USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 598 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 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -0.0265 X(o=-0.026,f=-0.19) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0.773 (180deg=0.773) USER MOD Single : B 160 SER OG : rot 35:sc= 0.259 USER MOD Single : B 168 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 170 THR OG1 : rot -84:sc= 0.703 USER MOD Single : B 172 GLN : amide:sc= 0.141 X(o=0.14,f=0) USER MOD Single : B 177 ASN : amide:sc= -0.0218 X(o=-0.022,f=-0.17) USER MOD Single : B 180 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : B 183 THR OG1 : rot 76:sc= 1.04 USER MOD Single : B 184 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 186 MET CE :methyl 163:sc= -0.266 (180deg=-0.923) USER MOD Single : B 187 GLN : amide:sc= -0.238 X(o=-0.24,f=-0.24) USER MOD Single : B 188 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 190 GLN : amide:sc= 0.889 K(o=0.89,f=0) USER MOD Single : B 192 ASN : amide:sc= 0.959 K(o=0.96,f=-3.1) USER MOD Single : B 193 TYR OH : rot 180:sc= 0 USER MOD Single : B 194 GLN : amide:sc= 0 K(o=0,f=-2.7!) USER MOD Single : B 201 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : B 202 HIS : no HD1:sc= -0.225 K(o=-0.22,f=-1.3) USER MOD Single : B 203 SER OG : rot 180:sc= 0 USER MOD Single : B 206 ASN : amide:sc= -0.284 X(o=-0.28,f=-0.46) USER MOD Single : B 207 TYR OH : rot 180:sc= 0 USER MOD Single : B 209 THR OG1 : rot 180:sc= 0 USER MOD Single : B 210 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 214 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 215 TYR OH : rot 180:sc= 0 USER MOD Single : B 216 THR OG1 : rot 180:sc= -0.0693 USER MOD ----------------------------------------------------------------- ATOM 131 N GLU A 80 -11.281 -11.841 1.983 1.00 0.00 N ATOM 132 CA GLU A 80 -10.972 -10.505 1.487 1.00 0.00 C ATOM 133 C GLU A 80 -10.028 -9.790 2.453 1.00 0.00 C ATOM 134 O GLU A 80 -8.951 -9.377 2.037 1.00 0.00 O ATOM 135 CB GLU A 80 -12.254 -9.722 1.155 1.00 0.00 C ATOM 136 CG GLU A 80 -13.255 -9.585 2.315 1.00 0.00 C ATOM 137 CD GLU A 80 -14.633 -9.046 1.903 1.00 0.00 C ATOM 138 OE1 GLU A 80 -14.893 -8.704 0.727 1.00 0.00 O ATOM 139 OE2 GLU A 80 -15.541 -9.044 2.762 1.00 0.00 O ATOM 0 HA GLU A 80 -10.437 -10.581 0.540 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.974 -8.724 0.817 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -12.754 -10.212 0.320 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -13.385 -10.560 2.784 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -12.830 -8.923 3.069 1.00 0.00 H new ATOM 146 N PHE A 81 -10.379 -9.702 3.741 1.00 0.00 N ATOM 147 CA PHE A 81 -9.556 -9.037 4.749 1.00 0.00 C ATOM 148 C PHE A 81 -8.201 -9.725 4.925 1.00 0.00 C ATOM 149 O PHE A 81 -7.186 -9.044 5.059 1.00 0.00 O ATOM 150 CB PHE A 81 -10.302 -8.970 6.087 1.00 0.00 C ATOM 151 CG PHE A 81 -11.468 -8.002 6.066 1.00 0.00 C ATOM 152 CD1 PHE A 81 -11.245 -6.632 6.285 1.00 0.00 C ATOM 153 CD2 PHE A 81 -12.767 -8.454 5.772 1.00 0.00 C ATOM 154 CE1 PHE A 81 -12.311 -5.720 6.216 1.00 0.00 C ATOM 155 CE2 PHE A 81 -13.837 -7.544 5.703 1.00 0.00 C ATOM 156 CZ PHE A 81 -13.609 -6.175 5.930 1.00 0.00 C ATOM 0 H PHE A 81 -11.245 -10.092 4.111 1.00 0.00 H new ATOM 0 HA PHE A 81 -9.363 -8.023 4.398 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -10.667 -9.965 6.344 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -9.605 -8.674 6.871 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -10.249 -6.279 6.507 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -12.944 -9.505 5.598 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -12.133 -4.668 6.383 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -14.832 -7.896 5.476 1.00 0.00 H new ATOM 0 HZ PHE A 81 -14.430 -5.475 5.885 1.00 0.00 H new ATOM 166 N ALA A 82 -8.169 -11.060 4.897 1.00 0.00 N ATOM 167 CA ALA A 82 -6.934 -11.814 5.064 1.00 0.00 C ATOM 168 C ALA A 82 -5.922 -11.447 3.984 1.00 0.00 C ATOM 169 O ALA A 82 -4.764 -11.126 4.279 1.00 0.00 O ATOM 170 CB ALA A 82 -7.222 -13.320 5.055 1.00 0.00 C ATOM 0 H ALA A 82 -8.996 -11.641 4.759 1.00 0.00 H new ATOM 0 HA ALA A 82 -6.501 -11.553 6.030 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.289 -13.870 5.181 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -7.901 -13.566 5.872 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -7.681 -13.597 4.106 1.00 0.00 H new ATOM 176 N GLU A 83 -6.371 -11.501 2.733 1.00 0.00 N ATOM 177 CA GLU A 83 -5.566 -11.184 1.568 1.00 0.00 C ATOM 178 C GLU A 83 -5.197 -9.698 1.556 1.00 0.00 C ATOM 179 O GLU A 83 -4.058 -9.339 1.257 1.00 0.00 O ATOM 180 CB GLU A 83 -6.387 -11.564 0.342 1.00 0.00 C ATOM 181 CG GLU A 83 -5.661 -11.301 -0.974 1.00 0.00 C ATOM 182 CD GLU A 83 -4.606 -12.348 -1.296 1.00 0.00 C ATOM 183 OE1 GLU A 83 -3.753 -12.657 -0.436 1.00 0.00 O ATOM 184 OE2 GLU A 83 -4.701 -12.940 -2.393 1.00 0.00 O ATOM 0 H GLU A 83 -7.326 -11.773 2.501 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.627 -11.738 1.579 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.647 -12.621 0.401 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.322 -11.004 0.351 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -6.390 -11.268 -1.784 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -5.188 -10.320 -0.931 1.00 0.00 H new ATOM 191 N PHE A 84 -6.149 -8.833 1.908 1.00 0.00 N ATOM 192 CA PHE A 84 -5.960 -7.395 1.956 1.00 0.00 C ATOM 193 C PHE A 84 -4.788 -7.073 2.878 1.00 0.00 C ATOM 194 O PHE A 84 -3.813 -6.452 2.453 1.00 0.00 O ATOM 195 CB PHE A 84 -7.266 -6.747 2.415 1.00 0.00 C ATOM 196 CG PHE A 84 -7.206 -5.248 2.476 1.00 0.00 C ATOM 197 CD1 PHE A 84 -7.134 -4.530 1.274 1.00 0.00 C ATOM 198 CD2 PHE A 84 -7.224 -4.572 3.711 1.00 0.00 C ATOM 199 CE1 PHE A 84 -7.055 -3.133 1.301 1.00 0.00 C ATOM 200 CE2 PHE A 84 -7.167 -3.169 3.733 1.00 0.00 C ATOM 201 CZ PHE A 84 -7.077 -2.450 2.528 1.00 0.00 C ATOM 0 H PHE A 84 -7.090 -9.125 2.172 1.00 0.00 H new ATOM 0 HA PHE A 84 -5.716 -6.993 0.973 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -8.066 -7.043 1.737 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -7.526 -7.132 3.401 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -7.139 -5.054 0.329 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -7.281 -5.129 4.635 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -6.977 -2.579 0.377 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -7.192 -2.642 4.675 1.00 0.00 H new ATOM 0 HZ PHE A 84 -7.025 -1.371 2.546 1.00 0.00 H new ATOM 211 N TYR A 85 -4.841 -7.546 4.127 1.00 0.00 N ATOM 212 CA TYR A 85 -3.768 -7.314 5.077 1.00 0.00 C ATOM 213 C TYR A 85 -2.462 -7.987 4.623 1.00 0.00 C ATOM 214 O TYR A 85 -1.386 -7.517 4.997 1.00 0.00 O ATOM 215 CB TYR A 85 -4.184 -7.757 6.477 1.00 0.00 C ATOM 216 CG TYR A 85 -5.114 -6.801 7.200 1.00 0.00 C ATOM 217 CD1 TYR A 85 -4.676 -5.489 7.484 1.00 0.00 C ATOM 218 CD2 TYR A 85 -6.368 -7.243 7.666 1.00 0.00 C ATOM 219 CE1 TYR A 85 -5.460 -4.640 8.284 1.00 0.00 C ATOM 220 CE2 TYR A 85 -7.162 -6.395 8.458 1.00 0.00 C ATOM 221 CZ TYR A 85 -6.690 -5.107 8.801 1.00 0.00 C ATOM 222 OH TYR A 85 -7.437 -4.320 9.623 1.00 0.00 O ATOM 0 H TYR A 85 -5.620 -8.091 4.496 1.00 0.00 H new ATOM 0 HA TYR A 85 -3.572 -6.242 5.116 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -4.671 -8.729 6.405 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -3.287 -7.894 7.080 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -3.736 -5.137 7.085 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -6.719 -8.233 7.415 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -5.125 -3.637 8.502 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -8.130 -6.727 8.804 1.00 0.00 H new ATOM 0 HH TYR A 85 -8.251 -4.799 9.883 1.00 0.00 H new ATOM 232 N ASN A 86 -2.532 -9.067 3.830 1.00 0.00 N ATOM 233 CA ASN A 86 -1.360 -9.770 3.307 1.00 0.00 C ATOM 234 C ASN A 86 -0.624 -8.827 2.360 1.00 0.00 C ATOM 235 O ASN A 86 0.581 -8.619 2.493 1.00 0.00 O ATOM 236 CB ASN A 86 -1.748 -11.053 2.543 1.00 0.00 C ATOM 237 CG ASN A 86 -1.178 -12.297 3.188 1.00 0.00 C ATOM 238 OD1 ASN A 86 -0.005 -12.343 3.557 1.00 0.00 O ATOM 239 ND2 ASN A 86 -2.001 -13.313 3.362 1.00 0.00 N ATOM 0 H ASN A 86 -3.417 -9.478 3.533 1.00 0.00 H new ATOM 0 HA ASN A 86 -0.730 -10.065 4.146 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.834 -11.133 2.500 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -1.392 -10.983 1.515 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -1.670 -14.166 3.813 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -2.968 -13.246 3.046 1.00 0.00 H new ATOM 246 N ARG A 87 -1.344 -8.244 1.399 1.00 0.00 N ATOM 247 CA ARG A 87 -0.784 -7.305 0.434 1.00 0.00 C ATOM 248 C ARG A 87 -0.321 -6.059 1.186 1.00 0.00 C ATOM 249 O ARG A 87 0.778 -5.581 0.918 1.00 0.00 O ATOM 250 CB ARG A 87 -1.845 -6.975 -0.631 1.00 0.00 C ATOM 251 CG ARG A 87 -2.127 -8.117 -1.623 1.00 0.00 C ATOM 252 CD ARG A 87 -1.744 -7.734 -3.063 1.00 0.00 C ATOM 253 NE ARG A 87 -1.594 -8.890 -3.966 1.00 0.00 N ATOM 254 CZ ARG A 87 -2.540 -9.726 -4.410 1.00 0.00 C ATOM 255 NH1 ARG A 87 -3.784 -9.623 -3.954 1.00 0.00 N ATOM 256 NH2 ARG A 87 -2.250 -10.664 -5.306 1.00 0.00 N ATOM 0 H ARG A 87 -2.341 -8.414 1.271 1.00 0.00 H new ATOM 0 HA ARG A 87 0.075 -7.736 -0.081 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.775 -6.708 -0.129 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -1.521 -6.097 -1.189 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -1.570 -9.004 -1.323 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.185 -8.377 -1.586 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.505 -7.066 -3.466 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -0.808 -7.176 -3.044 1.00 0.00 H new ATOM 0 HE ARG A 87 -0.647 -9.077 -4.295 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -4.017 -8.907 -3.266 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -4.505 -10.260 -4.292 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -1.298 -10.752 -5.662 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -2.979 -11.296 -5.637 1.00 0.00 H new ATOM 270 N LEU A 88 -1.086 -5.551 2.164 1.00 0.00 N ATOM 271 CA LEU A 88 -0.671 -4.373 2.936 1.00 0.00 C ATOM 272 C LEU A 88 0.695 -4.600 3.579 1.00 0.00 C ATOM 273 O LEU A 88 1.477 -3.661 3.696 1.00 0.00 O ATOM 274 CB LEU A 88 -1.678 -4.020 4.044 1.00 0.00 C ATOM 275 CG LEU A 88 -2.772 -3.031 3.620 1.00 0.00 C ATOM 276 CD1 LEU A 88 -3.891 -3.015 4.664 1.00 0.00 C ATOM 277 CD2 LEU A 88 -2.170 -1.623 3.524 1.00 0.00 C ATOM 0 H LEU A 88 -1.990 -5.936 2.437 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.622 -3.545 2.229 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -2.151 -4.938 4.393 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.135 -3.600 4.890 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.175 -3.337 2.655 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.665 -2.311 4.357 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.322 -4.012 4.751 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.485 -2.710 5.628 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.943 -0.916 3.223 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.770 -1.331 4.495 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.368 -1.620 2.786 1.00 0.00 H new ATOM 289 N LYS A 89 0.975 -5.815 4.046 1.00 0.00 N ATOM 290 CA LYS A 89 2.235 -6.205 4.670 1.00 0.00 C ATOM 291 C LYS A 89 3.347 -6.270 3.621 1.00 0.00 C ATOM 292 O LYS A 89 4.465 -5.826 3.906 1.00 0.00 O ATOM 293 CB LYS A 89 1.985 -7.543 5.385 1.00 0.00 C ATOM 294 CG LYS A 89 3.209 -8.315 5.874 1.00 0.00 C ATOM 295 CD LYS A 89 2.737 -9.435 6.807 1.00 0.00 C ATOM 296 CE LYS A 89 3.888 -10.400 7.079 1.00 0.00 C ATOM 297 NZ LYS A 89 3.422 -11.701 7.593 1.00 0.00 N ATOM 0 H LYS A 89 0.305 -6.582 3.998 1.00 0.00 H new ATOM 0 HA LYS A 89 2.574 -5.474 5.404 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.342 -7.352 6.244 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.427 -8.189 4.707 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.756 -8.732 5.029 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.893 -7.648 6.399 1.00 0.00 H new ATOM 0 HD2 LYS A 89 2.376 -9.012 7.744 1.00 0.00 H new ATOM 0 HD3 LYS A 89 1.901 -9.969 6.355 1.00 0.00 H new ATOM 0 HE2 LYS A 89 4.452 -10.557 6.159 1.00 0.00 H new ATOM 0 HE3 LYS A 89 4.572 -9.952 7.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 4.240 -12.321 7.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 2.906 -11.557 8.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 2.790 -12.144 6.895 1.00 0.00 H new ATOM 311 N GLN A 90 3.049 -6.787 2.426 1.00 0.00 N ATOM 312 CA GLN A 90 3.979 -6.929 1.325 1.00 0.00 C ATOM 313 C GLN A 90 4.443 -5.554 0.818 1.00 0.00 C ATOM 314 O GLN A 90 5.643 -5.336 0.658 1.00 0.00 O ATOM 315 CB GLN A 90 3.339 -7.866 0.276 1.00 0.00 C ATOM 316 CG GLN A 90 2.919 -7.235 -1.045 1.00 0.00 C ATOM 317 CD GLN A 90 2.545 -8.306 -2.060 1.00 0.00 C ATOM 318 OE1 GLN A 90 1.381 -8.672 -2.204 1.00 0.00 O ATOM 319 NE2 GLN A 90 3.536 -8.862 -2.733 1.00 0.00 N ATOM 0 H GLN A 90 2.115 -7.128 2.200 1.00 0.00 H new ATOM 0 HA GLN A 90 4.910 -7.406 1.632 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.046 -8.667 0.060 1.00 0.00 H new ATOM 0 HB3 GLN A 90 2.461 -8.329 0.725 1.00 0.00 H new ATOM 0 HG2 GLN A 90 2.071 -6.570 -0.882 1.00 0.00 H new ATOM 0 HG3 GLN A 90 3.733 -6.624 -1.437 1.00 0.00 H new ATOM 0 HE21 GLN A 90 4.493 -8.537 -2.593 1.00 0.00 H new ATOM 0 HE22 GLN A 90 3.345 -9.616 -3.393 1.00 0.00 H new ATOM 328 N ILE A 91 3.516 -4.604 0.639 1.00 0.00 N ATOM 329 CA ILE A 91 3.812 -3.252 0.158 1.00 0.00 C ATOM 330 C ILE A 91 4.860 -2.594 1.059 1.00 0.00 C ATOM 331 O ILE A 91 5.793 -1.968 0.554 1.00 0.00 O ATOM 332 CB ILE A 91 2.507 -2.417 0.065 1.00 0.00 C ATOM 333 CG1 ILE A 91 1.605 -2.954 -1.069 1.00 0.00 C ATOM 334 CG2 ILE A 91 2.787 -0.918 -0.173 1.00 0.00 C ATOM 335 CD1 ILE A 91 0.191 -2.360 -1.063 1.00 0.00 C ATOM 0 H ILE A 91 2.525 -4.757 0.828 1.00 0.00 H new ATOM 0 HA ILE A 91 4.232 -3.305 -0.847 1.00 0.00 H new ATOM 0 HB ILE A 91 1.999 -2.516 1.024 1.00 0.00 H new ATOM 0 HG12 ILE A 91 2.076 -2.740 -2.028 1.00 0.00 H new ATOM 0 HG13 ILE A 91 1.535 -4.038 -0.983 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.843 -0.376 -0.231 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.382 -0.524 0.651 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.334 -0.794 -1.107 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.385 -2.783 -1.886 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.299 -2.596 -0.118 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.250 -1.278 -1.180 1.00 0.00 H new ATOM 347 N LYS A 92 4.731 -2.750 2.387 1.00 0.00 N ATOM 348 CA LYS A 92 5.673 -2.144 3.326 1.00 0.00 C ATOM 349 C LYS A 92 7.097 -2.535 2.979 1.00 0.00 C ATOM 350 O LYS A 92 7.926 -1.649 2.794 1.00 0.00 O ATOM 351 CB LYS A 92 5.388 -2.470 4.805 1.00 0.00 C ATOM 352 CG LYS A 92 3.903 -2.498 5.177 1.00 0.00 C ATOM 353 CD LYS A 92 3.640 -2.197 6.658 1.00 0.00 C ATOM 354 CE LYS A 92 2.165 -1.872 6.923 1.00 0.00 C ATOM 355 NZ LYS A 92 1.234 -2.945 6.515 1.00 0.00 N ATOM 0 H LYS A 92 3.985 -3.289 2.827 1.00 0.00 H new ATOM 0 HA LYS A 92 5.540 -1.068 3.218 1.00 0.00 H new ATOM 0 HB2 LYS A 92 5.826 -3.440 5.041 1.00 0.00 H new ATOM 0 HB3 LYS A 92 5.892 -1.732 5.430 1.00 0.00 H new ATOM 0 HG2 LYS A 92 3.369 -1.770 4.566 1.00 0.00 H new ATOM 0 HG3 LYS A 92 3.494 -3.479 4.935 1.00 0.00 H new ATOM 0 HD2 LYS A 92 3.936 -3.055 7.261 1.00 0.00 H new ATOM 0 HD3 LYS A 92 4.259 -1.357 6.973 1.00 0.00 H new ATOM 0 HE2 LYS A 92 2.032 -1.674 7.987 1.00 0.00 H new ATOM 0 HE3 LYS A 92 1.904 -0.956 6.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 0.257 -2.655 6.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 1.332 -3.120 5.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 1.456 -3.815 7.039 1.00 0.00 H new ATOM 1028 N SER B 160 3.586 9.643 -1.646 1.00 0.00 N ATOM 1029 CA SER B 160 4.701 8.726 -1.477 1.00 0.00 C ATOM 1030 C SER B 160 4.368 7.436 -2.243 1.00 0.00 C ATOM 1031 O SER B 160 3.199 7.049 -2.356 1.00 0.00 O ATOM 1032 CB SER B 160 4.889 8.456 0.020 1.00 0.00 C ATOM 1033 OG SER B 160 4.945 9.680 0.737 1.00 0.00 O ATOM 0 HA SER B 160 5.630 9.141 -1.868 1.00 0.00 H new ATOM 0 HB2 SER B 160 4.067 7.845 0.393 1.00 0.00 H new ATOM 0 HB3 SER B 160 5.806 7.889 0.182 1.00 0.00 H new ATOM 0 HG SER B 160 4.345 10.332 0.319 1.00 0.00 H new ATOM 1039 N ALA B 161 5.390 6.736 -2.746 1.00 0.00 N ATOM 1040 CA ALA B 161 5.221 5.498 -3.509 1.00 0.00 C ATOM 1041 C ALA B 161 4.470 4.422 -2.720 1.00 0.00 C ATOM 1042 O ALA B 161 3.747 3.628 -3.325 1.00 0.00 O ATOM 1043 CB ALA B 161 6.599 4.985 -3.950 1.00 0.00 C ATOM 0 H ALA B 161 6.364 7.016 -2.633 1.00 0.00 H new ATOM 0 HA ALA B 161 4.611 5.721 -4.384 1.00 0.00 H new ATOM 0 HB1 ALA B 161 6.479 4.063 -4.519 1.00 0.00 H new ATOM 0 HB2 ALA B 161 7.084 5.736 -4.574 1.00 0.00 H new ATOM 0 HB3 ALA B 161 7.214 4.792 -3.071 1.00 0.00 H new ATOM 1049 N PHE B 162 4.635 4.407 -1.396 1.00 0.00 N ATOM 1050 CA PHE B 162 3.988 3.469 -0.492 1.00 0.00 C ATOM 1051 C PHE B 162 2.484 3.760 -0.467 1.00 0.00 C ATOM 1052 O PHE B 162 1.677 2.906 -0.832 1.00 0.00 O ATOM 1053 CB PHE B 162 4.652 3.609 0.899 1.00 0.00 C ATOM 1054 CG PHE B 162 4.308 2.605 1.998 1.00 0.00 C ATOM 1055 CD1 PHE B 162 2.996 2.134 2.216 1.00 0.00 C ATOM 1056 CD2 PHE B 162 5.322 2.210 2.897 1.00 0.00 C ATOM 1057 CE1 PHE B 162 2.707 1.272 3.286 1.00 0.00 C ATOM 1058 CE2 PHE B 162 5.031 1.365 3.983 1.00 0.00 C ATOM 1059 CZ PHE B 162 3.722 0.893 4.172 1.00 0.00 C ATOM 0 H PHE B 162 5.242 5.070 -0.914 1.00 0.00 H new ATOM 0 HA PHE B 162 4.108 2.436 -0.820 1.00 0.00 H new ATOM 0 HB2 PHE B 162 5.731 3.575 0.751 1.00 0.00 H new ATOM 0 HB3 PHE B 162 4.413 4.603 1.277 1.00 0.00 H new ATOM 0 HD1 PHE B 162 2.203 2.441 1.550 1.00 0.00 H new ATOM 0 HD2 PHE B 162 6.333 2.561 2.749 1.00 0.00 H new ATOM 0 HE1 PHE B 162 1.702 0.902 3.425 1.00 0.00 H new ATOM 0 HE2 PHE B 162 5.813 1.080 4.671 1.00 0.00 H new ATOM 0 HZ PHE B 162 3.499 0.238 5.001 1.00 0.00 H new ATOM 1069 N ASP B 163 2.110 4.972 -0.046 1.00 0.00 N ATOM 1070 CA ASP B 163 0.733 5.445 0.084 1.00 0.00 C ATOM 1071 C ASP B 163 -0.053 5.248 -1.209 1.00 0.00 C ATOM 1072 O ASP B 163 -1.237 4.912 -1.180 1.00 0.00 O ATOM 1073 CB ASP B 163 0.723 6.927 0.488 1.00 0.00 C ATOM 1074 CG ASP B 163 1.249 7.204 1.892 1.00 0.00 C ATOM 1075 OD1 ASP B 163 2.423 6.859 2.166 1.00 0.00 O ATOM 1076 OD2 ASP B 163 0.544 7.841 2.703 1.00 0.00 O ATOM 0 H ASP B 163 2.792 5.681 0.225 1.00 0.00 H new ATOM 0 HA ASP B 163 0.248 4.854 0.861 1.00 0.00 H new ATOM 0 HB2 ASP B 163 1.322 7.490 -0.228 1.00 0.00 H new ATOM 0 HB3 ASP B 163 -0.297 7.303 0.415 1.00 0.00 H new ATOM 1081 N LEU B 164 0.612 5.440 -2.344 1.00 0.00 N ATOM 1082 CA LEU B 164 0.069 5.293 -3.685 1.00 0.00 C ATOM 1083 C LEU B 164 -0.392 3.862 -3.947 1.00 0.00 C ATOM 1084 O LEU B 164 -1.494 3.643 -4.456 1.00 0.00 O ATOM 1085 CB LEU B 164 1.198 5.681 -4.643 1.00 0.00 C ATOM 1086 CG LEU B 164 0.910 5.466 -6.129 1.00 0.00 C ATOM 1087 CD1 LEU B 164 -0.195 6.379 -6.657 1.00 0.00 C ATOM 1088 CD2 LEU B 164 2.212 5.708 -6.885 1.00 0.00 C ATOM 0 H LEU B 164 1.594 5.716 -2.351 1.00 0.00 H new ATOM 0 HA LEU B 164 -0.808 5.925 -3.820 1.00 0.00 H new ATOM 0 HB2 LEU B 164 1.437 6.733 -4.487 1.00 0.00 H new ATOM 0 HB3 LEU B 164 2.087 5.109 -4.378 1.00 0.00 H new ATOM 0 HG LEU B 164 0.548 4.448 -6.277 1.00 0.00 H new ATOM 0 HD11 LEU B 164 -0.355 6.181 -7.717 1.00 0.00 H new ATOM 0 HD12 LEU B 164 -1.118 6.188 -6.109 1.00 0.00 H new ATOM 0 HD13 LEU B 164 0.098 7.420 -6.523 1.00 0.00 H new ATOM 0 HD21 LEU B 164 2.045 5.563 -7.952 1.00 0.00 H new ATOM 0 HD22 LEU B 164 2.553 6.728 -6.706 1.00 0.00 H new ATOM 0 HD23 LEU B 164 2.970 5.006 -6.538 1.00 0.00 H new ATOM 1100 N ASP B 165 0.483 2.899 -3.654 1.00 0.00 N ATOM 1101 CA ASP B 165 0.215 1.480 -3.850 1.00 0.00 C ATOM 1102 C ASP B 165 -0.915 1.028 -2.922 1.00 0.00 C ATOM 1103 O ASP B 165 -1.772 0.242 -3.318 1.00 0.00 O ATOM 1104 CB ASP B 165 1.510 0.692 -3.629 1.00 0.00 C ATOM 1105 CG ASP B 165 1.494 -0.667 -4.328 1.00 0.00 C ATOM 1106 OD1 ASP B 165 0.610 -1.510 -4.102 1.00 0.00 O ATOM 1107 OD2 ASP B 165 2.391 -0.913 -5.172 1.00 0.00 O ATOM 0 H ASP B 165 1.408 3.089 -3.269 1.00 0.00 H new ATOM 0 HA ASP B 165 -0.120 1.291 -4.870 1.00 0.00 H new ATOM 0 HB2 ASP B 165 2.354 1.276 -3.996 1.00 0.00 H new ATOM 0 HB3 ASP B 165 1.665 0.545 -2.560 1.00 0.00 H new ATOM 1112 N VAL B 166 -0.974 1.576 -1.704 1.00 0.00 N ATOM 1113 CA VAL B 166 -1.999 1.266 -0.711 1.00 0.00 C ATOM 1114 C VAL B 166 -3.371 1.619 -1.301 1.00 0.00 C ATOM 1115 O VAL B 166 -4.278 0.784 -1.263 1.00 0.00 O ATOM 1116 CB VAL B 166 -1.650 1.995 0.607 1.00 0.00 C ATOM 1117 CG1 VAL B 166 -2.784 2.100 1.631 1.00 0.00 C ATOM 1118 CG2 VAL B 166 -0.463 1.305 1.293 1.00 0.00 C ATOM 0 H VAL B 166 -0.294 2.262 -1.377 1.00 0.00 H new ATOM 0 HA VAL B 166 -2.038 0.205 -0.465 1.00 0.00 H new ATOM 0 HB VAL B 166 -1.420 3.013 0.293 1.00 0.00 H new ATOM 0 HG11 VAL B 166 -2.428 2.629 2.515 1.00 0.00 H new ATOM 0 HG12 VAL B 166 -3.620 2.646 1.194 1.00 0.00 H new ATOM 0 HG13 VAL B 166 -3.112 1.100 1.914 1.00 0.00 H new ATOM 0 HG21 VAL B 166 -0.225 1.826 2.220 1.00 0.00 H new ATOM 0 HG22 VAL B 166 -0.723 0.270 1.515 1.00 0.00 H new ATOM 0 HG23 VAL B 166 0.403 1.328 0.632 1.00 0.00 H new ATOM 1128 N VAL B 167 -3.530 2.819 -1.873 1.00 0.00 N ATOM 1129 CA VAL B 167 -4.792 3.248 -2.478 1.00 0.00 C ATOM 1130 C VAL B 167 -5.156 2.289 -3.612 1.00 0.00 C ATOM 1131 O VAL B 167 -6.304 1.849 -3.697 1.00 0.00 O ATOM 1132 CB VAL B 167 -4.682 4.715 -2.954 1.00 0.00 C ATOM 1133 CG1 VAL B 167 -5.944 5.181 -3.691 1.00 0.00 C ATOM 1134 CG2 VAL B 167 -4.469 5.666 -1.768 1.00 0.00 C ATOM 0 H VAL B 167 -2.788 3.517 -1.928 1.00 0.00 H new ATOM 0 HA VAL B 167 -5.596 3.215 -1.743 1.00 0.00 H new ATOM 0 HB VAL B 167 -3.829 4.744 -3.632 1.00 0.00 H new ATOM 0 HG11 VAL B 167 -5.820 6.217 -4.006 1.00 0.00 H new ATOM 0 HG12 VAL B 167 -6.107 4.553 -4.567 1.00 0.00 H new ATOM 0 HG13 VAL B 167 -6.803 5.105 -3.025 1.00 0.00 H new ATOM 0 HG21 VAL B 167 -4.395 6.691 -2.132 1.00 0.00 H new ATOM 0 HG22 VAL B 167 -5.311 5.585 -1.081 1.00 0.00 H new ATOM 0 HG23 VAL B 167 -3.549 5.399 -1.248 1.00 0.00 H new ATOM 1144 N LYS B 168 -4.197 1.953 -4.479 1.00 0.00 N ATOM 1145 CA LYS B 168 -4.419 1.044 -5.601 1.00 0.00 C ATOM 1146 C LYS B 168 -4.834 -0.352 -5.138 1.00 0.00 C ATOM 1147 O LYS B 168 -5.652 -0.973 -5.822 1.00 0.00 O ATOM 1148 CB LYS B 168 -3.149 0.999 -6.454 1.00 0.00 C ATOM 1149 CG LYS B 168 -3.174 2.140 -7.474 1.00 0.00 C ATOM 1150 CD LYS B 168 -1.782 2.429 -8.036 1.00 0.00 C ATOM 1151 CE LYS B 168 -1.886 2.845 -9.504 1.00 0.00 C ATOM 1152 NZ LYS B 168 -1.694 1.698 -10.415 1.00 0.00 N ATOM 0 H LYS B 168 -3.242 2.306 -4.420 1.00 0.00 H new ATOM 0 HA LYS B 168 -5.248 1.419 -6.201 1.00 0.00 H new ATOM 0 HB2 LYS B 168 -2.268 1.086 -5.818 1.00 0.00 H new ATOM 0 HB3 LYS B 168 -3.078 0.040 -6.968 1.00 0.00 H new ATOM 0 HG2 LYS B 168 -3.849 1.883 -8.290 1.00 0.00 H new ATOM 0 HG3 LYS B 168 -3.570 3.040 -7.003 1.00 0.00 H new ATOM 0 HD2 LYS B 168 -1.305 3.221 -7.458 1.00 0.00 H new ATOM 0 HD3 LYS B 168 -1.153 1.544 -7.944 1.00 0.00 H new ATOM 0 HE2 LYS B 168 -2.862 3.294 -9.686 1.00 0.00 H new ATOM 0 HE3 LYS B 168 -1.139 3.609 -9.719 1.00 0.00 H new ATOM 0 HZ1 LYS B 168 -1.772 2.021 -11.401 1.00 0.00 H new ATOM 0 HZ2 LYS B 168 -0.752 1.285 -10.259 1.00 0.00 H new ATOM 0 HZ3 LYS B 168 -2.423 0.980 -10.227 1.00 0.00 H new ATOM 1166 N LEU B 169 -4.297 -0.869 -4.035 1.00 0.00 N ATOM 1167 CA LEU B 169 -4.642 -2.182 -3.498 1.00 0.00 C ATOM 1168 C LEU B 169 -6.121 -2.158 -3.136 1.00 0.00 C ATOM 1169 O LEU B 169 -6.908 -2.947 -3.659 1.00 0.00 O ATOM 1170 CB LEU B 169 -3.765 -2.472 -2.265 1.00 0.00 C ATOM 1171 CG LEU B 169 -3.758 -3.910 -1.689 1.00 0.00 C ATOM 1172 CD1 LEU B 169 -3.499 -3.831 -0.182 1.00 0.00 C ATOM 1173 CD2 LEU B 169 -4.989 -4.790 -1.896 1.00 0.00 C ATOM 0 H LEU B 169 -3.597 -0.377 -3.480 1.00 0.00 H new ATOM 0 HA LEU B 169 -4.462 -2.972 -4.227 1.00 0.00 H new ATOM 0 HB2 LEU B 169 -2.738 -2.211 -2.519 1.00 0.00 H new ATOM 0 HB3 LEU B 169 -4.078 -1.797 -1.469 1.00 0.00 H new ATOM 0 HG LEU B 169 -2.977 -4.401 -2.270 1.00 0.00 H new ATOM 0 HD11 LEU B 169 -3.491 -4.836 0.239 1.00 0.00 H new ATOM 0 HD12 LEU B 169 -2.535 -3.355 -0.003 1.00 0.00 H new ATOM 0 HD13 LEU B 169 -4.286 -3.245 0.292 1.00 0.00 H new ATOM 0 HD21 LEU B 169 -4.823 -5.763 -1.433 1.00 0.00 H new ATOM 0 HD22 LEU B 169 -5.857 -4.315 -1.439 1.00 0.00 H new ATOM 0 HD23 LEU B 169 -5.167 -4.922 -2.963 1.00 0.00 H new ATOM 1185 N THR B 170 -6.514 -1.210 -2.290 1.00 0.00 N ATOM 1186 CA THR B 170 -7.883 -1.058 -1.837 1.00 0.00 C ATOM 1187 C THR B 170 -8.808 -0.861 -3.029 1.00 0.00 C ATOM 1188 O THR B 170 -9.806 -1.570 -3.116 1.00 0.00 O ATOM 1189 CB THR B 170 -7.951 0.061 -0.784 1.00 0.00 C ATOM 1190 OG1 THR B 170 -6.888 -0.162 0.114 1.00 0.00 O ATOM 1191 CG2 THR B 170 -9.257 0.019 0.010 1.00 0.00 C ATOM 0 H THR B 170 -5.876 -0.518 -1.897 1.00 0.00 H new ATOM 0 HA THR B 170 -8.234 -1.963 -1.342 1.00 0.00 H new ATOM 0 HB THR B 170 -7.892 1.028 -1.284 1.00 0.00 H new ATOM 0 HG1 THR B 170 -7.165 -0.811 0.794 1.00 0.00 H new ATOM 0 HG21 THR B 170 -9.264 0.826 0.743 1.00 0.00 H new ATOM 0 HG22 THR B 170 -10.100 0.139 -0.670 1.00 0.00 H new ATOM 0 HG23 THR B 170 -9.339 -0.938 0.524 1.00 0.00 H new ATOM 1199 N ALA B 171 -8.467 0.029 -3.967 1.00 0.00 N ATOM 1200 CA ALA B 171 -9.280 0.306 -5.146 1.00 0.00 C ATOM 1201 C ALA B 171 -9.524 -0.953 -5.989 1.00 0.00 C ATOM 1202 O ALA B 171 -10.581 -1.071 -6.604 1.00 0.00 O ATOM 1203 CB ALA B 171 -8.620 1.416 -5.966 1.00 0.00 C ATOM 0 H ALA B 171 -7.610 0.580 -3.925 1.00 0.00 H new ATOM 0 HA ALA B 171 -10.263 0.643 -4.818 1.00 0.00 H new ATOM 0 HB1 ALA B 171 -9.225 1.626 -6.848 1.00 0.00 H new ATOM 0 HB2 ALA B 171 -8.539 2.318 -5.359 1.00 0.00 H new ATOM 0 HB3 ALA B 171 -7.625 1.097 -6.276 1.00 0.00 H new ATOM 1209 N GLN B 172 -8.566 -1.885 -6.039 1.00 0.00 N ATOM 1210 CA GLN B 172 -8.715 -3.133 -6.779 1.00 0.00 C ATOM 1211 C GLN B 172 -9.759 -3.984 -6.053 1.00 0.00 C ATOM 1212 O GLN B 172 -10.813 -4.275 -6.606 1.00 0.00 O ATOM 1213 CB GLN B 172 -7.355 -3.859 -6.892 1.00 0.00 C ATOM 1214 CG GLN B 172 -6.608 -3.446 -8.170 1.00 0.00 C ATOM 1215 CD GLN B 172 -5.100 -3.721 -8.136 1.00 0.00 C ATOM 1216 OE1 GLN B 172 -4.522 -4.242 -9.087 1.00 0.00 O ATOM 1217 NE2 GLN B 172 -4.406 -3.289 -7.094 1.00 0.00 N ATOM 0 H GLN B 172 -7.667 -1.791 -5.566 1.00 0.00 H new ATOM 0 HA GLN B 172 -9.051 -2.942 -7.798 1.00 0.00 H new ATOM 0 HB2 GLN B 172 -6.743 -3.628 -6.020 1.00 0.00 H new ATOM 0 HB3 GLN B 172 -7.515 -4.937 -6.893 1.00 0.00 H new ATOM 0 HG2 GLN B 172 -7.043 -3.975 -9.018 1.00 0.00 H new ATOM 0 HG3 GLN B 172 -6.768 -2.382 -8.342 1.00 0.00 H new ATOM 0 HE21 GLN B 172 -4.887 -2.857 -6.305 1.00 0.00 H new ATOM 0 HE22 GLN B 172 -3.391 -3.389 -7.081 1.00 0.00 H new ATOM 1226 N PHE B 173 -9.495 -4.357 -4.801 1.00 0.00 N ATOM 1227 CA PHE B 173 -10.379 -5.189 -3.988 1.00 0.00 C ATOM 1228 C PHE B 173 -11.801 -4.650 -3.918 1.00 0.00 C ATOM 1229 O PHE B 173 -12.731 -5.413 -4.169 1.00 0.00 O ATOM 1230 CB PHE B 173 -9.780 -5.357 -2.592 1.00 0.00 C ATOM 1231 CG PHE B 173 -8.733 -6.445 -2.553 1.00 0.00 C ATOM 1232 CD1 PHE B 173 -7.553 -6.331 -3.314 1.00 0.00 C ATOM 1233 CD2 PHE B 173 -8.978 -7.615 -1.812 1.00 0.00 C ATOM 1234 CE1 PHE B 173 -6.614 -7.371 -3.315 1.00 0.00 C ATOM 1235 CE2 PHE B 173 -8.050 -8.666 -1.824 1.00 0.00 C ATOM 1236 CZ PHE B 173 -6.869 -8.538 -2.581 1.00 0.00 C ATOM 0 H PHE B 173 -8.642 -4.083 -4.314 1.00 0.00 H new ATOM 0 HA PHE B 173 -10.454 -6.163 -4.471 1.00 0.00 H new ATOM 0 HB2 PHE B 173 -9.336 -4.414 -2.272 1.00 0.00 H new ATOM 0 HB3 PHE B 173 -10.574 -5.592 -1.883 1.00 0.00 H new ATOM 0 HD1 PHE B 173 -7.372 -5.441 -3.898 1.00 0.00 H new ATOM 0 HD2 PHE B 173 -9.884 -7.704 -1.232 1.00 0.00 H new ATOM 0 HE1 PHE B 173 -5.698 -7.274 -3.879 1.00 0.00 H new ATOM 0 HE2 PHE B 173 -8.239 -9.566 -1.258 1.00 0.00 H new ATOM 0 HZ PHE B 173 -6.153 -9.347 -2.596 1.00 0.00 H new ATOM 1246 N VAL B 174 -11.978 -3.356 -3.641 1.00 0.00 N ATOM 1247 CA VAL B 174 -13.301 -2.747 -3.538 1.00 0.00 C ATOM 1248 C VAL B 174 -14.113 -2.890 -4.835 1.00 0.00 C ATOM 1249 O VAL B 174 -15.346 -2.932 -4.805 1.00 0.00 O ATOM 1250 CB VAL B 174 -13.229 -1.310 -3.017 1.00 0.00 C ATOM 1251 CG1 VAL B 174 -12.578 -1.231 -1.625 1.00 0.00 C ATOM 1252 CG2 VAL B 174 -12.599 -0.376 -4.020 1.00 0.00 C ATOM 0 H VAL B 174 -11.209 -2.705 -3.483 1.00 0.00 H new ATOM 0 HA VAL B 174 -13.857 -3.308 -2.787 1.00 0.00 H new ATOM 0 HB VAL B 174 -14.254 -0.963 -2.887 1.00 0.00 H new ATOM 0 HG11 VAL B 174 -12.548 -0.192 -1.296 1.00 0.00 H new ATOM 0 HG12 VAL B 174 -13.161 -1.820 -0.917 1.00 0.00 H new ATOM 0 HG13 VAL B 174 -11.563 -1.625 -1.675 1.00 0.00 H new ATOM 0 HG21 VAL B 174 -12.568 0.633 -3.608 1.00 0.00 H new ATOM 0 HG22 VAL B 174 -11.585 -0.709 -4.240 1.00 0.00 H new ATOM 0 HG23 VAL B 174 -13.188 -0.376 -4.937 1.00 0.00 H new ATOM 1262 N ALA B 175 -13.433 -2.946 -5.981 1.00 0.00 N ATOM 1263 CA ALA B 175 -14.057 -3.103 -7.282 1.00 0.00 C ATOM 1264 C ALA B 175 -14.455 -4.553 -7.555 1.00 0.00 C ATOM 1265 O ALA B 175 -15.317 -4.789 -8.399 1.00 0.00 O ATOM 1266 CB ALA B 175 -13.117 -2.611 -8.374 1.00 0.00 C ATOM 0 H ALA B 175 -12.416 -2.882 -6.025 1.00 0.00 H new ATOM 0 HA ALA B 175 -14.968 -2.504 -7.283 1.00 0.00 H new ATOM 0 HB1 ALA B 175 -13.594 -2.733 -9.347 1.00 0.00 H new ATOM 0 HB2 ALA B 175 -12.889 -1.558 -8.211 1.00 0.00 H new ATOM 0 HB3 ALA B 175 -12.194 -3.190 -8.347 1.00 0.00 H new ATOM 1272 N ARG B 176 -13.816 -5.521 -6.893 1.00 0.00 N ATOM 1273 CA ARG B 176 -14.129 -6.932 -7.061 1.00 0.00 C ATOM 1274 C ARG B 176 -15.229 -7.323 -6.085 1.00 0.00 C ATOM 1275 O ARG B 176 -16.315 -7.707 -6.504 1.00 0.00 O ATOM 1276 CB ARG B 176 -12.902 -7.842 -6.809 1.00 0.00 C ATOM 1277 CG ARG B 176 -11.974 -8.042 -8.016 1.00 0.00 C ATOM 1278 CD ARG B 176 -10.917 -6.936 -8.096 1.00 0.00 C ATOM 1279 NE ARG B 176 -10.067 -7.025 -9.295 1.00 0.00 N ATOM 1280 CZ ARG B 176 -10.395 -6.646 -10.541 1.00 0.00 C ATOM 1281 NH1 ARG B 176 -11.643 -6.315 -10.857 1.00 0.00 N ATOM 1282 NH2 ARG B 176 -9.459 -6.587 -11.481 1.00 0.00 N ATOM 0 H ARG B 176 -13.066 -5.342 -6.225 1.00 0.00 H new ATOM 0 HA ARG B 176 -14.449 -7.072 -8.094 1.00 0.00 H new ATOM 0 HB2 ARG B 176 -12.320 -7.420 -5.990 1.00 0.00 H new ATOM 0 HB3 ARG B 176 -13.256 -8.818 -6.478 1.00 0.00 H new ATOM 0 HG2 ARG B 176 -11.483 -9.012 -7.943 1.00 0.00 H new ATOM 0 HG3 ARG B 176 -12.563 -8.051 -8.933 1.00 0.00 H new ATOM 0 HD2 ARG B 176 -11.415 -5.966 -8.084 1.00 0.00 H new ATOM 0 HD3 ARG B 176 -10.286 -6.982 -7.208 1.00 0.00 H new ATOM 0 HE ARG B 176 -9.133 -7.414 -9.166 1.00 0.00 H new ATOM 0 HH11 ARG B 176 -12.374 -6.346 -10.147 1.00 0.00 H new ATOM 0 HH12 ARG B 176 -11.869 -6.030 -11.810 1.00 0.00 H new ATOM 0 HH21 ARG B 176 -8.494 -6.829 -11.256 1.00 0.00 H new ATOM 0 HH22 ARG B 176 -9.705 -6.300 -12.428 1.00 0.00 H new ATOM 1296 N ASN B 177 -14.954 -7.192 -4.790 1.00 0.00 N ATOM 1297 CA ASN B 177 -15.871 -7.599 -3.729 1.00 0.00 C ATOM 1298 C ASN B 177 -17.072 -6.663 -3.516 1.00 0.00 C ATOM 1299 O ASN B 177 -18.102 -7.128 -3.026 1.00 0.00 O ATOM 1300 CB ASN B 177 -15.067 -7.936 -2.455 1.00 0.00 C ATOM 1301 CG ASN B 177 -14.010 -9.021 -2.652 1.00 0.00 C ATOM 1302 OD1 ASN B 177 -14.142 -9.931 -3.464 1.00 0.00 O ATOM 1303 ND2 ASN B 177 -12.869 -8.878 -1.992 1.00 0.00 N ATOM 0 H ASN B 177 -14.080 -6.796 -4.444 1.00 0.00 H new ATOM 0 HA ASN B 177 -16.372 -8.511 -4.052 1.00 0.00 H new ATOM 0 HB2 ASN B 177 -14.579 -7.030 -2.096 1.00 0.00 H new ATOM 0 HB3 ASN B 177 -15.759 -8.255 -1.676 1.00 0.00 H new ATOM 0 HD21 ASN B 177 -12.099 -9.525 -2.159 1.00 0.00 H new ATOM 0 HD22 ASN B 177 -12.762 -8.121 -1.317 1.00 0.00 H new ATOM 1310 N GLY B 178 -17.012 -5.382 -3.911 1.00 0.00 N ATOM 1311 CA GLY B 178 -18.110 -4.423 -3.785 1.00 0.00 C ATOM 1312 C GLY B 178 -18.004 -3.407 -2.645 1.00 0.00 C ATOM 1313 O GLY B 178 -17.180 -3.522 -1.733 1.00 0.00 O ATOM 0 H GLY B 178 -16.177 -4.979 -4.336 1.00 0.00 H new ATOM 0 HA2 GLY B 178 -18.193 -3.875 -4.723 1.00 0.00 H new ATOM 0 HA3 GLY B 178 -19.038 -4.981 -3.659 1.00 0.00 H new ATOM 1317 N ARG B 179 -18.880 -2.399 -2.668 1.00 0.00 N ATOM 1318 CA ARG B 179 -18.971 -1.302 -1.695 1.00 0.00 C ATOM 1319 C ARG B 179 -19.057 -1.787 -0.250 1.00 0.00 C ATOM 1320 O ARG B 179 -18.643 -1.046 0.643 1.00 0.00 O ATOM 1321 CB ARG B 179 -20.225 -0.481 -2.035 1.00 0.00 C ATOM 1322 CG ARG B 179 -20.570 0.696 -1.102 1.00 0.00 C ATOM 1323 CD ARG B 179 -19.487 1.771 -0.981 1.00 0.00 C ATOM 1324 NE ARG B 179 -19.164 2.387 -2.283 1.00 0.00 N ATOM 1325 CZ ARG B 179 -18.923 3.679 -2.529 1.00 0.00 C ATOM 1326 NH1 ARG B 179 -18.923 4.567 -1.541 1.00 0.00 N ATOM 1327 NH2 ARG B 179 -18.665 4.063 -3.773 1.00 0.00 N ATOM 0 H ARG B 179 -19.582 -2.320 -3.403 1.00 0.00 H new ATOM 0 HA ARG B 179 -18.061 -0.706 -1.766 1.00 0.00 H new ATOM 0 HB2 ARG B 179 -20.108 -0.088 -3.045 1.00 0.00 H new ATOM 0 HB3 ARG B 179 -21.078 -1.159 -2.053 1.00 0.00 H new ATOM 0 HG2 ARG B 179 -21.487 1.165 -1.459 1.00 0.00 H new ATOM 0 HG3 ARG B 179 -20.780 0.301 -0.108 1.00 0.00 H new ATOM 0 HD2 ARG B 179 -19.820 2.544 -0.288 1.00 0.00 H new ATOM 0 HD3 ARG B 179 -18.585 1.330 -0.556 1.00 0.00 H new ATOM 0 HE ARG B 179 -19.120 1.757 -3.084 1.00 0.00 H new ATOM 0 HH11 ARG B 179 -19.108 4.265 -0.584 1.00 0.00 H new ATOM 0 HH12 ARG B 179 -18.738 5.550 -1.739 1.00 0.00 H new ATOM 0 HH21 ARG B 179 -18.652 3.376 -4.527 1.00 0.00 H new ATOM 0 HH22 ARG B 179 -18.479 5.045 -3.975 1.00 0.00 H new ATOM 1341 N GLN B 180 -19.578 -2.989 -0.012 1.00 0.00 N ATOM 1342 CA GLN B 180 -19.707 -3.575 1.311 1.00 0.00 C ATOM 1343 C GLN B 180 -18.338 -3.575 2.000 1.00 0.00 C ATOM 1344 O GLN B 180 -18.181 -2.902 3.018 1.00 0.00 O ATOM 1345 CB GLN B 180 -20.353 -4.955 1.144 1.00 0.00 C ATOM 1346 CG GLN B 180 -20.449 -5.798 2.419 1.00 0.00 C ATOM 1347 CD GLN B 180 -21.363 -5.218 3.494 1.00 0.00 C ATOM 1348 OE1 GLN B 180 -20.947 -5.061 4.639 1.00 0.00 O ATOM 1349 NE2 GLN B 180 -22.631 -4.975 3.208 1.00 0.00 N ATOM 0 H GLN B 180 -19.929 -3.593 -0.755 1.00 0.00 H new ATOM 0 HA GLN B 180 -20.356 -3.000 1.971 1.00 0.00 H new ATOM 0 HB2 GLN B 180 -21.357 -4.820 0.742 1.00 0.00 H new ATOM 0 HB3 GLN B 180 -19.785 -5.515 0.401 1.00 0.00 H new ATOM 0 HG2 GLN B 180 -20.806 -6.794 2.155 1.00 0.00 H new ATOM 0 HG3 GLN B 180 -19.449 -5.918 2.836 1.00 0.00 H new ATOM 0 HE21 GLN B 180 -22.973 -5.106 2.256 1.00 0.00 H new ATOM 0 HE22 GLN B 180 -23.267 -4.656 3.939 1.00 0.00 H new ATOM 1358 N PHE B 181 -17.335 -4.253 1.424 1.00 0.00 N ATOM 1359 CA PHE B 181 -15.984 -4.314 1.987 1.00 0.00 C ATOM 1360 C PHE B 181 -15.423 -2.912 2.231 1.00 0.00 C ATOM 1361 O PHE B 181 -14.795 -2.661 3.257 1.00 0.00 O ATOM 1362 CB PHE B 181 -15.086 -4.973 0.947 1.00 0.00 C ATOM 1363 CG PHE B 181 -13.621 -5.137 1.271 1.00 0.00 C ATOM 1364 CD1 PHE B 181 -13.220 -5.920 2.366 1.00 0.00 C ATOM 1365 CD2 PHE B 181 -12.657 -4.552 0.426 1.00 0.00 C ATOM 1366 CE1 PHE B 181 -11.852 -6.105 2.626 1.00 0.00 C ATOM 1367 CE2 PHE B 181 -11.290 -4.726 0.699 1.00 0.00 C ATOM 1368 CZ PHE B 181 -10.891 -5.501 1.801 1.00 0.00 C ATOM 0 H PHE B 181 -17.441 -4.774 0.554 1.00 0.00 H new ATOM 0 HA PHE B 181 -16.019 -4.860 2.930 1.00 0.00 H new ATOM 0 HB2 PHE B 181 -15.493 -5.962 0.734 1.00 0.00 H new ATOM 0 HB3 PHE B 181 -15.161 -4.393 0.027 1.00 0.00 H new ATOM 0 HD1 PHE B 181 -13.960 -6.378 3.005 1.00 0.00 H new ATOM 0 HD2 PHE B 181 -12.968 -3.971 -0.430 1.00 0.00 H new ATOM 0 HE1 PHE B 181 -11.539 -6.713 3.462 1.00 0.00 H new ATOM 0 HE2 PHE B 181 -10.548 -4.265 0.064 1.00 0.00 H new ATOM 0 HZ PHE B 181 -9.840 -5.632 2.014 1.00 0.00 H new ATOM 1378 N LEU B 182 -15.643 -2.006 1.265 1.00 0.00 N ATOM 1379 CA LEU B 182 -15.168 -0.631 1.324 1.00 0.00 C ATOM 1380 C LEU B 182 -15.697 0.023 2.597 1.00 0.00 C ATOM 1381 O LEU B 182 -14.933 0.543 3.403 1.00 0.00 O ATOM 1382 CB LEU B 182 -15.627 0.120 0.056 1.00 0.00 C ATOM 1383 CG LEU B 182 -14.807 1.367 -0.323 1.00 0.00 C ATOM 1384 CD1 LEU B 182 -15.490 2.060 -1.506 1.00 0.00 C ATOM 1385 CD2 LEU B 182 -14.620 2.374 0.803 1.00 0.00 C ATOM 0 H LEU B 182 -16.163 -2.219 0.414 1.00 0.00 H new ATOM 0 HA LEU B 182 -14.079 -0.598 1.355 1.00 0.00 H new ATOM 0 HB2 LEU B 182 -15.603 -0.575 -0.783 1.00 0.00 H new ATOM 0 HB3 LEU B 182 -16.666 0.420 0.191 1.00 0.00 H new ATOM 0 HG LEU B 182 -13.807 1.012 -0.573 1.00 0.00 H new ATOM 0 HD11 LEU B 182 -14.921 2.946 -1.787 1.00 0.00 H new ATOM 0 HD12 LEU B 182 -15.535 1.375 -2.352 1.00 0.00 H new ATOM 0 HD13 LEU B 182 -16.501 2.353 -1.222 1.00 0.00 H new ATOM 0 HD21 LEU B 182 -14.031 3.217 0.443 1.00 0.00 H new ATOM 0 HD22 LEU B 182 -15.594 2.729 1.139 1.00 0.00 H new ATOM 0 HD23 LEU B 182 -14.101 1.898 1.635 1.00 0.00 H new ATOM 1397 N THR B 183 -17.010 -0.025 2.786 1.00 0.00 N ATOM 1398 CA THR B 183 -17.668 0.559 3.934 1.00 0.00 C ATOM 1399 C THR B 183 -17.143 -0.055 5.236 1.00 0.00 C ATOM 1400 O THR B 183 -16.839 0.677 6.178 1.00 0.00 O ATOM 1401 CB THR B 183 -19.189 0.389 3.791 1.00 0.00 C ATOM 1402 OG1 THR B 183 -19.642 0.726 2.488 1.00 0.00 O ATOM 1403 CG2 THR B 183 -19.868 1.326 4.793 1.00 0.00 C ATOM 0 H THR B 183 -17.651 -0.478 2.134 1.00 0.00 H new ATOM 0 HA THR B 183 -17.444 1.625 3.977 1.00 0.00 H new ATOM 0 HB THR B 183 -19.436 -0.656 3.976 1.00 0.00 H new ATOM 0 HG1 THR B 183 -19.413 0.005 1.865 1.00 0.00 H new ATOM 0 HG21 THR B 183 -20.950 1.224 4.711 1.00 0.00 H new ATOM 0 HG22 THR B 183 -19.555 1.066 5.804 1.00 0.00 H new ATOM 0 HG23 THR B 183 -19.584 2.356 4.578 1.00 0.00 H new ATOM 1411 N GLN B 184 -17.010 -1.382 5.298 1.00 0.00 N ATOM 1412 CA GLN B 184 -16.512 -2.048 6.496 1.00 0.00 C ATOM 1413 C GLN B 184 -15.092 -1.575 6.825 1.00 0.00 C ATOM 1414 O GLN B 184 -14.798 -1.313 7.993 1.00 0.00 O ATOM 1415 CB GLN B 184 -16.632 -3.566 6.348 1.00 0.00 C ATOM 1416 CG GLN B 184 -18.109 -3.983 6.211 1.00 0.00 C ATOM 1417 CD GLN B 184 -18.369 -5.336 6.842 1.00 0.00 C ATOM 1418 OE1 GLN B 184 -18.775 -5.410 7.999 1.00 0.00 O ATOM 1419 NE2 GLN B 184 -18.083 -6.427 6.159 1.00 0.00 N ATOM 0 H GLN B 184 -17.241 -2.013 4.531 1.00 0.00 H new ATOM 0 HA GLN B 184 -17.128 -1.772 7.352 1.00 0.00 H new ATOM 0 HB2 GLN B 184 -16.073 -3.897 5.473 1.00 0.00 H new ATOM 0 HB3 GLN B 184 -16.189 -4.057 7.214 1.00 0.00 H new ATOM 0 HG2 GLN B 184 -18.744 -3.233 6.682 1.00 0.00 H new ATOM 0 HG3 GLN B 184 -18.382 -4.015 5.156 1.00 0.00 H new ATOM 0 HE21 GLN B 184 -17.747 -6.354 5.199 1.00 0.00 H new ATOM 0 HE22 GLN B 184 -18.198 -7.344 6.591 1.00 0.00 H new ATOM 1428 N LEU B 185 -14.230 -1.404 5.815 1.00 0.00 N ATOM 1429 CA LEU B 185 -12.863 -0.927 6.007 1.00 0.00 C ATOM 1430 C LEU B 185 -12.889 0.473 6.618 1.00 0.00 C ATOM 1431 O LEU B 185 -12.102 0.766 7.523 1.00 0.00 O ATOM 1432 CB LEU B 185 -12.100 -0.864 4.668 1.00 0.00 C ATOM 1433 CG LEU B 185 -11.404 -2.163 4.240 1.00 0.00 C ATOM 1434 CD1 LEU B 185 -10.863 -1.962 2.819 1.00 0.00 C ATOM 1435 CD2 LEU B 185 -10.230 -2.508 5.160 1.00 0.00 C ATOM 0 H LEU B 185 -14.466 -1.594 4.841 1.00 0.00 H new ATOM 0 HA LEU B 185 -12.355 -1.626 6.672 1.00 0.00 H new ATOM 0 HB2 LEU B 185 -12.800 -0.573 3.885 1.00 0.00 H new ATOM 0 HB3 LEU B 185 -11.350 -0.076 4.734 1.00 0.00 H new ATOM 0 HG LEU B 185 -12.126 -2.978 4.291 1.00 0.00 H new ATOM 0 HD11 LEU B 185 -10.362 -2.872 2.488 1.00 0.00 H new ATOM 0 HD12 LEU B 185 -11.689 -1.736 2.144 1.00 0.00 H new ATOM 0 HD13 LEU B 185 -10.153 -1.135 2.813 1.00 0.00 H new ATOM 0 HD21 LEU B 185 -9.764 -3.434 4.823 1.00 0.00 H new ATOM 0 HD22 LEU B 185 -9.497 -1.702 5.132 1.00 0.00 H new ATOM 0 HD23 LEU B 185 -10.592 -2.634 6.180 1.00 0.00 H new ATOM 1447 N MET B 186 -13.778 1.345 6.129 1.00 0.00 N ATOM 1448 CA MET B 186 -13.899 2.712 6.624 1.00 0.00 C ATOM 1449 C MET B 186 -14.297 2.732 8.095 1.00 0.00 C ATOM 1450 O MET B 186 -13.913 3.658 8.806 1.00 0.00 O ATOM 1451 CB MET B 186 -14.955 3.467 5.826 1.00 0.00 C ATOM 1452 CG MET B 186 -14.557 3.660 4.369 1.00 0.00 C ATOM 1453 SD MET B 186 -15.853 4.382 3.347 1.00 0.00 S ATOM 1454 CE MET B 186 -15.671 6.097 3.861 1.00 0.00 C ATOM 0 H MET B 186 -14.431 1.118 5.379 1.00 0.00 H new ATOM 0 HA MET B 186 -12.926 3.190 6.510 1.00 0.00 H new ATOM 0 HB2 MET B 186 -15.899 2.923 5.873 1.00 0.00 H new ATOM 0 HB3 MET B 186 -15.125 4.441 6.285 1.00 0.00 H new ATOM 0 HG2 MET B 186 -13.675 4.299 4.325 1.00 0.00 H new ATOM 0 HG3 MET B 186 -14.272 2.695 3.950 1.00 0.00 H new ATOM 0 HE1 MET B 186 -16.165 6.748 3.139 1.00 0.00 H new ATOM 0 HE2 MET B 186 -16.126 6.233 4.842 1.00 0.00 H new ATOM 0 HE3 MET B 186 -14.612 6.351 3.913 1.00 0.00 H new ATOM 1464 N GLN B 187 -15.092 1.759 8.549 1.00 0.00 N ATOM 1465 CA GLN B 187 -15.526 1.679 9.933 1.00 0.00 C ATOM 1466 C GLN B 187 -14.430 1.097 10.818 1.00 0.00 C ATOM 1467 O GLN B 187 -14.080 1.717 11.822 1.00 0.00 O ATOM 1468 CB GLN B 187 -16.801 0.843 10.065 1.00 0.00 C ATOM 1469 CG GLN B 187 -18.050 1.470 9.414 1.00 0.00 C ATOM 1470 CD GLN B 187 -18.241 2.949 9.753 1.00 0.00 C ATOM 1471 OE1 GLN B 187 -18.288 3.348 10.915 1.00 0.00 O ATOM 1472 NE2 GLN B 187 -18.309 3.826 8.760 1.00 0.00 N ATOM 0 H GLN B 187 -15.450 1.007 7.960 1.00 0.00 H new ATOM 0 HA GLN B 187 -15.741 2.695 10.266 1.00 0.00 H new ATOM 0 HB2 GLN B 187 -16.626 -0.135 9.617 1.00 0.00 H new ATOM 0 HB3 GLN B 187 -17.003 0.678 11.123 1.00 0.00 H new ATOM 0 HG2 GLN B 187 -17.979 1.360 8.332 1.00 0.00 H new ATOM 0 HG3 GLN B 187 -18.933 0.916 9.733 1.00 0.00 H new ATOM 0 HE21 GLN B 187 -18.271 3.505 7.793 1.00 0.00 H new ATOM 0 HE22 GLN B 187 -18.399 4.821 8.964 1.00 0.00 H new ATOM 1481 N LYS B 188 -13.879 -0.072 10.467 1.00 0.00 N ATOM 1482 CA LYS B 188 -12.828 -0.729 11.246 1.00 0.00 C ATOM 1483 C LYS B 188 -11.708 0.252 11.572 1.00 0.00 C ATOM 1484 O LYS B 188 -11.345 0.416 12.736 1.00 0.00 O ATOM 1485 CB LYS B 188 -12.226 -1.905 10.454 1.00 0.00 C ATOM 1486 CG LYS B 188 -12.965 -3.243 10.599 1.00 0.00 C ATOM 1487 CD LYS B 188 -12.234 -4.277 9.726 1.00 0.00 C ATOM 1488 CE LYS B 188 -12.507 -5.753 10.015 1.00 0.00 C ATOM 1489 NZ LYS B 188 -13.915 -6.075 10.310 1.00 0.00 N ATOM 0 H LYS B 188 -14.152 -0.589 9.631 1.00 0.00 H new ATOM 0 HA LYS B 188 -13.280 -1.094 12.169 1.00 0.00 H new ATOM 0 HB2 LYS B 188 -12.202 -1.635 9.398 1.00 0.00 H new ATOM 0 HB3 LYS B 188 -11.193 -2.044 10.772 1.00 0.00 H new ATOM 0 HG2 LYS B 188 -12.977 -3.562 11.641 1.00 0.00 H new ATOM 0 HG3 LYS B 188 -14.004 -3.142 10.284 1.00 0.00 H new ATOM 0 HD2 LYS B 188 -12.492 -4.083 8.685 1.00 0.00 H new ATOM 0 HD3 LYS B 188 -11.162 -4.106 9.826 1.00 0.00 H new ATOM 0 HE2 LYS B 188 -12.187 -6.342 9.156 1.00 0.00 H new ATOM 0 HE3 LYS B 188 -11.893 -6.063 10.861 1.00 0.00 H new ATOM 0 HZ1 LYS B 188 -14.007 -7.095 10.493 1.00 0.00 H new ATOM 0 HZ2 LYS B 188 -14.224 -5.543 11.149 1.00 0.00 H new ATOM 0 HZ3 LYS B 188 -14.508 -5.814 9.497 1.00 0.00 H new ATOM 1503 N GLU B 189 -11.203 0.924 10.544 1.00 0.00 N ATOM 1504 CA GLU B 189 -10.103 1.881 10.637 1.00 0.00 C ATOM 1505 C GLU B 189 -10.582 3.339 10.703 1.00 0.00 C ATOM 1506 O GLU B 189 -9.825 4.238 10.352 1.00 0.00 O ATOM 1507 CB GLU B 189 -9.140 1.615 9.467 1.00 0.00 C ATOM 1508 CG GLU B 189 -8.317 0.324 9.615 1.00 0.00 C ATOM 1509 CD GLU B 189 -7.223 0.450 10.679 1.00 0.00 C ATOM 1510 OE1 GLU B 189 -7.506 0.211 11.867 1.00 0.00 O ATOM 1511 OE2 GLU B 189 -6.058 0.802 10.349 1.00 0.00 O ATOM 0 H GLU B 189 -11.557 0.816 9.594 1.00 0.00 H new ATOM 0 HA GLU B 189 -9.574 1.735 11.579 1.00 0.00 H new ATOM 0 HB2 GLU B 189 -9.714 1.564 8.542 1.00 0.00 H new ATOM 0 HB3 GLU B 189 -8.458 2.460 9.372 1.00 0.00 H new ATOM 0 HG2 GLU B 189 -8.981 -0.500 9.876 1.00 0.00 H new ATOM 0 HG3 GLU B 189 -7.861 0.074 8.657 1.00 0.00 H new ATOM 1518 N GLN B 190 -11.808 3.610 11.168 1.00 0.00 N ATOM 1519 CA GLN B 190 -12.333 4.978 11.247 1.00 0.00 C ATOM 1520 C GLN B 190 -11.427 5.952 12.013 1.00 0.00 C ATOM 1521 O GLN B 190 -11.414 7.137 11.687 1.00 0.00 O ATOM 1522 CB GLN B 190 -13.762 4.987 11.830 1.00 0.00 C ATOM 1523 CG GLN B 190 -13.831 4.644 13.328 1.00 0.00 C ATOM 1524 CD GLN B 190 -15.258 4.408 13.810 1.00 0.00 C ATOM 1525 OE1 GLN B 190 -15.858 5.255 14.465 1.00 0.00 O ATOM 1526 NE2 GLN B 190 -15.813 3.246 13.528 1.00 0.00 N ATOM 0 H GLN B 190 -12.457 2.895 11.497 1.00 0.00 H new ATOM 0 HA GLN B 190 -12.361 5.342 10.220 1.00 0.00 H new ATOM 0 HB2 GLN B 190 -14.201 5.972 11.673 1.00 0.00 H new ATOM 0 HB3 GLN B 190 -14.373 4.274 11.276 1.00 0.00 H new ATOM 0 HG2 GLN B 190 -13.234 3.753 13.521 1.00 0.00 H new ATOM 0 HG3 GLN B 190 -13.386 5.456 13.904 1.00 0.00 H new ATOM 0 HE21 GLN B 190 -15.299 2.554 12.982 1.00 0.00 H new ATOM 0 HE22 GLN B 190 -16.756 3.039 13.855 1.00 0.00 H new ATOM 1535 N ARG B 191 -10.679 5.483 13.020 1.00 0.00 N ATOM 1536 CA ARG B 191 -9.799 6.335 13.825 1.00 0.00 C ATOM 1537 C ARG B 191 -8.379 6.412 13.262 1.00 0.00 C ATOM 1538 O ARG B 191 -7.517 7.037 13.888 1.00 0.00 O ATOM 1539 CB ARG B 191 -9.778 5.843 15.287 1.00 0.00 C ATOM 1540 CG ARG B 191 -11.162 5.446 15.827 1.00 0.00 C ATOM 1541 CD ARG B 191 -11.242 5.556 17.348 1.00 0.00 C ATOM 1542 NE ARG B 191 -11.509 6.948 17.714 1.00 0.00 N ATOM 1543 CZ ARG B 191 -11.501 7.502 18.922 1.00 0.00 C ATOM 1544 NH1 ARG B 191 -11.178 6.802 20.003 1.00 0.00 N ATOM 1545 NH2 ARG B 191 -11.839 8.780 19.008 1.00 0.00 N ATOM 0 H ARG B 191 -10.668 4.502 13.298 1.00 0.00 H new ATOM 0 HA ARG B 191 -10.205 7.346 13.789 1.00 0.00 H new ATOM 0 HB2 ARG B 191 -9.109 4.986 15.363 1.00 0.00 H new ATOM 0 HB3 ARG B 191 -9.363 6.628 15.919 1.00 0.00 H new ATOM 0 HG2 ARG B 191 -11.922 6.085 15.378 1.00 0.00 H new ATOM 0 HG3 ARG B 191 -11.388 4.423 15.526 1.00 0.00 H new ATOM 0 HD2 ARG B 191 -12.031 4.909 17.731 1.00 0.00 H new ATOM 0 HD3 ARG B 191 -10.308 5.221 17.799 1.00 0.00 H new ATOM 0 HE ARG B 191 -11.730 7.575 16.940 1.00 0.00 H new ATOM 0 HH11 ARG B 191 -10.929 5.817 19.917 1.00 0.00 H new ATOM 0 HH12 ARG B 191 -11.179 7.250 20.920 1.00 0.00 H new ATOM 0 HH21 ARG B 191 -12.092 9.298 18.167 1.00 0.00 H new ATOM 0 HH22 ARG B 191 -11.847 9.246 19.916 1.00 0.00 H new ATOM 1559 N ASN B 192 -8.110 5.750 12.132 1.00 0.00 N ATOM 1560 CA ASN B 192 -6.812 5.724 11.489 1.00 0.00 C ATOM 1561 C ASN B 192 -6.830 6.582 10.231 1.00 0.00 C ATOM 1562 O ASN B 192 -7.341 6.157 9.193 1.00 0.00 O ATOM 1563 CB ASN B 192 -6.394 4.289 11.137 1.00 0.00 C ATOM 1564 CG ASN B 192 -4.984 4.273 10.559 1.00 0.00 C ATOM 1565 OD1 ASN B 192 -4.232 5.239 10.680 1.00 0.00 O ATOM 1566 ND2 ASN B 192 -4.586 3.189 9.929 1.00 0.00 N ATOM 0 H ASN B 192 -8.815 5.206 11.634 1.00 0.00 H new ATOM 0 HA ASN B 192 -6.083 6.129 12.191 1.00 0.00 H new ATOM 0 HB2 ASN B 192 -6.436 3.662 12.028 1.00 0.00 H new ATOM 0 HB3 ASN B 192 -7.094 3.866 10.417 1.00 0.00 H new ATOM 0 HD21 ASN B 192 -3.646 3.144 9.535 1.00 0.00 H new ATOM 0 HD22 ASN B 192 -5.217 2.393 9.834 1.00 0.00 H new ATOM 1573 N TYR B 193 -6.217 7.763 10.314 1.00 0.00 N ATOM 1574 CA TYR B 193 -6.116 8.725 9.220 1.00 0.00 C ATOM 1575 C TYR B 193 -5.519 8.128 7.935 1.00 0.00 C ATOM 1576 O TYR B 193 -5.707 8.693 6.856 1.00 0.00 O ATOM 1577 CB TYR B 193 -5.246 9.903 9.675 1.00 0.00 C ATOM 1578 CG TYR B 193 -3.777 9.541 9.818 1.00 0.00 C ATOM 1579 CD1 TYR B 193 -2.912 9.647 8.710 1.00 0.00 C ATOM 1580 CD2 TYR B 193 -3.276 9.071 11.047 1.00 0.00 C ATOM 1581 CE1 TYR B 193 -1.563 9.274 8.822 1.00 0.00 C ATOM 1582 CE2 TYR B 193 -1.924 8.708 11.167 1.00 0.00 C ATOM 1583 CZ TYR B 193 -1.063 8.800 10.052 1.00 0.00 C ATOM 1584 OH TYR B 193 0.248 8.458 10.150 1.00 0.00 O ATOM 0 H TYR B 193 -5.764 8.085 11.170 1.00 0.00 H new ATOM 0 HA TYR B 193 -7.130 9.044 8.980 1.00 0.00 H new ATOM 0 HB2 TYR B 193 -5.345 10.718 8.958 1.00 0.00 H new ATOM 0 HB3 TYR B 193 -5.617 10.273 10.631 1.00 0.00 H new ATOM 0 HD1 TYR B 193 -3.290 10.018 7.768 1.00 0.00 H new ATOM 0 HD2 TYR B 193 -3.933 8.989 11.900 1.00 0.00 H new ATOM 0 HE1 TYR B 193 -0.909 9.350 7.966 1.00 0.00 H new ATOM 0 HE2 TYR B 193 -1.542 8.358 12.115 1.00 0.00 H new ATOM 0 HH TYR B 193 0.439 8.151 11.061 1.00 0.00 H new ATOM 1594 N GLN B 194 -4.787 7.012 8.024 1.00 0.00 N ATOM 1595 CA GLN B 194 -4.188 6.368 6.861 1.00 0.00 C ATOM 1596 C GLN B 194 -5.274 5.892 5.884 1.00 0.00 C ATOM 1597 O GLN B 194 -4.997 5.746 4.701 1.00 0.00 O ATOM 1598 CB GLN B 194 -3.271 5.228 7.329 1.00 0.00 C ATOM 1599 CG GLN B 194 -1.946 5.186 6.564 1.00 0.00 C ATOM 1600 CD GLN B 194 -2.088 4.704 5.126 1.00 0.00 C ATOM 1601 OE1 GLN B 194 -2.515 3.575 4.900 1.00 0.00 O ATOM 1602 NE2 GLN B 194 -1.652 5.494 4.158 1.00 0.00 N ATOM 0 H GLN B 194 -4.596 6.534 8.905 1.00 0.00 H new ATOM 0 HA GLN B 194 -3.576 7.085 6.313 1.00 0.00 H new ATOM 0 HB2 GLN B 194 -3.068 5.344 8.394 1.00 0.00 H new ATOM 0 HB3 GLN B 194 -3.788 4.277 7.205 1.00 0.00 H new ATOM 0 HG2 GLN B 194 -1.505 6.183 6.563 1.00 0.00 H new ATOM 0 HG3 GLN B 194 -1.252 4.531 7.091 1.00 0.00 H new ATOM 0 HE21 GLN B 194 -1.303 6.427 4.379 1.00 0.00 H new ATOM 0 HE22 GLN B 194 -1.665 5.170 3.191 1.00 0.00 H new ATOM 1611 N PHE B 195 -6.500 5.668 6.367 1.00 0.00 N ATOM 1612 CA PHE B 195 -7.650 5.246 5.580 1.00 0.00 C ATOM 1613 C PHE B 195 -8.584 6.429 5.286 1.00 0.00 C ATOM 1614 O PHE B 195 -9.654 6.220 4.714 1.00 0.00 O ATOM 1615 CB PHE B 195 -8.378 4.119 6.324 1.00 0.00 C ATOM 1616 CG PHE B 195 -7.672 2.789 6.204 1.00 0.00 C ATOM 1617 CD1 PHE B 195 -6.684 2.408 7.128 1.00 0.00 C ATOM 1618 CD2 PHE B 195 -7.977 1.935 5.132 1.00 0.00 C ATOM 1619 CE1 PHE B 195 -6.031 1.172 6.990 1.00 0.00 C ATOM 1620 CE2 PHE B 195 -7.344 0.688 5.010 1.00 0.00 C ATOM 1621 CZ PHE B 195 -6.365 0.302 5.938 1.00 0.00 C ATOM 0 H PHE B 195 -6.721 5.782 7.356 1.00 0.00 H new ATOM 0 HA PHE B 195 -7.311 4.869 4.615 1.00 0.00 H new ATOM 0 HB2 PHE B 195 -8.468 4.384 7.377 1.00 0.00 H new ATOM 0 HB3 PHE B 195 -9.390 4.025 5.931 1.00 0.00 H new ATOM 0 HD1 PHE B 195 -6.427 3.066 7.945 1.00 0.00 H new ATOM 0 HD2 PHE B 195 -8.705 2.240 4.395 1.00 0.00 H new ATOM 0 HE1 PHE B 195 -5.266 0.888 7.698 1.00 0.00 H new ATOM 0 HE2 PHE B 195 -7.611 0.025 4.201 1.00 0.00 H new ATOM 0 HZ PHE B 195 -5.873 -0.655 5.845 1.00 0.00 H new ATOM 1631 N ASP B 196 -8.216 7.664 5.655 1.00 0.00 N ATOM 1632 CA ASP B 196 -9.043 8.854 5.418 1.00 0.00 C ATOM 1633 C ASP B 196 -9.302 9.062 3.929 1.00 0.00 C ATOM 1634 O ASP B 196 -10.336 9.618 3.582 1.00 0.00 O ATOM 1635 CB ASP B 196 -8.453 10.113 6.072 1.00 0.00 C ATOM 1636 CG ASP B 196 -9.495 11.227 6.271 1.00 0.00 C ATOM 1637 OD1 ASP B 196 -10.197 11.165 7.314 1.00 0.00 O ATOM 1638 OD2 ASP B 196 -9.529 12.183 5.467 1.00 0.00 O ATOM 0 H ASP B 196 -7.335 7.865 6.127 1.00 0.00 H new ATOM 0 HA ASP B 196 -10.004 8.674 5.899 1.00 0.00 H new ATOM 0 HB2 ASP B 196 -8.023 9.847 7.038 1.00 0.00 H new ATOM 0 HB3 ASP B 196 -7.639 10.490 5.454 1.00 0.00 H new ATOM 1643 N PHE B 197 -8.442 8.543 3.036 1.00 0.00 N ATOM 1644 CA PHE B 197 -8.630 8.668 1.591 1.00 0.00 C ATOM 1645 C PHE B 197 -9.930 8.007 1.127 1.00 0.00 C ATOM 1646 O PHE B 197 -10.423 8.321 0.043 1.00 0.00 O ATOM 1647 CB PHE B 197 -7.420 8.151 0.807 1.00 0.00 C ATOM 1648 CG PHE B 197 -7.257 6.647 0.800 1.00 0.00 C ATOM 1649 CD1 PHE B 197 -7.934 5.872 -0.162 1.00 0.00 C ATOM 1650 CD2 PHE B 197 -6.422 6.025 1.744 1.00 0.00 C ATOM 1651 CE1 PHE B 197 -7.774 4.478 -0.180 1.00 0.00 C ATOM 1652 CE2 PHE B 197 -6.269 4.630 1.727 1.00 0.00 C ATOM 1653 CZ PHE B 197 -6.945 3.859 0.767 1.00 0.00 C ATOM 0 H PHE B 197 -7.602 8.028 3.300 1.00 0.00 H new ATOM 0 HA PHE B 197 -8.716 9.733 1.376 1.00 0.00 H new ATOM 0 HB2 PHE B 197 -7.499 8.497 -0.223 1.00 0.00 H new ATOM 0 HB3 PHE B 197 -6.518 8.597 1.225 1.00 0.00 H new ATOM 0 HD1 PHE B 197 -8.576 6.351 -0.886 1.00 0.00 H new ATOM 0 HD2 PHE B 197 -5.900 6.618 2.480 1.00 0.00 H new ATOM 0 HE1 PHE B 197 -8.288 3.883 -0.921 1.00 0.00 H new ATOM 0 HE2 PHE B 197 -5.631 4.149 2.453 1.00 0.00 H new ATOM 0 HZ PHE B 197 -6.826 2.786 0.758 1.00 0.00 H new ATOM 1663 N LEU B 198 -10.472 7.073 1.916 1.00 0.00 N ATOM 1664 CA LEU B 198 -11.723 6.400 1.604 1.00 0.00 C ATOM 1665 C LEU B 198 -12.898 7.351 1.860 1.00 0.00 C ATOM 1666 O LEU B 198 -14.011 7.064 1.412 1.00 0.00 O ATOM 1667 CB LEU B 198 -11.890 5.143 2.472 1.00 0.00 C ATOM 1668 CG LEU B 198 -10.822 4.052 2.276 1.00 0.00 C ATOM 1669 CD1 LEU B 198 -11.087 2.907 3.261 1.00 0.00 C ATOM 1670 CD2 LEU B 198 -10.840 3.489 0.855 1.00 0.00 C ATOM 0 H LEU B 198 -10.048 6.766 2.791 1.00 0.00 H new ATOM 0 HA LEU B 198 -11.706 6.106 0.555 1.00 0.00 H new ATOM 0 HB2 LEU B 198 -11.888 5.444 3.520 1.00 0.00 H new ATOM 0 HB3 LEU B 198 -12.869 4.709 2.267 1.00 0.00 H new ATOM 0 HG LEU B 198 -9.846 4.503 2.454 1.00 0.00 H new ATOM 0 HD11 LEU B 198 -10.334 2.130 3.127 1.00 0.00 H new ATOM 0 HD12 LEU B 198 -11.040 3.287 4.282 1.00 0.00 H new ATOM 0 HD13 LEU B 198 -12.076 2.489 3.075 1.00 0.00 H new ATOM 0 HD21 LEU B 198 -10.072 2.722 0.758 1.00 0.00 H new ATOM 0 HD22 LEU B 198 -11.817 3.052 0.649 1.00 0.00 H new ATOM 0 HD23 LEU B 198 -10.644 4.291 0.143 1.00 0.00 H new ATOM 1682 N ARG B 199 -12.702 8.423 2.640 1.00 0.00 N ATOM 1683 CA ARG B 199 -13.701 9.431 2.960 1.00 0.00 C ATOM 1684 C ARG B 199 -13.491 10.603 1.994 1.00 0.00 C ATOM 1685 O ARG B 199 -12.361 10.909 1.614 1.00 0.00 O ATOM 1686 CB ARG B 199 -13.596 9.893 4.429 1.00 0.00 C ATOM 1687 CG ARG B 199 -14.087 8.805 5.393 1.00 0.00 C ATOM 1688 CD ARG B 199 -14.190 9.307 6.841 1.00 0.00 C ATOM 1689 NE ARG B 199 -14.791 8.293 7.732 1.00 0.00 N ATOM 1690 CZ ARG B 199 -14.244 7.140 8.140 1.00 0.00 C ATOM 1691 NH1 ARG B 199 -12.975 6.848 7.881 1.00 0.00 N ATOM 1692 NH2 ARG B 199 -14.976 6.249 8.796 1.00 0.00 N ATOM 0 H ARG B 199 -11.801 8.612 3.080 1.00 0.00 H new ATOM 0 HA ARG B 199 -14.702 9.015 2.846 1.00 0.00 H new ATOM 0 HB2 ARG B 199 -12.561 10.146 4.660 1.00 0.00 H new ATOM 0 HB3 ARG B 199 -14.185 10.799 4.570 1.00 0.00 H new ATOM 0 HG2 ARG B 199 -15.063 8.447 5.065 1.00 0.00 H new ATOM 0 HG3 ARG B 199 -13.406 7.955 5.354 1.00 0.00 H new ATOM 0 HD2 ARG B 199 -13.197 9.569 7.206 1.00 0.00 H new ATOM 0 HD3 ARG B 199 -14.790 10.217 6.869 1.00 0.00 H new ATOM 0 HE ARG B 199 -15.730 8.494 8.076 1.00 0.00 H new ATOM 0 HH11 ARG B 199 -12.396 7.508 7.362 1.00 0.00 H new ATOM 0 HH12 ARG B 199 -12.579 5.964 8.201 1.00 0.00 H new ATOM 0 HH21 ARG B 199 -15.959 6.441 8.991 1.00 0.00 H new ATOM 0 HH22 ARG B 199 -14.556 5.372 9.105 1.00 0.00 H new ATOM 1706 N PRO B 200 -14.563 11.317 1.628 1.00 0.00 N ATOM 1707 CA PRO B 200 -14.508 12.443 0.694 1.00 0.00 C ATOM 1708 C PRO B 200 -13.675 13.643 1.152 1.00 0.00 C ATOM 1709 O PRO B 200 -13.386 14.528 0.346 1.00 0.00 O ATOM 1710 CB PRO B 200 -15.967 12.828 0.459 1.00 0.00 C ATOM 1711 CG PRO B 200 -16.706 12.289 1.678 1.00 0.00 C ATOM 1712 CD PRO B 200 -15.930 11.039 2.029 1.00 0.00 C ATOM 0 HA PRO B 200 -13.988 12.134 -0.213 1.00 0.00 H new ATOM 0 HB2 PRO B 200 -16.083 13.908 0.370 1.00 0.00 H new ATOM 0 HB3 PRO B 200 -16.349 12.390 -0.463 1.00 0.00 H new ATOM 0 HG2 PRO B 200 -16.706 13.007 2.499 1.00 0.00 H new ATOM 0 HG3 PRO B 200 -17.748 12.065 1.450 1.00 0.00 H new ATOM 0 HD2 PRO B 200 -15.992 10.823 3.096 1.00 0.00 H new ATOM 0 HD3 PRO B 200 -16.326 10.169 1.504 1.00 0.00 H new ATOM 1720 N GLN B 201 -13.306 13.684 2.432 1.00 0.00 N ATOM 1721 CA GLN B 201 -12.520 14.750 3.036 1.00 0.00 C ATOM 1722 C GLN B 201 -11.073 14.807 2.518 1.00 0.00 C ATOM 1723 O GLN B 201 -10.445 15.875 2.537 1.00 0.00 O ATOM 1724 CB GLN B 201 -12.577 14.520 4.553 1.00 0.00 C ATOM 1725 CG GLN B 201 -11.890 15.593 5.411 1.00 0.00 C ATOM 1726 CD GLN B 201 -12.218 15.409 6.892 1.00 0.00 C ATOM 1727 OE1 GLN B 201 -12.554 14.320 7.350 1.00 0.00 O ATOM 1728 NE2 GLN B 201 -12.185 16.466 7.682 1.00 0.00 N ATOM 0 H GLN B 201 -13.556 12.951 3.095 1.00 0.00 H new ATOM 0 HA GLN B 201 -12.937 15.720 2.765 1.00 0.00 H new ATOM 0 HB2 GLN B 201 -13.623 14.454 4.854 1.00 0.00 H new ATOM 0 HB3 GLN B 201 -12.120 13.555 4.774 1.00 0.00 H new ATOM 0 HG2 GLN B 201 -10.811 15.543 5.266 1.00 0.00 H new ATOM 0 HG3 GLN B 201 -12.210 16.583 5.085 1.00 0.00 H new ATOM 0 HE21 GLN B 201 -11.907 17.373 7.308 1.00 0.00 H new ATOM 0 HE22 GLN B 201 -12.438 16.375 8.666 1.00 0.00 H new ATOM 1737 N HIS B 202 -10.525 13.686 2.054 1.00 0.00 N ATOM 1738 CA HIS B 202 -9.160 13.633 1.559 1.00 0.00 C ATOM 1739 C HIS B 202 -9.071 14.105 0.109 1.00 0.00 C ATOM 1740 O HIS B 202 -10.043 14.031 -0.651 1.00 0.00 O ATOM 1741 CB HIS B 202 -8.669 12.190 1.663 1.00 0.00 C ATOM 1742 CG HIS B 202 -7.254 12.054 2.155 1.00 0.00 C ATOM 1743 ND1 HIS B 202 -6.159 11.636 1.430 1.00 0.00 N ATOM 1744 CD2 HIS B 202 -6.849 12.237 3.449 1.00 0.00 C ATOM 1745 CE1 HIS B 202 -5.117 11.561 2.274 1.00 0.00 C ATOM 1746 NE2 HIS B 202 -5.490 11.906 3.519 1.00 0.00 N ATOM 0 H HIS B 202 -11.017 12.793 2.012 1.00 0.00 H new ATOM 0 HA HIS B 202 -8.539 14.298 2.159 1.00 0.00 H new ATOM 0 HB2 HIS B 202 -9.329 11.641 2.334 1.00 0.00 H new ATOM 0 HB3 HIS B 202 -8.748 11.720 0.683 1.00 0.00 H new ATOM 0 HD2 HIS B 202 -7.466 12.576 4.268 1.00 0.00 H new ATOM 0 HE1 HIS B 202 -4.118 11.265 1.992 1.00 0.00 H new ATOM 0 HE2 HIS B 202 -4.900 11.923 4.351 1.00 0.00 H new ATOM 1754 N SER B 203 -7.892 14.549 -0.319 1.00 0.00 N ATOM 1755 CA SER B 203 -7.657 14.999 -1.689 1.00 0.00 C ATOM 1756 C SER B 203 -7.317 13.815 -2.608 1.00 0.00 C ATOM 1757 O SER B 203 -7.049 14.003 -3.796 1.00 0.00 O ATOM 1758 CB SER B 203 -6.608 16.107 -1.705 1.00 0.00 C ATOM 1759 OG SER B 203 -7.135 17.251 -2.351 1.00 0.00 O ATOM 0 H SER B 203 -7.067 14.607 0.278 1.00 0.00 H new ATOM 0 HA SER B 203 -8.573 15.431 -2.092 1.00 0.00 H new ATOM 0 HB2 SER B 203 -6.312 16.356 -0.686 1.00 0.00 H new ATOM 0 HB3 SER B 203 -5.712 15.765 -2.222 1.00 0.00 H new ATOM 0 HG SER B 203 -6.461 17.962 -2.359 1.00 0.00 H new ATOM 1765 N LEU B 204 -7.280 12.597 -2.056 1.00 0.00 N ATOM 1766 CA LEU B 204 -7.004 11.365 -2.789 1.00 0.00 C ATOM 1767 C LEU B 204 -8.306 10.621 -3.085 1.00 0.00 C ATOM 1768 O LEU B 204 -8.277 9.664 -3.854 1.00 0.00 O ATOM 1769 CB LEU B 204 -6.073 10.442 -1.990 1.00 0.00 C ATOM 1770 CG LEU B 204 -4.624 10.940 -1.876 1.00 0.00 C ATOM 1771 CD1 LEU B 204 -3.872 10.032 -0.896 1.00 0.00 C ATOM 1772 CD2 LEU B 204 -3.927 10.923 -3.244 1.00 0.00 C ATOM 0 H LEU B 204 -7.446 12.441 -1.062 1.00 0.00 H new ATOM 0 HA LEU B 204 -6.514 11.640 -3.723 1.00 0.00 H new ATOM 0 HB2 LEU B 204 -6.480 10.317 -0.987 1.00 0.00 H new ATOM 0 HB3 LEU B 204 -6.069 9.458 -2.458 1.00 0.00 H new ATOM 0 HG LEU B 204 -4.626 11.968 -1.515 1.00 0.00 H new ATOM 0 HD11 LEU B 204 -2.841 10.372 -0.803 1.00 0.00 H new ATOM 0 HD12 LEU B 204 -4.356 10.070 0.080 1.00 0.00 H new ATOM 0 HD13 LEU B 204 -3.884 9.007 -1.267 1.00 0.00 H new ATOM 0 HD21 LEU B 204 -2.903 11.280 -3.135 1.00 0.00 H new ATOM 0 HD22 LEU B 204 -3.917 9.905 -3.635 1.00 0.00 H new ATOM 0 HD23 LEU B 204 -4.466 11.571 -3.935 1.00 0.00 H new ATOM 1784 N PHE B 205 -9.434 11.043 -2.502 1.00 0.00 N ATOM 1785 CA PHE B 205 -10.729 10.405 -2.705 1.00 0.00 C ATOM 1786 C PHE B 205 -11.055 10.301 -4.190 1.00 0.00 C ATOM 1787 O PHE B 205 -11.406 9.220 -4.657 1.00 0.00 O ATOM 1788 CB PHE B 205 -11.828 11.153 -1.951 1.00 0.00 C ATOM 1789 CG PHE B 205 -13.170 10.470 -2.089 1.00 0.00 C ATOM 1790 CD1 PHE B 205 -14.014 10.754 -3.183 1.00 0.00 C ATOM 1791 CD2 PHE B 205 -13.567 9.529 -1.125 1.00 0.00 C ATOM 1792 CE1 PHE B 205 -15.238 10.081 -3.318 1.00 0.00 C ATOM 1793 CE2 PHE B 205 -14.822 8.916 -1.222 1.00 0.00 C ATOM 1794 CZ PHE B 205 -15.635 9.160 -2.337 1.00 0.00 C ATOM 0 H PHE B 205 -9.468 11.844 -1.872 1.00 0.00 H new ATOM 0 HA PHE B 205 -10.676 9.393 -2.302 1.00 0.00 H new ATOM 0 HB2 PHE B 205 -11.562 11.222 -0.896 1.00 0.00 H new ATOM 0 HB3 PHE B 205 -11.899 12.173 -2.329 1.00 0.00 H new ATOM 0 HD1 PHE B 205 -13.718 11.489 -3.917 1.00 0.00 H new ATOM 0 HD2 PHE B 205 -12.905 9.278 -0.310 1.00 0.00 H new ATOM 0 HE1 PHE B 205 -15.871 10.271 -4.172 1.00 0.00 H new ATOM 0 HE2 PHE B 205 -15.163 8.256 -0.438 1.00 0.00 H new ATOM 0 HZ PHE B 205 -16.573 8.636 -2.442 1.00 0.00 H new ATOM 1804 N ASN B 206 -10.909 11.402 -4.937 1.00 0.00 N ATOM 1805 CA ASN B 206 -11.171 11.440 -6.367 1.00 0.00 C ATOM 1806 C ASN B 206 -10.333 10.384 -7.095 1.00 0.00 C ATOM 1807 O ASN B 206 -10.877 9.626 -7.889 1.00 0.00 O ATOM 1808 CB ASN B 206 -10.939 12.850 -6.929 1.00 0.00 C ATOM 1809 CG ASN B 206 -9.480 13.281 -6.910 1.00 0.00 C ATOM 1810 OD1 ASN B 206 -8.736 13.056 -7.859 1.00 0.00 O ATOM 1811 ND2 ASN B 206 -9.028 13.843 -5.804 1.00 0.00 N ATOM 0 H ASN B 206 -10.602 12.297 -4.555 1.00 0.00 H new ATOM 0 HA ASN B 206 -12.220 11.198 -6.537 1.00 0.00 H new ATOM 0 HB2 ASN B 206 -11.307 12.888 -7.954 1.00 0.00 H new ATOM 0 HB3 ASN B 206 -11.527 13.563 -6.352 1.00 0.00 H new ATOM 0 HD21 ASN B 206 -8.044 14.099 -5.727 1.00 0.00 H new ATOM 0 HD22 ASN B 206 -9.663 14.022 -5.026 1.00 0.00 H new ATOM 1818 N TYR B 207 -9.033 10.283 -6.806 1.00 0.00 N ATOM 1819 CA TYR B 207 -8.138 9.316 -7.436 1.00 0.00 C ATOM 1820 C TYR B 207 -8.497 7.880 -7.032 1.00 0.00 C ATOM 1821 O TYR B 207 -8.340 6.950 -7.819 1.00 0.00 O ATOM 1822 CB TYR B 207 -6.691 9.647 -7.042 1.00 0.00 C ATOM 1823 CG TYR B 207 -5.672 8.611 -7.479 1.00 0.00 C ATOM 1824 CD1 TYR B 207 -5.355 8.484 -8.841 1.00 0.00 C ATOM 1825 CD2 TYR B 207 -5.066 7.755 -6.538 1.00 0.00 C ATOM 1826 CE1 TYR B 207 -4.413 7.539 -9.267 1.00 0.00 C ATOM 1827 CE2 TYR B 207 -4.130 6.790 -6.956 1.00 0.00 C ATOM 1828 CZ TYR B 207 -3.782 6.699 -8.324 1.00 0.00 C ATOM 1829 OH TYR B 207 -2.839 5.815 -8.749 1.00 0.00 O ATOM 0 H TYR B 207 -8.570 10.878 -6.120 1.00 0.00 H new ATOM 0 HA TYR B 207 -8.247 9.382 -8.519 1.00 0.00 H new ATOM 0 HB2 TYR B 207 -6.421 10.610 -7.474 1.00 0.00 H new ATOM 0 HB3 TYR B 207 -6.638 9.757 -5.959 1.00 0.00 H new ATOM 0 HD1 TYR B 207 -5.841 9.120 -9.566 1.00 0.00 H new ATOM 0 HD2 TYR B 207 -5.321 7.840 -5.492 1.00 0.00 H new ATOM 0 HE1 TYR B 207 -4.170 7.453 -10.316 1.00 0.00 H new ATOM 0 HE2 TYR B 207 -3.680 6.123 -6.236 1.00 0.00 H new ATOM 0 HH TYR B 207 -2.496 5.309 -7.983 1.00 0.00 H new ATOM 1839 N PHE B 208 -8.983 7.685 -5.811 1.00 0.00 N ATOM 1840 CA PHE B 208 -9.376 6.384 -5.318 1.00 0.00 C ATOM 1841 C PHE B 208 -10.655 5.946 -6.040 1.00 0.00 C ATOM 1842 O PHE B 208 -10.652 4.933 -6.735 1.00 0.00 O ATOM 1843 CB PHE B 208 -9.531 6.450 -3.793 1.00 0.00 C ATOM 1844 CG PHE B 208 -10.312 5.292 -3.210 1.00 0.00 C ATOM 1845 CD1 PHE B 208 -9.765 3.996 -3.206 1.00 0.00 C ATOM 1846 CD2 PHE B 208 -11.619 5.508 -2.731 1.00 0.00 C ATOM 1847 CE1 PHE B 208 -10.526 2.916 -2.727 1.00 0.00 C ATOM 1848 CE2 PHE B 208 -12.380 4.427 -2.259 1.00 0.00 C ATOM 1849 CZ PHE B 208 -11.835 3.132 -2.263 1.00 0.00 C ATOM 0 H PHE B 208 -9.114 8.437 -5.135 1.00 0.00 H new ATOM 0 HA PHE B 208 -8.616 5.631 -5.526 1.00 0.00 H new ATOM 0 HB2 PHE B 208 -8.541 6.475 -3.337 1.00 0.00 H new ATOM 0 HB3 PHE B 208 -10.029 7.383 -3.527 1.00 0.00 H new ATOM 0 HD1 PHE B 208 -8.762 3.831 -3.570 1.00 0.00 H new ATOM 0 HD2 PHE B 208 -12.035 6.505 -2.727 1.00 0.00 H new ATOM 0 HE1 PHE B 208 -10.106 1.921 -2.715 1.00 0.00 H new ATOM 0 HE2 PHE B 208 -13.383 4.591 -1.893 1.00 0.00 H new ATOM 0 HZ PHE B 208 -12.424 2.299 -1.908 1.00 0.00 H new ATOM 1859 N THR B 209 -11.743 6.710 -5.922 1.00 0.00 N ATOM 1860 CA THR B 209 -13.024 6.385 -6.537 1.00 0.00 C ATOM 1861 C THR B 209 -12.904 6.265 -8.071 1.00 0.00 C ATOM 1862 O THR B 209 -13.485 5.345 -8.649 1.00 0.00 O ATOM 1863 CB THR B 209 -14.093 7.353 -5.979 1.00 0.00 C ATOM 1864 OG1 THR B 209 -15.392 6.796 -6.009 1.00 0.00 O ATOM 1865 CG2 THR B 209 -14.117 8.718 -6.659 1.00 0.00 C ATOM 0 H THR B 209 -11.756 7.580 -5.390 1.00 0.00 H new ATOM 0 HA THR B 209 -13.367 5.387 -6.264 1.00 0.00 H new ATOM 0 HB THR B 209 -13.789 7.509 -4.944 1.00 0.00 H new ATOM 0 HG1 THR B 209 -16.033 7.442 -5.646 1.00 0.00 H new ATOM 0 HG21 THR B 209 -14.894 9.335 -6.209 1.00 0.00 H new ATOM 0 HG22 THR B 209 -13.149 9.204 -6.534 1.00 0.00 H new ATOM 0 HG23 THR B 209 -14.324 8.592 -7.722 1.00 0.00 H new ATOM 1873 N LYS B 210 -12.086 7.101 -8.738 1.00 0.00 N ATOM 1874 CA LYS B 210 -11.901 7.028 -10.195 1.00 0.00 C ATOM 1875 C LYS B 210 -11.266 5.699 -10.616 1.00 0.00 C ATOM 1876 O LYS B 210 -11.338 5.335 -11.791 1.00 0.00 O ATOM 1877 CB LYS B 210 -11.135 8.238 -10.717 1.00 0.00 C ATOM 1878 CG LYS B 210 -9.621 8.140 -10.577 1.00 0.00 C ATOM 1879 CD LYS B 210 -8.937 9.313 -11.269 1.00 0.00 C ATOM 1880 CE LYS B 210 -9.084 9.173 -12.787 1.00 0.00 C ATOM 1881 NZ LYS B 210 -8.030 8.347 -13.405 1.00 0.00 N ATOM 0 H LYS B 210 -11.542 7.836 -8.287 1.00 0.00 H new ATOM 0 HA LYS B 210 -12.886 7.058 -10.660 1.00 0.00 H new ATOM 0 HB2 LYS B 210 -11.381 8.381 -11.769 1.00 0.00 H new ATOM 0 HB3 LYS B 210 -11.479 9.126 -10.186 1.00 0.00 H new ATOM 0 HG2 LYS B 210 -9.349 8.126 -9.522 1.00 0.00 H new ATOM 0 HG3 LYS B 210 -9.271 7.203 -11.009 1.00 0.00 H new ATOM 0 HD2 LYS B 210 -9.379 10.252 -10.936 1.00 0.00 H new ATOM 0 HD3 LYS B 210 -7.882 9.343 -10.997 1.00 0.00 H new ATOM 0 HE2 LYS B 210 -10.057 8.735 -13.011 1.00 0.00 H new ATOM 0 HE3 LYS B 210 -9.069 10.165 -13.239 1.00 0.00 H new ATOM 0 HZ1 LYS B 210 -8.188 8.293 -14.431 1.00 0.00 H new ATOM 0 HZ2 LYS B 210 -7.100 8.775 -13.220 1.00 0.00 H new ATOM 0 HZ3 LYS B 210 -8.057 7.390 -13.000 1.00 0.00 H new ATOM 1895 N LEU B 211 -10.561 5.005 -9.715 1.00 0.00 N ATOM 1896 CA LEU B 211 -9.949 3.717 -10.011 1.00 0.00 C ATOM 1897 C LEU B 211 -11.006 2.637 -9.817 1.00 0.00 C ATOM 1898 O LEU B 211 -11.040 1.696 -10.601 1.00 0.00 O ATOM 1899 CB LEU B 211 -8.736 3.434 -9.108 1.00 0.00 C ATOM 1900 CG LEU B 211 -7.448 4.163 -9.527 1.00 0.00 C ATOM 1901 CD1 LEU B 211 -6.427 4.076 -8.385 1.00 0.00 C ATOM 1902 CD2 LEU B 211 -6.828 3.531 -10.780 1.00 0.00 C ATOM 0 H LEU B 211 -10.402 5.327 -8.760 1.00 0.00 H new ATOM 0 HA LEU B 211 -9.585 3.726 -11.038 1.00 0.00 H new ATOM 0 HB2 LEU B 211 -8.985 3.720 -8.086 1.00 0.00 H new ATOM 0 HB3 LEU B 211 -8.546 2.361 -9.101 1.00 0.00 H new ATOM 0 HG LEU B 211 -7.703 5.200 -9.747 1.00 0.00 H new ATOM 0 HD11 LEU B 211 -5.511 4.591 -8.676 1.00 0.00 H new ATOM 0 HD12 LEU B 211 -6.839 4.545 -7.492 1.00 0.00 H new ATOM 0 HD13 LEU B 211 -6.204 3.030 -8.175 1.00 0.00 H new ATOM 0 HD21 LEU B 211 -5.920 4.071 -11.048 1.00 0.00 H new ATOM 0 HD22 LEU B 211 -6.584 2.488 -10.579 1.00 0.00 H new ATOM 0 HD23 LEU B 211 -7.539 3.585 -11.604 1.00 0.00 H new ATOM 1914 N VAL B 212 -11.868 2.749 -8.797 1.00 0.00 N ATOM 1915 CA VAL B 212 -12.900 1.743 -8.552 1.00 0.00 C ATOM 1916 C VAL B 212 -13.838 1.706 -9.753 1.00 0.00 C ATOM 1917 O VAL B 212 -14.085 0.634 -10.293 1.00 0.00 O ATOM 1918 CB VAL B 212 -13.677 2.016 -7.248 1.00 0.00 C ATOM 1919 CG1 VAL B 212 -14.595 0.829 -6.922 1.00 0.00 C ATOM 1920 CG2 VAL B 212 -12.738 2.237 -6.053 1.00 0.00 C ATOM 0 H VAL B 212 -11.868 3.524 -8.133 1.00 0.00 H new ATOM 0 HA VAL B 212 -12.423 0.771 -8.425 1.00 0.00 H new ATOM 0 HB VAL B 212 -14.259 2.923 -7.411 1.00 0.00 H new ATOM 0 HG11 VAL B 212 -15.139 1.032 -5.999 1.00 0.00 H new ATOM 0 HG12 VAL B 212 -15.304 0.683 -7.737 1.00 0.00 H new ATOM 0 HG13 VAL B 212 -13.994 -0.072 -6.798 1.00 0.00 H new ATOM 0 HG21 VAL B 212 -13.328 2.426 -5.156 1.00 0.00 H new ATOM 0 HG22 VAL B 212 -12.125 1.349 -5.903 1.00 0.00 H new ATOM 0 HG23 VAL B 212 -12.094 3.094 -6.250 1.00 0.00 H new ATOM 1930 N GLU B 213 -14.308 2.871 -10.199 1.00 0.00 N ATOM 1931 CA GLU B 213 -15.221 3.011 -11.329 1.00 0.00 C ATOM 1932 C GLU B 213 -14.592 2.516 -12.631 1.00 0.00 C ATOM 1933 O GLU B 213 -15.306 2.110 -13.541 1.00 0.00 O ATOM 1934 CB GLU B 213 -15.630 4.485 -11.445 1.00 0.00 C ATOM 1935 CG GLU B 213 -16.513 4.915 -10.268 1.00 0.00 C ATOM 1936 CD GLU B 213 -17.977 4.531 -10.495 1.00 0.00 C ATOM 1937 OE1 GLU B 213 -18.360 3.391 -10.152 1.00 0.00 O ATOM 1938 OE2 GLU B 213 -18.758 5.354 -11.024 1.00 0.00 O ATOM 0 H GLU B 213 -14.057 3.763 -9.773 1.00 0.00 H new ATOM 0 HA GLU B 213 -16.101 2.393 -11.154 1.00 0.00 H new ATOM 0 HB2 GLU B 213 -14.738 5.110 -11.480 1.00 0.00 H new ATOM 0 HB3 GLU B 213 -16.166 4.643 -12.381 1.00 0.00 H new ATOM 0 HG2 GLU B 213 -16.152 4.449 -9.351 1.00 0.00 H new ATOM 0 HG3 GLU B 213 -16.436 5.993 -10.129 1.00 0.00 H new ATOM 1945 N GLN B 214 -13.265 2.568 -12.743 1.00 0.00 N ATOM 1946 CA GLN B 214 -12.537 2.113 -13.920 1.00 0.00 C ATOM 1947 C GLN B 214 -12.450 0.580 -13.925 1.00 0.00 C ATOM 1948 O GLN B 214 -12.411 -0.035 -14.991 1.00 0.00 O ATOM 1949 CB GLN B 214 -11.149 2.768 -13.899 1.00 0.00 C ATOM 1950 CG GLN B 214 -10.296 2.435 -15.121 1.00 0.00 C ATOM 1951 CD GLN B 214 -9.002 3.248 -15.109 1.00 0.00 C ATOM 1952 OE1 GLN B 214 -8.141 3.050 -14.256 1.00 0.00 O ATOM 1953 NE2 GLN B 214 -8.808 4.183 -16.020 1.00 0.00 N ATOM 0 H GLN B 214 -12.660 2.933 -12.007 1.00 0.00 H new ATOM 0 HA GLN B 214 -13.053 2.403 -14.835 1.00 0.00 H new ATOM 0 HB2 GLN B 214 -11.268 3.849 -13.834 1.00 0.00 H new ATOM 0 HB3 GLN B 214 -10.620 2.450 -13.000 1.00 0.00 H new ATOM 0 HG2 GLN B 214 -10.063 1.370 -15.130 1.00 0.00 H new ATOM 0 HG3 GLN B 214 -10.857 2.646 -16.032 1.00 0.00 H new ATOM 0 HE21 GLN B 214 -9.517 4.355 -16.733 1.00 0.00 H new ATOM 0 HE22 GLN B 214 -7.949 4.733 -16.011 1.00 0.00 H new ATOM 1962 N TYR B 215 -12.391 -0.029 -12.742 1.00 0.00 N ATOM 1963 CA TYR B 215 -12.303 -1.470 -12.551 1.00 0.00 C ATOM 1964 C TYR B 215 -13.684 -2.143 -12.537 1.00 0.00 C ATOM 1965 O TYR B 215 -13.768 -3.304 -12.954 1.00 0.00 O ATOM 1966 CB TYR B 215 -11.548 -1.771 -11.246 1.00 0.00 C ATOM 1967 CG TYR B 215 -10.094 -1.326 -11.150 1.00 0.00 C ATOM 1968 CD1 TYR B 215 -9.245 -1.372 -12.274 1.00 0.00 C ATOM 1969 CD2 TYR B 215 -9.580 -0.894 -9.907 1.00 0.00 C ATOM 1970 CE1 TYR B 215 -7.908 -0.962 -12.160 1.00 0.00 C ATOM 1971 CE2 TYR B 215 -8.236 -0.490 -9.784 1.00 0.00 C ATOM 1972 CZ TYR B 215 -7.404 -0.517 -10.923 1.00 0.00 C ATOM 1973 OH TYR B 215 -6.102 -0.135 -10.841 1.00 0.00 O ATOM 0 H TYR B 215 -12.404 0.487 -11.862 1.00 0.00 H new ATOM 0 HA TYR B 215 -11.757 -1.885 -13.398 1.00 0.00 H new ATOM 0 HB2 TYR B 215 -12.096 -1.306 -10.427 1.00 0.00 H new ATOM 0 HB3 TYR B 215 -11.581 -2.848 -11.080 1.00 0.00 H new ATOM 0 HD1 TYR B 215 -9.623 -1.723 -13.223 1.00 0.00 H new ATOM 0 HD2 TYR B 215 -10.225 -0.873 -9.041 1.00 0.00 H new ATOM 0 HE1 TYR B 215 -7.262 -0.988 -13.025 1.00 0.00 H new ATOM 0 HE2 TYR B 215 -7.848 -0.164 -8.830 1.00 0.00 H new ATOM 0 HH TYR B 215 -5.901 0.148 -9.924 1.00 0.00 H new ATOM 1983 N THR B 216 -14.750 -1.497 -12.048 1.00 0.00 N ATOM 1984 CA THR B 216 -16.090 -2.090 -12.023 1.00 0.00 C ATOM 1985 C THR B 216 -16.673 -2.203 -13.442 1.00 0.00 C ATOM 1986 O THR B 216 -16.030 -1.829 -14.426 1.00 0.00 O ATOM 1987 CB THR B 216 -17.014 -1.336 -11.039 1.00 0.00 C ATOM 1988 OG1 THR B 216 -16.982 0.068 -11.177 1.00 0.00 O ATOM 1989 CG2 THR B 216 -16.650 -1.676 -9.598 1.00 0.00 C ATOM 0 H THR B 216 -14.707 -0.554 -11.661 1.00 0.00 H new ATOM 0 HA THR B 216 -16.012 -3.110 -11.646 1.00 0.00 H new ATOM 0 HB THR B 216 -18.022 -1.670 -11.286 1.00 0.00 H new ATOM 0 HG1 THR B 216 -17.590 0.475 -10.525 1.00 0.00 H new ATOM 0 HG21 THR B 216 -17.310 -1.137 -8.919 1.00 0.00 H new ATOM 0 HG22 THR B 216 -16.762 -2.748 -9.438 1.00 0.00 H new ATOM 0 HG23 THR B 216 -15.617 -1.387 -9.406 1.00 0.00 H new