 GLN B 174 4.929 24.537 -2.848 1.00 0.00 H new ATOM 0 HE22 GLN B 174 6.222 23.479 -2.273 1.00 0.00 H new ATOM 821 N ASN B 175 0.563 22.612 0.565 1.00 0.00 N ATOM 822 CA ASN B 175 -0.023 21.495 1.364 1.00 0.00 C ATOM 823 C ASN B 175 -0.332 20.309 0.450 1.00 0.00 C ATOM 824 O ASN B 175 -0.092 19.168 0.794 1.00 0.00 O ATOM 825 CB ASN B 175 -1.311 22.058 1.968 1.00 0.00 C ATOM 826 CG ASN B 175 -0.963 23.049 3.081 1.00 0.00 C ATOM 827 OD1 ASN B 175 0.069 22.934 3.712 1.00 0.00 O ATOM 828 ND2 ASN B 175 -1.787 24.025 3.350 1.00 0.00 N ATOM 0 H ASN B 175 -0.040 23.427 0.454 1.00 0.00 H new ATOM 0 HA ASN B 175 0.659 21.139 2.136 1.00 0.00 H new ATOM 0 HB2 ASN B 175 -1.900 22.554 1.197 1.00 0.00 H new ATOM 0 HB3 ASN B 175 -1.923 21.248 2.366 1.00 0.00 H new ATOM 0 HD21 ASN B 175 -1.565 24.691 4.090 1.00 0.00 H new ATOM 0 HD22 ASN B 175 -2.653 24.122 2.820 1.00 0.00 H new ATOM 835 N MET B 176 -0.857 20.579 -0.717 1.00 0.00 N ATOM 836 CA MET B 176 -1.181 19.473 -1.671 1.00 0.00 C ATOM 837 C MET B 176 0.099 18.734 -2.065 1.00 0.00 C ATOM 838 O MET B 176 0.089 17.541 -2.302 1.00 0.00 O ATOM 839 CB MET B 176 -1.805 20.159 -2.895 1.00 0.00 C ATOM 840 CG MET B 176 -3.315 19.899 -2.922 1.00 0.00 C ATOM 841 SD MET B 176 -3.893 19.864 -4.638 1.00 0.00 S ATOM 842 CE MET B 176 -5.427 20.787 -4.377 1.00 0.00 C ATOM 0 H MET B 176 -1.076 21.517 -1.052 1.00 0.00 H new ATOM 0 HA MET B 176 -1.858 18.738 -1.235 1.00 0.00 H new ATOM 0 HB2 MET B 176 -1.612 21.231 -2.860 1.00 0.00 H new ATOM 0 HB3 MET B 176 -1.345 19.782 -3.809 1.00 0.00 H new ATOM 0 HG2 MET B 176 -3.540 18.952 -2.432 1.00 0.00 H new ATOM 0 HG3 MET B 176 -3.839 20.677 -2.367 1.00 0.00 H new ATOM 0 HE1 MET B 176 -5.792 21.163 -5.333 1.00 0.00 H new ATOM 0 HE2 MET B 176 -6.176 20.130 -3.935 1.00 0.00 H new ATOM 0 HE3 MET B 176 -5.238 21.625 -3.706 1.00 0.00 H new ATOM 852 N ASP B 177 1.199 19.438 -2.128 1.00 0.00 N ATOM 853 CA ASP B 177 2.492 18.787 -2.498 1.00 0.00 C ATOM 854 C ASP B 177 2.994 17.926 -1.338 1.00 0.00 C ATOM 855 O ASP B 177 3.670 16.934 -1.536 1.00 0.00 O ATOM 856 CB ASP B 177 3.460 19.939 -2.771 1.00 0.00 C ATOM 857 CG ASP B 177 4.660 19.420 -3.566 1.00 0.00 C ATOM 858 OD1 ASP B 177 4.573 19.391 -4.782 1.00 0.00 O ATOM 859 OD2 ASP B 177 5.646 19.061 -2.944 1.00 0.00 O ATOM 0 H ASP B 177 1.258 20.439 -1.939 1.00 0.00 H new ATOM 0 HA ASP B 177 2.392 18.132 -3.364 1.00 0.00 H new ATOM 0 HB2 ASP B 177 2.955 20.728 -3.328 1.00 0.00 H new ATOM 0 HB3 ASP B 177 3.795 20.377 -1.831 1.00 0.00 H new ATOM 864 N ARG B 178 2.663 18.301 -0.128 1.00 0.00 N ATOM 865 CA ARG B 178 3.114 17.508 1.057 1.00 0.00 C ATOM 866 C ARG B 178 2.327 16.200 1.140 1.00 0.00 C ATOM 867 O ARG B 178 2.842 15.183 1.566 1.00 0.00 O ATOM 868 CB ARG B 178 2.817 18.392 2.269 1.00 0.00 C ATOM 869 CG ARG B 178 3.721 17.982 3.436 1.00 0.00 C ATOM 870 CD ARG B 178 4.157 19.228 4.210 1.00 0.00 C ATOM 871 NE ARG B 178 2.898 19.789 4.775 1.00 0.00 N ATOM 872 CZ ARG B 178 2.808 20.029 6.054 1.00 0.00 C ATOM 873 NH1 ARG B 178 3.584 20.920 6.607 1.00 0.00 N ATOM 874 NH2 ARG B 178 1.939 19.379 6.779 1.00 0.00 N ATOM 0 H ARG B 178 2.100 19.123 0.091 1.00 0.00 H new ATOM 0 HA ARG B 178 4.170 17.244 1.000 1.00 0.00 H new ATOM 0 HB2 ARG B 178 2.983 19.440 2.018 1.00 0.00 H new ATOM 0 HB3 ARG B 178 1.770 18.295 2.555 1.00 0.00 H new ATOM 0 HG2 ARG B 178 3.190 17.298 4.098 1.00 0.00 H new ATOM 0 HG3 ARG B 178 4.595 17.449 3.062 1.00 0.00 H new ATOM 0 HD2 ARG B 178 4.866 18.975 4.999 1.00 0.00 H new ATOM 0 HD3 ARG B 178 4.651 19.947 3.556 1.00 0.00 H new ATOM 0 HE ARG B 178 2.107 19.985 4.162 1.00 0.00 H new ATOM 0 HH11 ARG B 178 4.261 21.429 6.039 1.00 0.00 H new ATOM 0 HH12 ARG B 178 3.513 21.107 7.607 1.00 0.00 H new ATOM 0 HH21 ARG B 178 1.331 18.684 6.345 1.00 0.00 H new ATOM 0 HH22 ARG B 178 1.868 19.566 7.779 1.00 0.00 H new ATOM 888 N VAL B 179 1.085 16.220 0.730 1.00 0.00 N ATOM 889 CA VAL B 179 0.256 14.978 0.777 1.00 0.00 C ATOM 890 C VAL B 179 0.741 13.994 -0.291 1.00 0.00 C ATOM 891 O VAL B 179 0.652 12.793 -0.125 1.00 0.00 O ATOM 892 CB VAL B 179 -1.180 15.432 0.487 1.00 0.00 C ATOM 893 CG1 VAL B 179 -2.120 14.223 0.515 1.00 0.00 C ATOM 894 CG2 VAL B 179 -1.623 16.441 1.552 1.00 0.00 C ATOM 0 H VAL B 179 0.608 17.044 0.364 1.00 0.00 H new ATOM 0 HA VAL B 179 0.324 14.470 1.739 1.00 0.00 H new ATOM 0 HB VAL B 179 -1.217 15.898 -0.498 1.00 0.00 H new ATOM 0 HG11 VAL B 179 -3.139 14.550 0.309 1.00 0.00 H new ATOM 0 HG12 VAL B 179 -1.809 13.503 -0.242 1.00 0.00 H new ATOM 0 HG13 VAL B 179 -2.081 13.755 1.499 1.00 0.00 H new ATOM 0 HG21 VAL B 179 -2.644 16.763 1.346 1.00 0.00 H new ATOM 0 HG22 VAL B 179 -1.582 15.973 2.536 1.00 0.00 H new ATOM 0 HG23 VAL B 179 -0.959 17.305 1.533 1.00 0.00 H new ATOM 904 N ASP B 180 1.255 14.501 -1.382 1.00 0.00 N ATOM 905 CA ASP B 180 1.753 13.599 -2.467 1.00 0.00 C ATOM 906 C ASP B 180 3.011 12.868 -1.999 1.00 0.00 C ATOM 907 O ASP B 180 3.276 11.750 -2.403 1.00 0.00 O ATOM 908 CB ASP B 180 2.074 14.523 -3.645 1.00 0.00 C ATOM 909 CG ASP B 180 2.274 13.686 -4.910 1.00 0.00 C ATOM 910 OD1 ASP B 180 1.452 12.819 -5.159 1.00 0.00 O ATOM 911 OD2 ASP B 180 3.245 13.926 -5.608 1.00 0.00 O ATOM 0 H ASP B 180 1.352 15.499 -1.570 1.00 0.00 H new ATOM 0 HA ASP B 180 1.022 12.838 -2.741 1.00 0.00 H new ATOM 0 HB2 ASP B 180 1.263 15.237 -3.793 1.00 0.00 H new ATOM 0 HB3 ASP B 180 2.973 15.101 -3.433 1.00 0.00 H new ATOM 916 N ARG B 181 3.780 13.489 -1.143 1.00 0.00 N ATOM 917 CA ARG B 181 5.022 12.834 -0.633 1.00 0.00 C ATOM 918 C ARG B 181 4.662 11.772 0.409 1.00 0.00 C ATOM 919 O ARG B 181 5.369 10.797 0.582 1.00 0.00 O ATOM 920 CB ARG B 181 5.836 13.961 0.006 1.00 0.00 C ATOM 921 CG ARG B 181 6.603 14.717 -1.080 1.00 0.00 C ATOM 922 CD ARG B 181 6.963 16.115 -0.574 1.00 0.00 C ATOM 923 NE ARG B 181 8.331 15.977 -0.002 1.00 0.00 N ATOM 924 CZ ARG B 181 9.353 16.505 -0.619 1.00 0.00 C ATOM 925 NH1 ARG B 181 9.712 17.732 -0.352 1.00 0.00 N ATOM 926 NH2 ARG B 181 10.015 15.809 -1.502 1.00 0.00 N ATOM 0 H ARG B 181 3.601 14.423 -0.774 1.00 0.00 H new ATOM 0 HA ARG B 181 5.580 12.332 -1.423 1.00 0.00 H new ATOM 0 HB2 ARG B 181 5.175 14.643 0.541 1.00 0.00 H new ATOM 0 HB3 ARG B 181 6.531 13.551 0.739 1.00 0.00 H new ATOM 0 HG2 ARG B 181 7.508 14.171 -1.347 1.00 0.00 H new ATOM 0 HG3 ARG B 181 5.997 14.791 -1.983 1.00 0.00 H new ATOM 0 HD2 ARG B 181 6.945 16.845 -1.384 1.00 0.00 H new ATOM 0 HD3 ARG B 181 6.253 16.457 0.179 1.00 0.00 H new ATOM 0 HE ARG B 181 8.469 15.470 0.872 1.00 0.00 H new ATOM 0 HH11 ARG B 181 9.194 18.276 0.338 1.00 0.00 H new ATOM 0 HH12 ARG B 181 10.510 18.146 -0.833 1.00 0.00 H new ATOM 0 HH21 ARG B 181 9.734 14.851 -1.711 1.00 0.00 H new ATOM 0 HH22 ARG B 181 10.813 16.223 -1.983 1.00 0.00 H new ATOM 940 N GLU B 182 3.563 11.954 1.100 1.00 0.00 N ATOM 941 CA GLU B 182 3.146 10.957 2.130 1.00 0.00 C ATOM 942 C GLU B 182 2.549 9.722 1.452 1.00 0.00 C ATOM 943 O GLU B 182 2.706 8.610 1.921 1.00 0.00 O ATOM 944 CB GLU B 182 2.091 11.669 2.976 1.00 0.00 C ATOM 945 CG GLU B 182 1.858 10.886 4.270 1.00 0.00 C ATOM 946 CD GLU B 182 2.996 11.174 5.252 1.00 0.00 C ATOM 947 OE1 GLU B 182 2.880 12.133 5.997 1.00 0.00 O ATOM 948 OE2 GLU B 182 3.962 10.430 5.242 1.00 0.00 O ATOM 0 H GLU B 182 2.937 12.752 0.993 1.00 0.00 H new ATOM 0 HA GLU B 182 3.985 10.615 2.737 1.00 0.00 H new ATOM 0 HB2 GLU B 182 2.418 12.683 3.206 1.00 0.00 H new ATOM 0 HB3 GLU B 182 1.159 11.754 2.417 1.00 0.00 H new ATOM 0 HG2 GLU B 182 0.902 11.168 4.711 1.00 0.00 H new ATOM 0 HG3 GLU B 182 1.808 9.818 4.058 1.00 0.00 H new ATOM 955 N ILE B 183 1.872 9.913 0.349 1.00 0.00 N ATOM 956 CA ILE B 183 1.267 8.753 -0.371 1.00 0.00 C ATOM 957 C ILE B 183 2.364 7.964 -1.089 1.00 0.00 C ATOM 958 O ILE B 183 2.263 6.764 -1.266 1.00 0.00 O ATOM 959 CB ILE B 183 0.285 9.366 -1.377 1.00 0.00 C ATOM 960 CG1 ILE B 183 -0.786 10.159 -0.622 1.00 0.00 C ATOM 961 CG2 ILE B 183 -0.389 8.256 -2.187 1.00 0.00 C ATOM 962 CD1 ILE B 183 -1.572 11.024 -1.609 1.00 0.00 C ATOM 0 H ILE B 183 1.712 10.823 -0.084 1.00 0.00 H new ATOM 0 HA ILE B 183 0.762 8.061 0.303 1.00 0.00 H new ATOM 0 HB ILE B 183 0.829 10.027 -2.052 1.00 0.00 H new ATOM 0 HG12 ILE B 183 -1.460 9.477 -0.103 1.00 0.00 H new ATOM 0 HG13 ILE B 183 -0.321 10.787 0.138 1.00 0.00 H new ATOM 0 HG21 ILE B 183 -1.085 8.697 -2.900 1.00 0.00 H new ATOM 0 HG22 ILE B 183 0.369 7.687 -2.725 1.00 0.00 H new ATOM 0 HG23 ILE B 183 -0.931 7.592 -1.514 1.00 0.00 H new ATOM 0 HD11 ILE B 183 -2.334 11.588 -1.072 1.00 0.00 H new ATOM 0 HD12 ILE B 183 -0.893 11.715 -2.108 1.00 0.00 H new ATOM 0 HD13 ILE B 183 -2.050 10.385 -2.352 1.00 0.00 H new ATOM 974 N THR B 184 3.414 8.630 -1.496 1.00 0.00 N ATOM 975 CA THR B 184 4.530 7.924 -2.194 1.00 0.00 C ATOM 976 C THR B 184 5.315 7.079 -1.191 1.00 0.00 C ATOM 977 O THR B 184 5.856 6.043 -1.529 1.00 0.00 O ATOM 978 CB THR B 184 5.413 9.033 -2.772 1.00 0.00 C ATOM 979 OG1 THR B 184 4.609 9.935 -3.521 1.00 0.00 O ATOM 980 CG2 THR B 184 6.477 8.419 -3.683 1.00 0.00 C ATOM 0 H THR B 184 3.547 9.634 -1.375 1.00 0.00 H new ATOM 0 HA THR B 184 4.172 7.251 -2.973 1.00 0.00 H new ATOM 0 HB THR B 184 5.901 9.570 -1.958 1.00 0.00 H new ATOM 0 HG1 THR B 184 4.483 10.762 -3.011 1.00 0.00 H new ATOM 0 HG21 THR B 184 7.105 9.210 -4.094 1.00 0.00 H new ATOM 0 HG22 THR B 184 7.094 7.728 -3.108 1.00 0.00 H new ATOM 0 HG23 THR B 184 5.992 7.881 -4.498 1.00 0.00 H new ATOM 988 N MET B 185 5.373 7.513 0.043 1.00 0.00 N ATOM 989 CA MET B 185 6.113 6.734 1.081 1.00 0.00 C ATOM 990 C MET B 185 5.311 5.490 1.460 1.00 0.00 C ATOM 991 O MET B 185 5.846 4.403 1.561 1.00 0.00 O ATOM 992 CB MET B 185 6.245 7.678 2.279 1.00 0.00 C ATOM 993 CG MET B 185 7.631 8.326 2.272 1.00 0.00 C ATOM 994 SD MET B 185 8.082 8.804 3.958 1.00 0.00 S ATOM 995 CE MET B 185 8.754 7.205 4.476 1.00 0.00 C ATOM 0 H MET B 185 4.939 8.374 0.376 1.00 0.00 H new ATOM 0 HA MET B 185 7.088 6.396 0.730 1.00 0.00 H new ATOM 0 HB2 MET B 185 5.473 8.446 2.236 1.00 0.00 H new ATOM 0 HB3 MET B 185 6.095 7.127 3.207 1.00 0.00 H new ATOM 0 HG2 MET B 185 8.368 7.630 1.871 1.00 0.00 H new ATOM 0 HG3 MET B 185 7.632 9.201 1.622 1.00 0.00 H new ATOM 0 HE1 MET B 185 9.099 7.272 5.508 1.00 0.00 H new ATOM 0 HE2 MET B 185 7.978 6.443 4.402 1.00 0.00 H new ATOM 0 HE3 MET B 185 9.590 6.936 3.831 1.00 0.00 H new ATOM 1005 N VAL B 186 4.026 5.643 1.659 1.00 0.00 N ATOM 1006 CA VAL B 186 3.177 4.468 2.020 1.00 0.00 C ATOM 1007 C VAL B 186 3.011 3.566 0.796 1.00 0.00 C ATOM 1008 O VAL B 186 2.888 2.361 0.912 1.00 0.00 O ATOM 1009 CB VAL B 186 1.827 5.054 2.451 1.00 0.00 C ATOM 1010 CG1 VAL B 186 0.880 3.922 2.857 1.00 0.00 C ATOM 1011 CG2 VAL B 186 2.034 5.990 3.645 1.00 0.00 C ATOM 0 H VAL B 186 3.529 6.531 1.587 1.00 0.00 H new ATOM 0 HA VAL B 186 3.616 3.864 2.814 1.00 0.00 H new ATOM 0 HB VAL B 186 1.395 5.610 1.619 1.00 0.00 H new ATOM 0 HG11 VAL B 186 -0.078 4.341 3.163 1.00 0.00 H new ATOM 0 HG12 VAL B 186 0.729 3.252 2.010 1.00 0.00 H new ATOM 0 HG13 VAL B 186 1.314 3.365 3.687 1.00 0.00 H new ATOM 0 HG21 VAL B 186 1.074 6.407 3.951 1.00 0.00 H new ATOM 0 HG22 VAL B 186 2.468 5.431 4.474 1.00 0.00 H new ATOM 0 HG23 VAL B 186 2.707 6.799 3.361 1.00 0.00 H new ATOM 1021 N GLU B 187 3.022 4.145 -0.378 1.00 0.00 N ATOM 1022 CA GLU B 187 2.880 3.331 -1.621 1.00 0.00 C ATOM 1023 C GLU B 187 4.183 2.579 -1.898 1.00 0.00 C ATOM 1024 O GLU B 187 4.179 1.506 -2.471 1.00 0.00 O ATOM 1025 CB GLU B 187 2.595 4.341 -2.735 1.00 0.00 C ATOM 1026 CG GLU B 187 2.335 3.596 -4.046 1.00 0.00 C ATOM 1027 CD GLU B 187 1.881 4.589 -5.117 1.00 0.00 C ATOM 1028 OE1 GLU B 187 2.566 5.580 -5.307 1.00 0.00 O ATOM 1029 OE2 GLU B 187 0.855 4.340 -5.730 1.00 0.00 O ATOM 0 H GLU B 187 3.123 5.149 -0.528 1.00 0.00 H new ATOM 0 HA GLU B 187 2.087 2.587 -1.542 1.00 0.00 H new ATOM 0 HB2 GLU B 187 1.731 4.952 -2.474 1.00 0.00 H new ATOM 0 HB3 GLU B 187 3.441 5.019 -2.851 1.00 0.00 H new ATOM 0 HG2 GLU B 187 3.240 3.083 -4.371 1.00 0.00 H new ATOM 0 HG3 GLU B 187 1.572 2.832 -3.897 1.00 0.00 H new ATOM 1036 N GLN B 188 5.295 3.134 -1.484 1.00 0.00 N ATOM 1037 CA GLN B 188 6.606 2.454 -1.711 1.00 0.00 C ATOM 1038 C GLN B 188 6.707 1.214 -0.823 1.00 0.00 C ATOM 1039 O GLN B 188 7.334 0.233 -1.179 1.00 0.00 O ATOM 1040 CB GLN B 188 7.670 3.482 -1.321 1.00 0.00 C ATOM 1041 CG GLN B 188 9.038 3.032 -1.846 1.00 0.00 C ATOM 1042 CD GLN B 188 9.354 3.760 -3.157 1.00 0.00 C ATOM 1043 OE1 GLN B 188 10.484 4.138 -3.397 1.00 0.00 O ATOM 1044 NE2 GLN B 188 8.399 3.974 -4.021 1.00 0.00 N ATOM 0 H GLN B 188 5.351 4.029 -0.998 1.00 0.00 H new ATOM 0 HA GLN B 188 6.727 2.124 -2.743 1.00 0.00 H new ATOM 0 HB2 GLN B 188 7.415 4.458 -1.733 1.00 0.00 H new ATOM 0 HB3 GLN B 188 7.704 3.592 -0.237 1.00 0.00 H new ATOM 0 HG2 GLN B 188 9.810 3.244 -1.106 1.00 0.00 H new ATOM 0 HG3 GLN B 188 9.039 1.954 -2.008 1.00 0.00 H new ATOM 0 HE21 GLN B 188 7.450 3.657 -3.821 1.00 0.00 H new ATOM 0 HE22 GLN B 188 8.602 4.458 -4.896 1.00 0.00 H new ATOM 1053 N GLN B 189 6.086 1.251 0.328 1.00 0.00 N ATOM 1054 CA GLN B 189 6.132 0.074 1.247 1.00 0.00 C ATOM 1055 C GLN B 189 5.269 -1.057 0.685 1.00 0.00 C ATOM 1056 O GLN B 189 5.601 -2.221 0.806 1.00 0.00 O ATOM 1057 CB GLN B 189 5.563 0.576 2.577 1.00 0.00 C ATOM 1058 CG GLN B 189 6.352 -0.036 3.739 1.00 0.00 C ATOM 1059 CD GLN B 189 7.404 0.962 4.231 1.00 0.00 C ATOM 1060 OE1 GLN B 189 7.629 1.088 5.418 1.00 0.00 O ATOM 1061 NE2 GLN B 189 8.062 1.679 3.362 1.00 0.00 N ATOM 0 H GLN B 189 5.548 2.047 0.672 1.00 0.00 H new ATOM 0 HA GLN B 189 7.142 -0.319 1.366 1.00 0.00 H new ATOM 0 HB2 GLN B 189 5.618 1.664 2.620 1.00 0.00 H new ATOM 0 HB3 GLN B 189 4.510 0.307 2.658 1.00 0.00 H new ATOM 0 HG2 GLN B 189 5.676 -0.297 4.553 1.00 0.00 H new ATOM 0 HG3 GLN B 189 6.835 -0.959 3.417 1.00 0.00 H new ATOM 0 HE21 GLN B 189 7.873 1.573 2.365 1.00 0.00 H new ATOM 0 HE22 GLN B 189 8.766 2.346 3.679 1.00 0.00 H new ATOM 1070 N ILE B 190 4.167 -0.717 0.065 1.00 0.00 N ATOM 1071 CA ILE B 190 3.277 -1.768 -0.516 1.00 0.00 C ATOM 1072 C ILE B 190 3.947 -2.378 -1.749 1.00 0.00 C ATOM 1073 O ILE B 190 3.763 -3.541 -2.055 1.00 0.00 O ATOM 1074 CB ILE B 190 1.982 -1.042 -0.901 1.00 0.00 C ATOM 1075 CG1 ILE B 190 1.376 -0.388 0.348 1.00 0.00 C ATOM 1076 CG2 ILE B 190 0.983 -2.049 -1.483 1.00 0.00 C ATOM 1077 CD1 ILE B 190 0.147 0.436 -0.042 1.00 0.00 C ATOM 0 H ILE B 190 3.845 0.242 -0.064 1.00 0.00 H new ATOM 0 HA ILE B 190 3.079 -2.581 0.182 1.00 0.00 H new ATOM 0 HB ILE B 190 2.202 -0.277 -1.646 1.00 0.00 H new ATOM 0 HG12 ILE B 190 1.097 -1.154 1.071 1.00 0.00 H new ATOM 0 HG13 ILE B 190 2.116 0.251 0.830 1.00 0.00 H new ATOM 0 HG21 ILE B 190 0.063 -1.532 -1.756 1.00 0.00 H new ATOM 0 HG22 ILE B 190 1.413 -2.518 -2.368 1.00 0.00 H new ATOM 0 HG23 ILE B 190 0.762 -2.814 -0.739 1.00 0.00 H new ATOM 0 HD11 ILE B 190 -0.279 0.898 0.849 1.00 0.00 H new ATOM 0 HD12 ILE B 190 0.439 1.212 -0.749 1.00 0.00 H new ATOM 0 HD13 ILE B 190 -0.596 -0.215 -0.504 1.00 0.00 H new ATOM 1089 N SER B 191 4.731 -1.599 -2.451 1.00 0.00 N ATOM 1090 CA SER B 191 5.428 -2.128 -3.662 1.00 0.00 C ATOM 1091 C SER B 191 6.485 -3.148 -3.237 1.00 0.00 C ATOM 1092 O SER B 191 6.683 -4.156 -3.889 1.00 0.00 O ATOM 1093 CB SER B 191 6.085 -0.912 -4.317 1.00 0.00 C ATOM 1094 OG SER B 191 5.100 -0.174 -5.029 1.00 0.00 O ATOM 0 H SER B 191 4.918 -0.619 -2.237 1.00 0.00 H new ATOM 0 HA SER B 191 4.747 -2.630 -4.349 1.00 0.00 H new ATOM 0 HB2 SER B 191 6.550 -0.283 -3.558 1.00 0.00 H new ATOM 0 HB3 SER B 191 6.877 -1.232 -4.994 1.00 0.00 H new ATOM 0 HG SER B 191 4.651 0.447 -4.418 1.00 0.00 H new ATOM 1100 N LYS B 192 7.153 -2.895 -2.140 1.00 0.00 N ATOM 1101 CA LYS B 192 8.190 -3.854 -1.657 1.00 0.00 C ATOM 1102 C LYS B 192 7.505 -5.075 -1.044 1.00 0.00 C ATOM 1103 O LYS B 192 7.964 -6.192 -1.185 1.00 0.00 O ATOM 1104 CB LYS B 192 8.986 -3.090 -0.596 1.00 0.00 C ATOM 1105 CG LYS B 192 9.646 -1.865 -1.235 1.00 0.00 C ATOM 1106 CD LYS B 192 10.303 -1.013 -0.148 1.00 0.00 C ATOM 1107 CE LYS B 192 11.224 0.022 -0.797 1.00 0.00 C ATOM 1108 NZ LYS B 192 12.525 -0.681 -0.976 1.00 0.00 N ATOM 0 H LYS B 192 7.025 -2.066 -1.559 1.00 0.00 H new ATOM 0 HA LYS B 192 8.838 -4.210 -2.458 1.00 0.00 H new ATOM 0 HB2 LYS B 192 8.327 -2.780 0.215 1.00 0.00 H new ATOM 0 HB3 LYS B 192 9.745 -3.739 -0.159 1.00 0.00 H new ATOM 0 HG2 LYS B 192 10.392 -2.180 -1.965 1.00 0.00 H new ATOM 0 HG3 LYS B 192 8.902 -1.277 -1.773 1.00 0.00 H new ATOM 0 HD2 LYS B 192 9.539 -0.513 0.448 1.00 0.00 H new ATOM 0 HD3 LYS B 192 10.873 -1.647 0.531 1.00 0.00 H new ATOM 0 HE2 LYS B 192 10.824 0.363 -1.752 1.00 0.00 H new ATOM 0 HE3 LYS B 192 11.335 0.903 -0.165 1.00 0.00 H new ATOM 0 HZ1 LYS B 192 13.047 -0.250 -1.765 1.00 0.00 H new ATOM 0 HZ2 LYS B 192 13.086 -0.600 -0.104 1.00 0.00 H new ATOM 0 HZ3 LYS B 192 12.351 -1.685 -1.183 1.00 0.00 H new ATOM 1122 N LEU B 193 6.397 -4.865 -0.379 1.00 0.00 N ATOM 1123 CA LEU B 193 5.660 -6.010 0.233 1.00 0.00 C ATOM 1124 C LEU B 193 4.992 -6.830 -0.873 1.00 0.00 C ATOM 1125 O LEU B 193 4.842 -8.032 -0.764 1.00 0.00 O ATOM 1126 CB LEU B 193 4.609 -5.374 1.150 1.00 0.00 C ATOM 1127 CG LEU B 193 4.599 -6.095 2.501 1.00 0.00 C ATOM 1128 CD1 LEU B 193 4.225 -5.104 3.604 1.00 0.00 C ATOM 1129 CD2 LEU B 193 3.572 -7.229 2.465 1.00 0.00 C ATOM 0 H LEU B 193 5.972 -3.949 -0.234 1.00 0.00 H new ATOM 0 HA LEU B 193 6.314 -6.682 0.789 1.00 0.00 H new ATOM 0 HB2 LEU B 193 4.829 -4.316 1.293 1.00 0.00 H new ATOM 0 HB3 LEU B 193 3.624 -5.435 0.687 1.00 0.00 H new ATOM 0 HG LEU B 193 5.588 -6.506 2.702 1.00 0.00 H new ATOM 0 HD11 LEU B 193 4.218 -5.616 4.566 1.00 0.00 H new ATOM 0 HD12 LEU B 193 4.955 -4.295 3.629 1.00 0.00 H new ATOM 0 HD13 LEU B 193 3.235 -4.693 3.404 1.00 0.00 H new ATOM 0 HD21 LEU B 193 3.564 -7.743 3.426 1.00 0.00 H new ATOM 0 HD22 LEU B 193 2.583 -6.818 2.265 1.00 0.00 H new ATOM 0 HD23 LEU B 193 3.837 -7.935 1.678 1.00 0.00 H new ATOM 1141 N LYS B 194 4.603 -6.182 -1.945 1.00 0.00 N ATOM 1142 CA LYS B 194 3.955 -6.916 -3.073 1.00 0.00 C ATOM 1143 C LYS B 194 4.978 -7.840 -3.735 1.00 0.00 C ATOM 1144 O LYS B 194 4.671 -8.960 -4.097 1.00 0.00 O ATOM 1145 CB LYS B 194 3.496 -5.832 -4.053 1.00 0.00 C ATOM 1146 CG LYS B 194 2.563 -6.448 -5.096 1.00 0.00 C ATOM 1147 CD LYS B 194 1.187 -6.688 -4.474 1.00 0.00 C ATOM 1148 CE LYS B 194 0.504 -5.342 -4.211 1.00 0.00 C ATOM 1149 NZ LYS B 194 -0.944 -5.668 -4.077 1.00 0.00 N ATOM 0 H LYS B 194 4.707 -5.177 -2.086 1.00 0.00 H new ATOM 0 HA LYS B 194 3.120 -7.534 -2.743 1.00 0.00 H new ATOM 0 HB2 LYS B 194 2.982 -5.035 -3.515 1.00 0.00 H new ATOM 0 HB3 LYS B 194 4.359 -5.381 -4.543 1.00 0.00 H new ATOM 0 HG2 LYS B 194 2.474 -5.785 -5.956 1.00 0.00 H new ATOM 0 HG3 LYS B 194 2.978 -7.388 -5.460 1.00 0.00 H new ATOM 0 HD2 LYS B 194 0.575 -7.294 -5.142 1.00 0.00 H new ATOM 0 HD3 LYS B 194 1.289 -7.244 -3.542 1.00 0.00 H new ATOM 0 HE2 LYS B 194 0.889 -4.874 -3.305 1.00 0.00 H new ATOM 0 HE3 LYS B 194 0.678 -4.644 -5.030 1.00 0.00 H new ATOM 0 HZ1 LYS B 194 -1.481 -4.796 -3.895 1.00 0.00 H new ATOM 0 HZ2 LYS B 194 -1.284 -6.107 -4.957 1.00 0.00 H new ATOM 0 HZ3 LYS B 194 -1.079 -6.329 -3.286 1.00 0.00 H new ATOM 1163 N LYS B 195 6.196 -7.379 -3.881 1.00 0.00 N ATOM 1164 CA LYS B 195 7.251 -8.233 -4.505 1.00 0.00 C ATOM 1165 C LYS B 195 7.497 -9.459 -3.623 1.00 0.00 C ATOM 1166 O LYS B 195 7.817 -10.530 -4.105 1.00 0.00 O ATOM 1167 CB LYS B 195 8.500 -7.353 -4.570 1.00 0.00 C ATOM 1168 CG LYS B 195 9.633 -8.120 -5.255 1.00 0.00 C ATOM 1169 CD LYS B 195 9.656 -7.777 -6.746 1.00 0.00 C ATOM 1170 CE LYS B 195 8.803 -8.788 -7.517 1.00 0.00 C ATOM 1171 NZ LYS B 195 9.192 -8.609 -8.943 1.00 0.00 N ATOM 0 H LYS B 195 6.504 -6.450 -3.595 1.00 0.00 H new ATOM 0 HA LYS B 195 6.969 -8.593 -5.495 1.00 0.00 H new ATOM 0 HB2 LYS B 195 8.283 -6.437 -5.119 1.00 0.00 H new ATOM 0 HB3 LYS B 195 8.802 -7.058 -3.565 1.00 0.00 H new ATOM 0 HG2 LYS B 195 10.588 -7.863 -4.798 1.00 0.00 H new ATOM 0 HG3 LYS B 195 9.493 -9.193 -5.120 1.00 0.00 H new ATOM 0 HD2 LYS B 195 9.274 -6.768 -6.904 1.00 0.00 H new ATOM 0 HD3 LYS B 195 10.681 -7.792 -7.117 1.00 0.00 H new ATOM 0 HE2 LYS B 195 8.996 -9.806 -7.180 1.00 0.00 H new ATOM 0 HE3 LYS B 195 7.739 -8.600 -7.371 1.00 0.00 H new ATOM 0 HZ1 LYS B 195 8.649 -9.269 -9.536 1.00 0.00 H new ATOM 0 HZ2 LYS B 195 8.991 -7.632 -9.238 1.00 0.00 H new ATOM 0 HZ3 LYS B 195 10.208 -8.801 -9.052 1.00 0.00 H new ATOM 1185 N LYS B 196 7.338 -9.305 -2.332 1.00 0.00 N ATOM 1186 CA LYS B 196 7.545 -10.457 -1.403 1.00 0.00 C ATOM 1187 C LYS B 196 6.512 -11.545 -1.704 1.00 0.00 C ATOM 1188 O LYS B 196 6.803 -12.725 -1.643 1.00 0.00 O ATOM 1189 CB LYS B 196 7.338 -9.883 0.002 1.00 0.00 C ATOM 1190 CG LYS B 196 7.522 -10.984 1.050 1.00 0.00 C ATOM 1191 CD LYS B 196 6.880 -10.547 2.370 1.00 0.00 C ATOM 1192 CE LYS B 196 5.365 -10.423 2.188 1.00 0.00 C ATOM 1193 NZ LYS B 196 4.813 -10.400 3.572 1.00 0.00 N ATOM 0 H LYS B 196 7.073 -8.429 -1.881 1.00 0.00 H new ATOM 0 HA LYS B 196 8.532 -10.909 -1.506 1.00 0.00 H new ATOM 0 HB2 LYS B 196 8.048 -9.076 0.182 1.00 0.00 H new ATOM 0 HB3 LYS B 196 6.339 -9.454 0.085 1.00 0.00 H new ATOM 0 HG2 LYS B 196 7.067 -11.911 0.702 1.00 0.00 H new ATOM 0 HG3 LYS B 196 8.583 -11.185 1.199 1.00 0.00 H new ATOM 0 HD2 LYS B 196 7.104 -11.272 3.153 1.00 0.00 H new ATOM 0 HD3 LYS B 196 7.297 -9.592 2.691 1.00 0.00 H new ATOM 0 HE2 LYS B 196 5.105 -9.515 1.644 1.00 0.00 H new ATOM 0 HE3 LYS B 196 4.966 -11.261 1.617 1.00 0.00 H new ATOM 0 HZ1 LYS B 196 3.846 -10.018 3.554 1.00 0.00 H new ATOM 0 HZ2 LYS B 196 4.797 -11.367 3.955 1.00 0.00 H new ATOM 0 HZ3 LYS B 196 5.411 -9.799 4.174 1.00 0.00 H new ATOM 1207 N GLN B 197 5.311 -11.148 -2.038 1.00 0.00 N ATOM 1208 CA GLN B 197 4.249 -12.149 -2.359 1.00 0.00 C ATOM 1209 C GLN B 197 4.669 -12.972 -3.579 1.00 0.00 C ATOM 1210 O GLN B 197 4.307 -14.125 -3.717 1.00 0.00 O ATOM 1211 CB GLN B 197 2.996 -11.326 -2.671 1.00 0.00 C ATOM 1212 CG GLN B 197 1.791 -12.259 -2.803 1.00 0.00 C ATOM 1213 CD GLN B 197 1.429 -12.823 -1.427 1.00 0.00 C ATOM 1214 OE1 GLN B 197 2.038 -13.767 -0.965 1.00 0.00 O ATOM 1215 NE2 GLN B 197 0.455 -12.279 -0.749 1.00 0.00 N ATOM 0 H GLN B 197 5.019 -10.173 -2.102 1.00 0.00 H new ATOM 0 HA GLN B 197 4.075 -12.847 -1.540 1.00 0.00 H new ATOM 0 HB2 GLN B 197 2.820 -10.598 -1.879 1.00 0.00 H new ATOM 0 HB3 GLN B 197 3.137 -10.765 -3.595 1.00 0.00 H new ATOM 0 HG2 GLN B 197 0.942 -11.717 -3.221 1.00 0.00 H new ATOM 0 HG3 GLN B 197 2.021 -13.072 -3.492 1.00 0.00 H new ATOM 0 HE21 GLN B 197 -0.056 -11.486 -1.137 1.00 0.00 H new ATOM 0 HE22 GLN B 197 0.205 -12.647 0.169 1.00 0.00 H new ATOM 1224 N GLN B 198 5.437 -12.383 -4.459 1.00 0.00 N ATOM 1225 CA GLN B 198 5.897 -13.122 -5.675 1.00 0.00 C ATOM 1226 C GLN B 198 6.740 -14.328 -5.263 1.00 0.00 C ATOM 1227 O GLN B 198 6.556 -15.424 -5.758 1.00 0.00 O ATOM 1228 CB GLN B 198 6.748 -12.120 -6.461 1.00 0.00 C ATOM 1229 CG GLN B 198 6.859 -12.576 -7.916 1.00 0.00 C ATOM 1230 CD GLN B 198 5.587 -12.188 -8.672 1.00 0.00 C ATOM 1231 OE1 GLN B 198 4.968 -13.017 -9.308 1.00 0.00 O ATOM 1232 NE2 GLN B 198 5.169 -10.954 -8.629 1.00 0.00 N ATOM 0 H GLN B 198 5.767 -11.420 -4.389 1.00 0.00 H new ATOM 0 HA GLN B 198 5.063 -13.496 -6.269 1.00 0.00 H new ATOM 0 HB2 GLN B 198 6.298 -11.128 -6.413 1.00 0.00 H new ATOM 0 HB3 GLN B 198 7.740 -12.042 -6.017 1.00 0.00 H new ATOM 0 HG2 GLN B 198 7.728 -12.117 -8.387 1.00 0.00 H new ATOM 0 HG3 GLN B 198 7.006 -13.655 -7.960 1.00 0.00 H new ATOM 0 HE21 GLN B 198 5.689 -10.258 -8.095 1.00 0.00 H new ATOM 0 HE22 GLN B 198 4.322 -10.685 -9.130 1.00 0.00 H new ATOM 1241 N GLN B 199 7.658 -14.129 -4.356 1.00 0.00 N ATOM 1242 CA GLN B 199 8.521 -15.260 -3.895 1.00 0.00 C ATOM 1243 C GLN B 199 7.662 -16.321 -3.203 1.00 0.00 C ATOM 1244 O GLN B 199 7.857 -17.507 -3.388 1.00 0.00 O ATOM 1245 CB GLN B 199 9.511 -14.640 -2.907 1.00 0.00 C ATOM 1246 CG GLN B 199 10.808 -14.286 -3.637 1.00 0.00 C ATOM 1247 CD GLN B 199 11.564 -13.217 -2.847 1.00 0.00 C ATOM 1248 OE1 GLN B 199 12.466 -13.525 -2.093 1.00 0.00 O ATOM 1249 NE2 GLN B 199 11.231 -11.963 -2.986 1.00 0.00 N ATOM 0 H GLN B 199 7.850 -13.231 -3.912 1.00 0.00 H new ATOM 0 HA GLN B 199 9.035 -15.750 -4.722 1.00 0.00 H new ATOM 0 HB2 GLN B 199 9.080 -13.746 -2.456 1.00 0.00 H new ATOM 0 HB3 GLN B 199 9.717 -15.338 -2.096 1.00 0.00 H new ATOM 0 HG2 GLN B 199 11.428 -15.175 -3.751 1.00 0.00 H new ATOM 0 HG3 GLN B 199 10.585 -13.922 -4.640 1.00 0.00 H new ATOM 0 HE21 GLN B 199 10.474 -11.703 -3.619 1.00 0.00 H new ATOM 0 HE22 GLN B 199 11.728 -11.242 -2.462 1.00 0.00 H new ATOM 1258 N LEU B 200 6.710 -15.897 -2.410 1.00 0.00 N ATOM 1259 CA LEU B 200 5.826 -16.874 -1.705 1.00 0.00 C ATOM 1260 C LEU B 200 4.876 -17.530 -2.707 1.00 0.00 C ATOM 1261 O LEU B 200 4.512 -18.683 -2.567 1.00 0.00 O ATOM 1262 CB LEU B 200 5.044 -16.047 -0.682 1.00 0.00 C ATOM 1263 CG LEU B 200 4.253 -16.982 0.234 1.00 0.00 C ATOM 1264 CD1 LEU B 200 5.212 -17.685 1.196 1.00 0.00 C ATOM 1265 CD2 LEU B 200 3.235 -16.165 1.034 1.00 0.00 C ATOM 0 H LEU B 200 6.507 -14.916 -2.221 1.00 0.00 H new ATOM 0 HA LEU B 200 6.391 -17.673 -1.226 1.00 0.00 H new ATOM 0 HB2 LEU B 200 5.728 -15.437 -0.093 1.00 0.00 H new ATOM 0 HB3 LEU B 200 4.367 -15.363 -1.193 1.00 0.00 H new ATOM 0 HG LEU B 200 3.732 -17.727 -0.367 1.00 0.00 H new ATOM 0 HD11 LEU B 200 4.649 -18.351 1.849 1.00 0.00 H new ATOM 0 HD12 LEU B 200 5.939 -18.264 0.627 1.00 0.00 H new ATOM 0 HD13 LEU B 200 5.733 -16.941 1.799 1.00 0.00 H new ATOM 0 HD21 LEU B 200 2.669 -16.829 1.688 1.00 0.00 H new ATOM 0 HD22 LEU B 200 3.758 -15.421 1.636 1.00 0.00 H new ATOM 0 HD23 LEU B 200 2.552 -15.663 0.349 1.00 0.00 H new ATOM 1277 N GLU B 201 4.478 -16.804 -3.721 1.00 0.00 N ATOM 1278 CA GLU B 201 3.555 -17.378 -4.744 1.00 0.00 C ATOM 1279 C GLU B 201 4.329 -18.313 -5.674 1.00 0.00 C ATOM 1280 O GLU B 201 3.803 -19.298 -6.157 1.00 0.00 O ATOM 1281 CB GLU B 201 3.011 -16.177 -5.519 1.00 0.00 C ATOM 1282 CG GLU B 201 1.745 -15.658 -4.835 1.00 0.00 C ATOM 1283 CD GLU B 201 0.887 -14.903 -5.852 1.00 0.00 C ATOM 1284 OE1 GLU B 201 0.248 -15.557 -6.659 1.00 0.00 O ATOM 1285 OE2 GLU B 201 0.885 -13.684 -5.806 1.00 0.00 O ATOM 0 H GLU B 201 4.754 -15.836 -3.884 1.00 0.00 H new ATOM 0 HA GLU B 201 2.751 -17.962 -4.295 1.00 0.00 H new ATOM 0 HB2 GLU B 201 3.762 -15.389 -5.563 1.00 0.00 H new ATOM 0 HB3 GLU B 201 2.790 -16.464 -6.547 1.00 0.00 H new ATOM 0 HG2 GLU B 201 1.180 -16.489 -4.413 1.00 0.00 H new ATOM 0 HG3 GLU B 201 2.010 -15.000 -4.007 1.00 0.00 H new