USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 599 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 Set 1.1: A 220 TYR OH : rot -147:sc= 1.23 USER MOD Set 1.2: A 224 GLN : amide:sc= 1.03 K(o=2.3,f=-0.83) USER MOD Set 2.1: A 195 THR OG1 : rot -168:sc= 0.648 USER MOD Set 2.2: A 198 GLN : amide:sc= 0.61 X(o=1.3,f=1.3) USER MOD Set 3.1: A 173 MET CE :methyl 163:sc= -0.0735 (180deg=-0.13) USER MOD Set 3.2: A 223 HIS : no HD1:sc= 0.541 K(o=0.47,f=-5.1!) USER MOD Single : A 171 ASN : amide:sc=-0.00782 K(o=-0.0078,f=-1.1) USER MOD Single : A 172 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 174 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 180 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00421) USER MOD Single : A 181 GLN : amide:sc= 0.156 K(o=0.16,f=-4.2!) USER MOD Single : A 184 GLN : amide:sc= -0.327 X(o=-0.33,f=-0.36) USER MOD Single : A 188 ASN : amide:sc= -0.416 X(o=-0.42,f=-0.13) USER MOD Single : A 192 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 194 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 197 GLN : amide:sc= 0 X(o=0,f=-0.0066) USER MOD Single : A 200 THR OG1 : rot 66:sc= 0.247 USER MOD Single : A 204 GLN : amide:sc= -0.184 K(o=-0.18,f=-1.5!) USER MOD Single : A 205 GLN : amide:sc= -0.242 K(o=-0.24,f=-3.6!) USER MOD Single : A 206 LYS NZ :NH3+ 159:sc= -0.114 (180deg=-0.503) USER MOD Single : A 209 THR OG1 : rot -62:sc= 1.09 USER MOD Single : A 211 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 213 MET CE :methyl 169:sc= -0.101 (180deg=-0.32) USER MOD Single : A 217 LYS NZ :NH3+ 165:sc= 1.08 (180deg=0.0606!) USER MOD Single : A 221 LYS NZ :NH3+ 140:sc= 0.0844 (180deg=-0.718) USER MOD Single : A 225 GLN : amide:sc= -0.337 K(o=-0.34,f=-1.1) USER MOD Single : A 229 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 116 ASN : amide:sc= -0.0244 X(o=-0.024,f=-0.5) USER MOD Single : B 117 SER OG : rot 180:sc= 0 USER MOD Single : B 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 121 THR OG1 : rot -38:sc= 0.143 USER MOD Single : B 122 SER OG : rot 176:sc= -0.902! USER MOD ----------------------------------------------------------------- ATOM 200 N LEU A 169 -5.408 2.529 -7.587 1.00 5.81 N ATOM 201 CA LEU A 169 -4.894 2.750 -6.246 1.00 5.44 C ATOM 202 C LEU A 169 -3.836 1.709 -5.920 1.00 5.18 C ATOM 203 O LEU A 169 -2.739 2.038 -5.470 1.00 5.07 O ATOM 204 CB LEU A 169 -6.024 2.688 -5.214 1.00 5.36 C ATOM 205 CG LEU A 169 -7.116 3.751 -5.367 1.00 5.65 C ATOM 206 CD1 LEU A 169 -8.183 3.571 -4.301 1.00 5.76 C ATOM 207 CD2 LEU A 169 -6.521 5.150 -5.291 1.00 5.82 C ATOM 0 HA LEU A 169 -4.447 3.743 -6.207 1.00 5.44 H new ATOM 0 HB2 LEU A 169 -6.489 1.704 -5.269 1.00 5.36 H new ATOM 0 HB3 LEU A 169 -5.589 2.780 -4.219 1.00 5.36 H new ATOM 0 HG LEU A 169 -7.578 3.628 -6.347 1.00 5.65 H new ATOM 0 HD11 LEU A 169 -8.952 4.334 -4.423 1.00 5.76 H new ATOM 0 HD12 LEU A 169 -8.633 2.583 -4.400 1.00 5.76 H new ATOM 0 HD13 LEU A 169 -7.731 3.666 -3.314 1.00 5.76 H new ATOM 0 HD21 LEU A 169 -7.314 5.889 -5.402 1.00 5.82 H new ATOM 0 HD22 LEU A 169 -6.031 5.285 -4.327 1.00 5.82 H new ATOM 0 HD23 LEU A 169 -5.791 5.279 -6.090 1.00 5.82 H new ATOM 219 N VAL A 170 -4.168 0.454 -6.184 1.00 5.20 N ATOM 220 CA VAL A 170 -3.261 -0.651 -5.914 1.00 5.06 C ATOM 221 C VAL A 170 -2.069 -0.634 -6.869 1.00 5.34 C ATOM 222 O VAL A 170 -0.934 -0.886 -6.463 1.00 5.28 O ATOM 223 CB VAL A 170 -3.983 -2.012 -6.028 1.00 5.24 C ATOM 224 CG1 VAL A 170 -3.058 -3.152 -5.624 1.00 5.25 C ATOM 225 CG2 VAL A 170 -5.247 -2.022 -5.179 1.00 5.42 C ATOM 0 H VAL A 170 -5.063 0.175 -6.587 1.00 5.20 H new ATOM 0 HA VAL A 170 -2.903 -0.524 -4.893 1.00 5.06 H new ATOM 0 HB VAL A 170 -4.267 -2.158 -7.070 1.00 5.24 H new ATOM 0 HG11 VAL A 170 -3.589 -4.100 -5.712 1.00 5.25 H new ATOM 0 HG12 VAL A 170 -2.186 -3.162 -6.278 1.00 5.25 H new ATOM 0 HG13 VAL A 170 -2.736 -3.011 -4.592 1.00 5.25 H new ATOM 0 HG21 VAL A 170 -5.741 -2.989 -5.273 1.00 5.42 H new ATOM 0 HG22 VAL A 170 -4.986 -1.848 -4.135 1.00 5.42 H new ATOM 0 HG23 VAL A 170 -5.921 -1.236 -5.520 1.00 5.42 H new ATOM 235 N ASN A 171 -2.336 -0.303 -8.125 1.00 5.77 N ATOM 236 CA ASN A 171 -1.305 -0.265 -9.163 1.00 6.24 C ATOM 237 C ASN A 171 -0.183 0.714 -8.817 1.00 6.25 C ATOM 238 O ASN A 171 0.990 0.469 -9.113 1.00 6.59 O ATOM 239 CB ASN A 171 -1.931 0.122 -10.508 1.00 6.76 C ATOM 240 CG ASN A 171 -1.023 -0.183 -11.685 1.00 7.31 C ATOM 241 OD1 ASN A 171 -0.199 -1.096 -11.633 1.00 7.47 O ATOM 242 ND2 ASN A 171 -1.172 0.573 -12.760 1.00 7.80 N ATOM 0 H ASN A 171 -3.268 -0.054 -8.456 1.00 5.77 H new ATOM 0 HA ASN A 171 -0.869 -1.262 -9.230 1.00 6.24 H new ATOM 0 HB2 ASN A 171 -2.873 -0.412 -10.633 1.00 6.76 H new ATOM 0 HB3 ASN A 171 -2.166 1.186 -10.502 1.00 6.76 H new ATOM 0 HD21 ASN A 171 -0.593 0.408 -13.583 1.00 7.80 H new ATOM 0 HD22 ASN A 171 -1.866 1.321 -12.766 1.00 7.80 H new ATOM 249 N GLN A 172 -0.545 1.821 -8.187 1.00 6.00 N ATOM 250 CA GLN A 172 0.430 2.837 -7.822 1.00 6.13 C ATOM 251 C GLN A 172 1.068 2.552 -6.466 1.00 5.80 C ATOM 252 O GLN A 172 2.143 3.069 -6.160 1.00 6.06 O ATOM 253 CB GLN A 172 -0.228 4.209 -7.795 1.00 6.13 C ATOM 254 CG GLN A 172 -0.649 4.711 -9.165 1.00 6.58 C ATOM 255 CD GLN A 172 -1.323 6.061 -9.085 1.00 6.95 C ATOM 256 OE1 GLN A 172 -0.687 7.102 -9.252 1.00 7.27 O ATOM 257 NE2 GLN A 172 -2.613 6.044 -8.809 1.00 7.22 N ATOM 0 H GLN A 172 -1.505 2.038 -7.918 1.00 6.00 H new ATOM 0 HA GLN A 172 1.217 2.818 -8.576 1.00 6.13 H new ATOM 0 HB2 GLN A 172 -1.104 4.169 -7.147 1.00 6.13 H new ATOM 0 HB3 GLN A 172 0.464 4.925 -7.352 1.00 6.13 H new ATOM 0 HG2 GLN A 172 0.226 4.779 -9.812 1.00 6.58 H new ATOM 0 HG3 GLN A 172 -1.328 3.992 -9.623 1.00 6.58 H new ATOM 0 HE21 GLN A 172 -3.095 5.155 -8.679 1.00 7.22 H new ATOM 0 HE22 GLN A 172 -3.128 6.920 -8.725 1.00 7.22 H new ATOM 266 N MET A 173 0.407 1.739 -5.655 1.00 5.33 N ATOM 267 CA MET A 173 0.916 1.418 -4.323 1.00 5.03 C ATOM 268 C MET A 173 1.974 0.324 -4.373 1.00 5.21 C ATOM 269 O MET A 173 2.717 0.131 -3.413 1.00 5.01 O ATOM 270 CB MET A 173 -0.221 0.976 -3.396 1.00 4.54 C ATOM 271 CG MET A 173 -0.956 2.123 -2.720 1.00 4.49 C ATOM 272 SD MET A 173 -0.587 2.255 -0.958 1.00 4.57 S ATOM 273 CE MET A 173 1.201 2.416 -0.971 1.00 4.49 C ATOM 0 H MET A 173 -0.478 1.290 -5.891 1.00 5.33 H new ATOM 0 HA MET A 173 1.373 2.327 -3.931 1.00 5.03 H new ATOM 0 HB2 MET A 173 -0.937 0.390 -3.972 1.00 4.54 H new ATOM 0 HB3 MET A 173 0.186 0.318 -2.629 1.00 4.54 H new ATOM 0 HG2 MET A 173 -0.690 3.058 -3.212 1.00 4.49 H new ATOM 0 HG3 MET A 173 -2.029 1.987 -2.852 1.00 4.49 H new ATOM 0 HE1 MET A 173 1.539 2.802 -0.009 1.00 4.49 H new ATOM 0 HE2 MET A 173 1.653 1.440 -1.149 1.00 4.49 H new ATOM 0 HE3 MET A 173 1.499 3.103 -1.763 1.00 4.49 H new ATOM 283 N LYS A 174 2.047 -0.384 -5.492 1.00 5.68 N ATOM 284 CA LYS A 174 3.013 -1.468 -5.638 1.00 6.02 C ATOM 285 C LYS A 174 4.428 -0.924 -5.668 1.00 6.49 C ATOM 286 O LYS A 174 5.244 -1.228 -4.800 1.00 6.55 O ATOM 287 CB LYS A 174 2.743 -2.293 -6.898 1.00 6.45 C ATOM 288 CG LYS A 174 1.453 -3.086 -6.829 1.00 6.44 C ATOM 289 CD LYS A 174 1.583 -4.424 -7.535 1.00 6.92 C ATOM 290 CE LYS A 174 0.224 -5.072 -7.726 1.00 7.15 C ATOM 291 NZ LYS A 174 0.328 -6.454 -8.262 1.00 7.76 N1+ ATOM 0 H LYS A 174 1.454 -0.230 -6.308 1.00 5.68 H new ATOM 0 HA LYS A 174 2.903 -2.122 -4.773 1.00 6.02 H new ATOM 0 HB2 LYS A 174 2.706 -1.626 -7.760 1.00 6.45 H new ATOM 0 HB3 LYS A 174 3.575 -2.978 -7.061 1.00 6.45 H new ATOM 0 HG2 LYS A 174 1.180 -3.249 -5.786 1.00 6.44 H new ATOM 0 HG3 LYS A 174 0.646 -2.511 -7.283 1.00 6.44 H new ATOM 0 HD2 LYS A 174 2.062 -4.283 -8.504 1.00 6.92 H new ATOM 0 HD3 LYS A 174 2.227 -5.085 -6.954 1.00 6.92 H new ATOM 0 HE2 LYS A 174 -0.303 -5.093 -6.772 1.00 7.15 H new ATOM 0 HE3 LYS A 174 -0.373 -4.465 -8.406 1.00 7.15 H new ATOM 0 HZ1 LYS A 174 -0.625 -6.855 -8.375 1.00 7.76 H new ATOM 0 HZ2 LYS A 174 0.807 -6.433 -9.185 1.00 7.76 H new ATOM 0 HZ3 LYS A 174 0.875 -7.042 -7.601 1.00 7.76 H new ATOM 305 N VAL A 175 4.724 -0.126 -6.675 1.00 6.90 N ATOM 306 CA VAL A 175 6.033 0.462 -6.782 1.00 7.46 C ATOM 307 C VAL A 175 5.978 1.887 -6.264 1.00 7.44 C ATOM 308 O VAL A 175 5.885 2.846 -7.031 1.00 7.78 O ATOM 309 CB VAL A 175 6.553 0.462 -8.231 1.00 8.18 C ATOM 310 CG1 VAL A 175 8.063 0.620 -8.246 1.00 8.62 C ATOM 311 CG2 VAL A 175 6.142 -0.808 -8.964 1.00 8.33 C ATOM 0 H VAL A 175 4.077 0.125 -7.423 1.00 6.90 H new ATOM 0 HA VAL A 175 6.721 -0.139 -6.187 1.00 7.46 H new ATOM 0 HB VAL A 175 6.105 1.308 -8.752 1.00 8.18 H new ATOM 0 HG11 VAL A 175 8.419 0.619 -9.276 1.00 8.62 H new ATOM 0 HG12 VAL A 175 8.335 1.562 -7.770 1.00 8.62 H new ATOM 0 HG13 VAL A 175 8.521 -0.207 -7.703 1.00 8.62 H new ATOM 0 HG21 VAL A 175 6.524 -0.779 -9.985 1.00 8.33 H new ATOM 0 HG22 VAL A 175 6.553 -1.675 -8.448 1.00 8.33 H new ATOM 0 HG23 VAL A 175 5.055 -0.880 -8.985 1.00 8.33 H new ATOM 321 N ALA A 176 6.024 2.007 -4.955 1.00 7.10 N ATOM 322 CA ALA A 176 5.993 3.303 -4.300 1.00 7.14 C ATOM 323 C ALA A 176 6.944 3.310 -3.112 1.00 7.24 C ATOM 324 O ALA A 176 7.092 2.300 -2.426 1.00 6.92 O ATOM 325 CB ALA A 176 4.572 3.632 -3.856 1.00 6.59 C ATOM 0 H ALA A 176 6.084 1.215 -4.315 1.00 7.10 H new ATOM 0 HA ALA A 176 6.318 4.067 -5.006 1.00 7.14 H new ATOM 0 HB1 ALA A 176 4.560 4.606 -3.366 1.00 6.59 H new ATOM 0 HB2 ALA A 176 3.915 3.655 -4.726 1.00 6.59 H new ATOM 0 HB3 ALA A 176 4.223 2.871 -3.158 1.00 6.59 H new ATOM 331 N PRO A 177 7.646 4.427 -2.892 1.00 7.75 N ATOM 332 CA PRO A 177 8.574 4.564 -1.776 1.00 7.96 C ATOM 333 C PRO A 177 7.883 4.993 -0.486 1.00 7.58 C ATOM 334 O PRO A 177 6.862 5.682 -0.510 1.00 7.42 O ATOM 335 CB PRO A 177 9.523 5.648 -2.268 1.00 8.76 C ATOM 336 CG PRO A 177 8.690 6.520 -3.138 1.00 8.86 C ATOM 337 CD PRO A 177 7.602 5.650 -3.720 1.00 8.23 C ATOM 0 HA PRO A 177 9.062 3.623 -1.522 1.00 7.96 H new ATOM 0 HB2 PRO A 177 9.947 6.210 -1.435 1.00 8.76 H new ATOM 0 HB3 PRO A 177 10.359 5.220 -2.822 1.00 8.76 H new ATOM 0 HG2 PRO A 177 8.261 7.342 -2.564 1.00 8.86 H new ATOM 0 HG3 PRO A 177 9.293 6.965 -3.929 1.00 8.86 H new ATOM 0 HD2 PRO A 177 6.628 6.136 -3.663 1.00 8.23 H new ATOM 0 HD3 PRO A 177 7.787 5.428 -4.771 1.00 8.23 H new ATOM 345 N ILE A 178 8.443 4.570 0.636 1.00 7.53 N ATOM 346 CA ILE A 178 7.907 4.917 1.942 1.00 7.29 C ATOM 347 C ILE A 178 8.545 6.211 2.440 1.00 7.90 C ATOM 348 O ILE A 178 9.770 6.346 2.422 1.00 8.45 O ATOM 349 CB ILE A 178 8.162 3.790 2.970 1.00 7.03 C ATOM 350 CG1 ILE A 178 7.538 2.479 2.498 1.00 6.56 C ATOM 351 CG2 ILE A 178 7.610 4.165 4.338 1.00 6.79 C ATOM 352 CD1 ILE A 178 8.543 1.490 1.962 1.00 6.69 C ATOM 0 H ILE A 178 9.275 3.981 0.668 1.00 7.53 H new ATOM 0 HA ILE A 178 6.831 5.052 1.837 1.00 7.29 H new ATOM 0 HB ILE A 178 9.240 3.656 3.056 1.00 7.03 H new ATOM 0 HG12 ILE A 178 6.999 2.023 3.329 1.00 6.56 H new ATOM 0 HG13 ILE A 178 6.804 2.695 1.722 1.00 6.56 H new ATOM 0 HG21 ILE A 178 7.802 3.356 5.042 1.00 6.79 H new ATOM 0 HG22 ILE A 178 8.096 5.075 4.689 1.00 6.79 H new ATOM 0 HG23 ILE A 178 6.536 4.333 4.263 1.00 6.79 H new ATOM 0 HD11 ILE A 178 8.028 0.583 1.646 1.00 6.69 H new ATOM 0 HD12 ILE A 178 9.065 1.927 1.110 1.00 6.69 H new ATOM 0 HD13 ILE A 178 9.264 1.245 2.742 1.00 6.69 H new ATOM 364 N PRO A 179 7.728 7.192 2.861 1.00 7.89 N ATOM 365 CA PRO A 179 8.231 8.472 3.374 1.00 8.51 C ATOM 366 C PRO A 179 9.015 8.291 4.673 1.00 8.75 C ATOM 367 O PRO A 179 8.820 7.316 5.397 1.00 8.38 O ATOM 368 CB PRO A 179 6.958 9.290 3.617 1.00 8.36 C ATOM 369 CG PRO A 179 5.870 8.288 3.747 1.00 7.74 C ATOM 370 CD PRO A 179 6.256 7.138 2.859 1.00 7.36 C ATOM 0 HA PRO A 179 8.924 8.951 2.682 1.00 8.51 H new ATOM 0 HB2 PRO A 179 7.045 9.896 4.519 1.00 8.36 H new ATOM 0 HB3 PRO A 179 6.766 9.975 2.791 1.00 8.36 H new ATOM 0 HG2 PRO A 179 5.761 7.962 4.782 1.00 7.74 H new ATOM 0 HG3 PRO A 179 4.912 8.711 3.444 1.00 7.74 H new ATOM 0 HD2 PRO A 179 5.887 6.188 3.247 1.00 7.36 H new ATOM 0 HD3 PRO A 179 5.850 7.251 1.854 1.00 7.36 H new ATOM 378 N LYS A 180 9.877 9.251 4.974 1.00 9.42 N ATOM 379 CA LYS A 180 10.715 9.196 6.169 1.00 9.77 C ATOM 380 C LYS A 180 9.883 9.106 7.443 1.00 9.52 C ATOM 381 O LYS A 180 10.273 8.428 8.391 1.00 9.52 O ATOM 382 CB LYS A 180 11.647 10.409 6.227 1.00 10.55 C ATOM 383 CG LYS A 180 12.810 10.320 5.249 1.00 10.96 C ATOM 384 CD LYS A 180 13.848 9.306 5.712 1.00 11.55 C ATOM 385 CE LYS A 180 14.692 8.799 4.551 1.00 12.03 C ATOM 386 NZ LYS A 180 15.479 9.889 3.910 1.00 12.47 N1+ ATOM 0 H LYS A 180 10.017 10.085 4.404 1.00 9.42 H new ATOM 0 HA LYS A 180 11.316 8.289 6.104 1.00 9.77 H new ATOM 0 HB2 LYS A 180 11.072 11.311 6.017 1.00 10.55 H new ATOM 0 HB3 LYS A 180 12.039 10.510 7.239 1.00 10.55 H new ATOM 0 HG2 LYS A 180 12.438 10.039 4.264 1.00 10.96 H new ATOM 0 HG3 LYS A 180 13.277 11.300 5.146 1.00 10.96 H new ATOM 0 HD2 LYS A 180 14.495 9.763 6.461 1.00 11.55 H new ATOM 0 HD3 LYS A 180 13.347 8.466 6.193 1.00 11.55 H new ATOM 0 HE2 LYS A 180 15.371 8.025 4.908 1.00 12.03 H new ATOM 0 HE3 LYS A 180 14.043 8.336 3.807 1.00 12.03 H new ATOM 0 HZ1 LYS A 180 16.064 9.492 3.147 1.00 12.47 H new ATOM 0 HZ2 LYS A 180 14.830 10.600 3.515 1.00 12.47 H new ATOM 0 HZ3 LYS A 180 16.093 10.337 4.620 1.00 12.47 H new ATOM 400 N GLN A 181 8.733 9.768 7.456 1.00 9.38 N ATOM 401 CA GLN A 181 7.853 9.749 8.625 1.00 9.25 C ATOM 402 C GLN A 181 7.384 8.329 8.919 1.00 8.64 C ATOM 403 O GLN A 181 7.128 7.967 10.068 1.00 8.66 O ATOM 404 CB GLN A 181 6.639 10.658 8.413 1.00 9.25 C ATOM 405 CG GLN A 181 6.997 12.057 7.943 1.00 9.84 C ATOM 406 CD GLN A 181 6.863 12.211 6.443 1.00 9.79 C ATOM 407 OE1 GLN A 181 7.781 11.884 5.693 1.00 9.75 O ATOM 408 NE2 GLN A 181 5.725 12.718 6.001 1.00 9.99 N ATOM 0 H GLN A 181 8.386 10.324 6.675 1.00 9.38 H new ATOM 0 HA GLN A 181 8.424 10.121 9.476 1.00 9.25 H new ATOM 0 HB2 GLN A 181 5.975 10.198 7.681 1.00 9.25 H new ATOM 0 HB3 GLN A 181 6.083 10.730 9.348 1.00 9.25 H new ATOM 0 HG2 GLN A 181 6.351 12.781 8.439 1.00 9.84 H new ATOM 0 HG3 GLN A 181 8.020 12.287 8.240 1.00 9.84 H new ATOM 0 HE21 GLN A 181 4.991 12.975 6.661 1.00 9.99 H new ATOM 0 HE22 GLN A 181 5.581 12.852 5.000 1.00 9.99 H new ATOM 417 N LEU A 182 7.258 7.526 7.874 1.00 8.14 N ATOM 418 CA LEU A 182 6.825 6.149 8.030 1.00 7.55 C ATOM 419 C LEU A 182 8.023 5.204 8.143 1.00 7.61 C ATOM 420 O LEU A 182 7.952 4.187 8.829 1.00 7.33 O ATOM 421 CB LEU A 182 5.910 5.740 6.874 1.00 6.99 C ATOM 422 CG LEU A 182 4.523 6.398 6.865 1.00 6.82 C ATOM 423 CD1 LEU A 182 3.681 5.853 5.724 1.00 6.67 C ATOM 424 CD2 LEU A 182 3.815 6.188 8.195 1.00 6.66 C ATOM 0 H LEU A 182 7.449 7.804 6.912 1.00 8.14 H new ATOM 0 HA LEU A 182 6.257 6.074 8.957 1.00 7.55 H new ATOM 0 HB2 LEU A 182 6.411 5.977 5.935 1.00 6.99 H new ATOM 0 HB3 LEU A 182 5.780 4.658 6.902 1.00 6.99 H new ATOM 0 HG LEU A 182 4.657 7.469 6.716 1.00 6.82 H new ATOM 0 HD11 LEU A 182 2.702 6.331 5.734 1.00 6.67 H new ATOM 0 HD12 LEU A 182 4.176 6.060 4.775 1.00 6.67 H new ATOM 0 HD13 LEU A 182 3.560 4.776 5.843 1.00 6.67 H new ATOM 0 HD21 LEU A 182 2.835 6.663 8.164 1.00 6.66 H new ATOM 0 HD22 LEU A 182 3.695 5.120 8.379 1.00 6.66 H new ATOM 0 HD23 LEU A 182 4.407 6.630 8.996 1.00 6.66 H new ATOM 436 N LEU A 183 9.126 5.556 7.482 1.00 8.04 N ATOM 437 CA LEU A 183 10.341 4.737 7.509 1.00 8.24 C ATOM 438 C LEU A 183 10.933 4.670 8.910 1.00 8.55 C ATOM 439 O LEU A 183 11.473 3.644 9.322 1.00 8.54 O ATOM 440 CB LEU A 183 11.394 5.297 6.553 1.00 8.80 C ATOM 441 CG LEU A 183 11.302 4.804 5.108 1.00 8.62 C ATOM 442 CD1 LEU A 183 12.393 5.443 4.264 1.00 9.31 C ATOM 443 CD2 LEU A 183 11.405 3.284 5.057 1.00 8.25 C ATOM 0 H LEU A 183 9.204 6.404 6.920 1.00 8.04 H new ATOM 0 HA LEU A 183 10.058 3.733 7.194 1.00 8.24 H new ATOM 0 HB2 LEU A 183 11.317 6.384 6.553 1.00 8.80 H new ATOM 0 HB3 LEU A 183 12.381 5.047 6.941 1.00 8.80 H new ATOM 0 HG LEU A 183 10.334 5.095 4.700 1.00 8.62 H new ATOM 0 HD11 LEU A 183 12.316 5.084 3.238 1.00 9.31 H new ATOM 0 HD12 LEU A 183 12.277 6.527 4.279 1.00 9.31 H new ATOM 0 HD13 LEU A 183 13.369 5.177 4.670 1.00 9.31 H new ATOM 0 HD21 LEU A 183 11.338 2.949 4.022 1.00 8.25 H new ATOM 0 HD22 LEU A 183 12.360 2.970 5.479 1.00 8.25 H new ATOM 0 HD23 LEU A 183 10.591 2.845 5.634 1.00 8.25 H new ATOM 455 N GLN A 184 10.814 5.767 9.647 1.00 8.87 N ATOM 456 CA GLN A 184 11.345 5.843 11.003 1.00 9.25 C ATOM 457 C GLN A 184 10.524 5.003 11.976 1.00 8.85 C ATOM 458 O GLN A 184 10.837 4.934 13.165 1.00 9.14 O ATOM 459 CB GLN A 184 11.408 7.294 11.478 1.00 9.76 C ATOM 460 CG GLN A 184 12.437 8.133 10.736 1.00 10.33 C ATOM 461 CD GLN A 184 13.735 7.391 10.478 1.00 10.90 C ATOM 462 OE1 GLN A 184 13.917 6.776 9.426 1.00 11.17 O ATOM 463 NE2 GLN A 184 14.654 7.455 11.430 1.00 11.29 N ATOM 0 H GLN A 184 10.353 6.619 9.328 1.00 8.87 H new ATOM 0 HA GLN A 184 12.356 5.436 10.981 1.00 9.25 H new ATOM 0 HB2 GLN A 184 10.425 7.750 11.358 1.00 9.76 H new ATOM 0 HB3 GLN A 184 11.639 7.309 12.543 1.00 9.76 H new ATOM 0 HG2 GLN A 184 12.015 8.457 9.785 1.00 10.33 H new ATOM 0 HG3 GLN A 184 12.648 9.033 11.314 1.00 10.33 H new ATOM 0 HE21 GLN A 184 14.465 7.975 12.287 1.00 11.29 H new ATOM 0 HE22 GLN A 184 15.551 6.985 11.306 1.00 11.29 H new ATOM 472 N ARG A 185 9.466 4.384 11.470 1.00 8.24 N ATOM 473 CA ARG A 185 8.609 3.548 12.296 1.00 7.89 C ATOM 474 C ARG A 185 9.043 2.089 12.221 1.00 7.66 C ATOM 475 O ARG A 185 8.448 1.227 12.867 1.00 7.54 O ATOM 476 CB ARG A 185 7.152 3.679 11.865 1.00 7.40 C ATOM 477 CG ARG A 185 6.646 5.108 11.886 1.00 7.66 C ATOM 478 CD ARG A 185 5.162 5.181 11.575 1.00 7.53 C ATOM 479 NE ARG A 185 4.420 5.849 12.638 1.00 7.91 N ATOM 480 CZ ARG A 185 4.236 7.166 12.707 1.00 8.28 C ATOM 481 NH1 ARG A 185 4.785 7.974 11.803 1.00 8.35 N1+ ATOM 482 NH2 ARG A 185 3.527 7.681 13.702 1.00 8.81 N ATOM 0 H ARG A 185 9.182 4.446 10.492 1.00 8.24 H new ATOM 0 HA ARG A 185 8.702 3.888 13.327 1.00 7.89 H new ATOM 0 HB2 ARG A 185 7.041 3.276 10.858 1.00 7.40 H new ATOM 0 HB3 ARG A 185 6.530 3.071 12.522 1.00 7.40 H new ATOM 0 HG2 ARG A 185 6.835 5.547 12.866 1.00 7.66 H new ATOM 0 HG3 ARG A 185 7.200 5.701 11.159 1.00 7.66 H new ATOM 0 HD2 ARG A 185 5.013 5.715 10.636 1.00 7.53 H new ATOM 0 HD3 ARG A 185 4.770 4.174 11.435 1.00 7.53 H new ATOM 0 HE ARG A 185 4.017 5.271 13.375 1.00 7.91 H new ATOM 0 HH11 ARG A 185 5.352 7.586 11.049 1.00 8.35 H new ATOM 0 HH12 ARG A 185 4.639 8.982 11.864 1.00 8.35 H new ATOM 0 HH21 ARG A 185 3.124 7.069 14.412 1.00 8.81 H new ATOM 0 HH22 ARG A 185 3.384 8.689 13.758 1.00 8.81 H new ATOM 496 N ILE A 186 10.068 1.818 11.424 1.00 7.69 N ATOM 497 CA ILE A 186 10.585 0.462 11.278 1.00 7.57 C ATOM 498 C ILE A 186 12.033 0.408 11.755 1.00 8.20 C ATOM 499 O ILE A 186 12.958 0.634 10.977 1.00 8.43 O ATOM 500 CB ILE A 186 10.525 -0.037 9.817 1.00 7.11 C ATOM 501 CG1 ILE A 186 9.294 0.523 9.097 1.00 6.84 C ATOM 502 CG2 ILE A 186 10.516 -1.559 9.781 1.00 6.83 C ATOM 503 CD1 ILE A 186 9.260 0.203 7.618 1.00 6.52 C ATOM 0 H ILE A 186 10.559 2.519 10.868 1.00 7.69 H new ATOM 0 HA ILE A 186 9.953 -0.187 11.884 1.00 7.57 H new ATOM 0 HB ILE A 186 11.413 0.322 9.296 1.00 7.11 H new ATOM 0 HG12 ILE A 186 8.395 0.124 9.567 1.00 6.84 H new ATOM 0 HG13 ILE A 186 9.268 1.605 9.227 1.00 6.84 H new ATOM 0 HG21 ILE A 186 10.474 -1.898 8.746 1.00 6.83 H new ATOM 0 HG22 ILE A 186 11.423 -1.939 10.251 1.00 6.83 H new ATOM 0 HG23 ILE A 186 9.645 -1.931 10.321 1.00 6.83 H new ATOM 0 HD11 ILE A 186 8.361 0.631 7.174 1.00 6.52 H new ATOM 0 HD12 ILE A 186 10.140 0.626 7.134 1.00 6.52 H new ATOM 0 HD13 ILE A 186 9.254 -0.878 7.480 1.00 6.52 H new ATOM 515 N PRO A 187 12.248 0.142 13.052 1.00 8.55 N ATOM 516 CA PRO A 187 13.578 0.070 13.634 1.00 9.18 C ATOM 517 C PRO A 187 14.136 -1.353 13.662 1.00 9.19 C ATOM 518 O PRO A 187 13.547 -2.273 13.087 1.00 8.73 O ATOM 519 CB PRO A 187 13.326 0.583 15.052 1.00 9.56 C ATOM 520 CG PRO A 187 11.916 0.190 15.376 1.00 9.11 C ATOM 521 CD PRO A 187 11.212 -0.105 14.067 1.00 8.45 C ATOM 0 HA PRO A 187 14.319 0.636 13.069 1.00 9.18 H new ATOM 0 HB2 PRO A 187 14.029 0.142 15.759 1.00 9.56 H new ATOM 0 HB3 PRO A 187 13.454 1.664 15.107 1.00 9.56 H new ATOM 0 HG2 PRO A 187 11.902 -0.686 16.025 1.00 9.11 H new ATOM 0 HG3 PRO A 187 11.408 0.992 15.912 1.00 9.11 H new ATOM 0 HD2 PRO A 187 10.851 -1.133 14.029 1.00 8.45 H new ATOM 0 HD3 PRO A 187 10.347 0.542 13.922 1.00 8.45 H new ATOM 529 N ASN A 188 15.296 -1.506 14.308 1.00 9.77 N ATOM 530 CA ASN A 188 15.989 -2.795 14.460 1.00 9.94 C ATOM 531 C ASN A 188 16.697 -3.230 13.168 1.00 9.83 C ATOM 532 O ASN A 188 17.675 -3.981 13.211 1.00 9.99 O ATOM 533 CB ASN A 188 15.002 -3.886 14.925 1.00 9.66 C ATOM 534 CG ASN A 188 15.515 -5.297 14.694 1.00 9.91 C ATOM 535 OD1 ASN A 188 16.562 -5.686 15.210 1.00 10.35 O ATOM 536 ND2 ASN A 188 14.781 -6.074 13.913 1.00 9.83 N ATOM 0 H ASN A 188 15.789 -0.729 14.747 1.00 9.77 H new ATOM 0 HA ASN A 188 16.758 -2.660 15.221 1.00 9.94 H new ATOM 0 HB2 ASN A 188 14.796 -3.751 15.987 1.00 9.66 H new ATOM 0 HB3 ASN A 188 14.056 -3.760 14.398 1.00 9.66 H new ATOM 0 HD21 ASN A 188 15.078 -7.031 13.721 1.00 9.83 H new ATOM 0 HD22 ASN A 188 13.918 -5.716 13.503 1.00 9.83 H new ATOM 543 N ILE A 189 16.259 -2.708 12.032 1.00 9.66 N ATOM 544 CA ILE A 189 16.857 -3.058 10.756 1.00 9.64 C ATOM 545 C ILE A 189 17.011 -1.832 9.863 1.00 9.96 C ATOM 546 O ILE A 189 16.171 -0.926 9.893 1.00 9.97 O ATOM 547 CB ILE A 189 16.009 -4.113 10.006 1.00 9.24 C ATOM 548 CG1 ILE A 189 14.545 -3.664 9.932 1.00 9.23 C ATOM 549 CG2 ILE A 189 16.132 -5.484 10.672 1.00 9.06 C ATOM 550 CD1 ILE A 189 13.658 -4.566 9.097 1.00 9.09 C ATOM 0 H ILE A 189 15.491 -2.040 11.970 1.00 9.66 H new ATOM 0 HA ILE A 189 17.840 -3.474 10.975 1.00 9.64 H new ATOM 0 HB ILE A 189 16.390 -4.204 8.989 1.00 9.24 H new ATOM 0 HG12 ILE A 189 14.141 -3.612 10.943 1.00 9.23 H new ATOM 0 HG13 ILE A 189 14.507 -2.655 9.521 1.00 9.23 H new ATOM 0 HG21 ILE A 189 15.527 -6.209 10.127 1.00 9.06 H new ATOM 0 HG22 ILE A 189 17.175 -5.801 10.662 1.00 9.06 H new ATOM 0 HG23 ILE A 189 15.782 -5.421 11.702 1.00 9.06 H new ATOM 0 HD11 ILE A 189 12.640 -4.177 9.097 1.00 9.09 H new ATOM 0 HD12 ILE A 189 14.033 -4.600 8.074 1.00 9.09 H new ATOM 0 HD13 ILE A 189 13.662 -5.571 9.518 1.00 9.09 H new ATOM 562 N PRO A 190 18.098 -1.766 9.081 1.00 10.38 N ATOM 563 CA PRO A 190 18.339 -0.668 8.162 1.00 10.85 C ATOM 564 C PRO A 190 17.756 -0.965 6.783 1.00 10.73 C ATOM 565 O PRO A 190 18.176 -1.911 6.112 1.00 11.03 O ATOM 566 CB PRO A 190 19.860 -0.603 8.099 1.00 11.43 C ATOM 567 CG PRO A 190 20.343 -1.983 8.413 1.00 11.22 C ATOM 568 CD PRO A 190 19.197 -2.739 9.047 1.00 10.57 C ATOM 0 HA PRO A 190 17.876 0.265 8.483 1.00 10.85 H new ATOM 0 HB2 PRO A 190 20.197 -0.287 7.112 1.00 11.43 H new ATOM 0 HB3 PRO A 190 20.250 0.120 8.816 1.00 11.43 H new ATOM 0 HG2 PRO A 190 20.678 -2.486 7.506 1.00 11.22 H new ATOM 0 HG3 PRO A 190 21.197 -1.945 9.090 1.00 11.22 H new ATOM 0 HD2 PRO A 190 18.930 -3.620 8.464 1.00 10.57 H new ATOM 0 HD3 PRO A 190 19.454 -3.085 10.048 1.00 10.57 H new ATOM 576 N PRO A 191 16.775 -0.169 6.342 1.00 10.37 N ATOM 577 CA PRO A 191 16.140 -0.366 5.039 1.00 10.30 C ATOM 578 C PRO A 191 17.118 -0.128 3.887 1.00 10.68 C ATOM 579 O PRO A 191 17.277 -0.987 3.015 1.00 10.94 O ATOM 580 CB PRO A 191 15.007 0.672 5.033 1.00 9.89 C ATOM 581 CG PRO A 191 15.420 1.707 6.023 1.00 9.82 C ATOM 582 CD PRO A 191 16.216 0.983 7.071 1.00 10.13 C ATOM 0 HA PRO A 191 15.785 -1.387 4.898 1.00 10.30 H new ATOM 0 HB2 PRO A 191 14.875 1.106 4.042 1.00 9.89 H new ATOM 0 HB3 PRO A 191 14.056 0.218 5.311 1.00 9.89 H new ATOM 0 HG2 PRO A 191 16.017 2.485 5.548 1.00 9.82 H new ATOM 0 HG3 PRO A 191 14.550 2.196 6.462 1.00 9.82 H new ATOM 0 HD2 PRO A 191 17.001 1.615 7.487 1.00 10.13 H new ATOM 0 HD3 PRO A 191 15.588 0.665 7.904 1.00 10.13 H new ATOM 590 N ASN A 192 17.809 1.015 3.926 1.00 10.83 N ATOM 591 CA ASN A 192 18.792 1.395 2.898 1.00 11.33 C ATOM 592 C ASN A 192 18.150 1.569 1.525 1.00 11.24 C ATOM 593 O ASN A 192 18.847 1.677 0.513 1.00 11.75 O ATOM 594 CB ASN A 192 19.897 0.347 2.793 1.00 11.90 C ATOM 595 CG ASN A 192 21.265 0.899 3.146 1.00 12.46 C ATOM 596 OD1 ASN A 192 21.683 0.854 4.300 1.00 12.68 O ATOM 597 ND2 ASN A 192 21.961 1.440 2.158 1.00 12.84 N ATOM 0 H ASN A 192 17.705 1.705 4.670 1.00 10.83 H new ATOM 0 HA ASN A 192 19.212 2.351 3.209 1.00 11.33 H new ATOM 0 HB2 ASN A 192 19.665 -0.487 3.455 1.00 11.90 H new ATOM 0 HB3 ASN A 192 19.921 -0.049 1.778 1.00 11.90 H new ATOM 0 HD21 ASN A 192 22.881 1.840 2.342 1.00 12.84 H new ATOM 0 HD22 ASN A 192 21.577 1.457 1.213 1.00 12.84 H new ATOM 604 N ILE A 193 16.828 1.632 1.498 1.00 10.63 N ATOM 605 CA ILE A 193 16.090 1.811 0.257 1.00 10.51 C ATOM 606 C ILE A 193 14.789 2.529 0.545 1.00 9.90 C ATOM 607 O ILE A 193 14.441 2.743 1.710 1.00 9.52 O ATOM 608 CB ILE A 193 15.814 0.480 -0.496 1.00 10.37 C ATOM 609 CG1 ILE A 193 15.798 -0.726 0.446 1.00 10.58 C ATOM 610 CG2 ILE A 193 16.857 0.274 -1.586 1.00 10.81 C ATOM 611 CD1 ILE A 193 14.530 -0.850 1.260 1.00 10.26 C ATOM 0 H ILE A 193 16.240 1.561 2.328 1.00 10.63 H new ATOM 0 HA ILE A 193 16.717 2.409 -0.404 1.00 10.51 H new ATOM 0 HB ILE A 193 14.823 0.558 -0.943 1.00 10.37 H new ATOM 0 HG12 ILE A 193 15.932 -1.635 -0.141 1.00 10.58 H new ATOM 0 HG13 ILE A 193 16.648 -0.656 1.124 1.00 10.58 H new ATOM 0 HG21 ILE A 193 16.657 -0.661 -2.109 1.00 10.81 H new ATOM 0 HG22 ILE A 193 16.813 1.102 -2.293 1.00 10.81 H new ATOM 0 HG23 ILE A 193 17.849 0.233 -1.137 1.00 10.81 H new ATOM 0 HD11 ILE A 193 14.595 -1.728 1.903 1.00 10.26 H new ATOM 0 HD12 ILE A 193 14.404 0.041 1.875 1.00 10.26 H new ATOM 0 HD13 ILE A 193 13.676 -0.953 0.590 1.00 10.26 H new ATOM 623 N ASN A 194 14.072 2.905 -0.498 1.00 9.87 N ATOM 624 CA ASN A 194 12.824 3.632 -0.314 1.00 9.35 C ATOM 625 C ASN A 194 11.636 2.953 -0.991 1.00 8.86 C ATOM 626 O ASN A 194 10.549 2.910 -0.420 1.00 8.57 O ATOM 627 CB ASN A 194 12.968 5.062 -0.843 1.00 9.78 C ATOM 628 CG ASN A 194 13.312 6.078 0.240 1.00 10.10 C ATOM 629 OD1 ASN A 194 14.484 6.321 0.530 1.00 10.43 O ATOM 630 ND2 ASN A 194 12.301 6.699 0.828 1.00 10.17 N ATOM 0 H ASN A 194 14.325 2.724 -1.469 1.00 9.87 H new ATOM 0 HA ASN A 194 12.622 3.644 0.757 1.00 9.35 H new ATOM 0 HB2 ASN A 194 13.744 5.082 -1.608 1.00 9.78 H new ATOM 0 HB3 ASN A 194 12.037 5.358 -1.326 1.00 9.78 H new ATOM 0 HD21 ASN A 194 12.482 7.402 1.544 1.00 10.17 H new ATOM 0 HD22 ASN A 194 11.342 6.474 0.564 1.00 10.17 H new ATOM 637 N THR A 195 11.841 2.399 -2.182 1.00 8.88 N ATOM 638 CA THR A 195 10.749 1.773 -2.926 1.00 8.49 C ATOM 639 C THR A 195 10.329 0.438 -2.317 1.00 7.92 C ATOM 640 O THR A 195 11.177 -0.393 -1.998 1.00 8.08 O ATOM 641 CB THR A 195 11.174 1.544 -4.386 1.00 9.05 C ATOM 642 OG1 THR A 195 12.361 2.300 -4.668 1.00 9.80 O ATOM 643 CG2 THR A 195 10.068 1.954 -5.342 1.00 8.98 C ATOM 0 H THR A 195 12.746 2.370 -2.652 1.00 8.88 H new ATOM 0 HA THR A 195 9.897 2.451 -2.879 1.00 8.49 H new ATOM 0 HB THR A 195 11.374 0.481 -4.525 1.00 9.05 H new ATOM 0 HG1 THR A 195 12.523 2.307 -5.635 1.00 9.80 H new ATOM 0 HG21 THR A 195 10.392 1.783 -6.368 1.00 8.98 H new ATOM 0 HG22 THR A 195 9.175 1.363 -5.140 1.00 8.98 H new ATOM 0 HG23 THR A 195 9.842 3.011 -5.205 1.00 8.98 H new ATOM 651 N TRP A 196 9.010 0.232 -2.213 1.00 7.29 N ATOM 652 CA TRP A 196 8.439 -0.992 -1.643 1.00 6.73 C ATOM 653 C TRP A 196 9.006 -2.255 -2.290 1.00 7.00 C ATOM 654 O TRP A 196 9.303 -3.230 -1.600 1.00 6.84 O ATOM 655 CB TRP A 196 6.915 -0.990 -1.792 1.00 6.14 C ATOM 656 CG TRP A 196 6.189 -0.543 -0.562 1.00 5.65 C ATOM 657 CD1 TRP A 196 5.378 0.545 -0.440 1.00 5.54 C ATOM 658 CD2 TRP A 196 6.205 -1.177 0.723 1.00 5.33 C ATOM 659 NE1 TRP A 196 4.889 0.632 0.840 1.00 5.20 N ATOM 660 CE2 TRP A 196 5.383 -0.414 1.573 1.00 5.06 C ATOM 661 CE3 TRP A 196 6.836 -2.313 1.238 1.00 5.33 C ATOM 662 CZ2 TRP A 196 5.174 -0.752 2.909 1.00 4.84 C ATOM 663 CZ3 TRP A 196 6.629 -2.648 2.563 1.00 5.05 C ATOM 664 CH2 TRP A 196 5.806 -1.868 3.385 1.00 4.82 C ATOM 0 H TRP A 196 8.311 0.908 -2.521 1.00 7.29 H new ATOM 0 HA TRP A 196 8.711 -1.003 -0.588 1.00 6.73 H new ATOM 0 HB2 TRP A 196 6.641 -0.338 -2.621 1.00 6.14 H new ATOM 0 HB3 TRP A 196 6.583 -1.995 -2.053 1.00 6.14 H new ATOM 0 HD1 TRP A 196 5.152 1.239 -1.236 1.00 5.54 H new ATOM 0 HE1 TRP A 196 4.261 1.357 1.188 1.00 5.20 H new ATOM 0 HE3 TRP A 196 7.474 -2.918 0.612 1.00 5.33 H new ATOM 0 HZ2 TRP A 196 4.537 -0.155 3.545 1.00 4.84 H new ATOM 0 HZ3 TRP A 196 7.109 -3.525 2.971 1.00 5.05 H new ATOM 0 HH2 TRP A 196 5.667 -2.154 4.417 1.00 4.82 H new ATOM 675 N GLN A 197 9.155 -2.225 -3.610 1.00 7.47 N ATOM 676 CA GLN A 197 9.691 -3.363 -4.358 1.00 7.85 C ATOM 677 C GLN A 197 11.096 -3.723 -3.883 1.00 8.27 C ATOM 678 O GLN A 197 11.492 -4.889 -3.891 1.00 8.37 O ATOM 679 CB GLN A 197 9.704 -3.044 -5.851 1.00 8.38 C ATOM 680 CG GLN A 197 8.337 -3.163 -6.503 1.00 8.33 C ATOM 681 CD GLN A 197 7.996 -4.592 -6.870 1.00 8.43 C ATOM 682 OE1 GLN A 197 7.467 -5.347 -6.055 1.00 8.59 O ATOM 683 NE2 GLN A 197 8.290 -4.969 -8.104 1.00 8.60 N ATOM 0 H GLN A 197 8.911 -1.421 -4.189 1.00 7.47 H new ATOM 0 HA GLN A 197 9.046 -4.223 -4.180 1.00 7.85 H new ATOM 0 HB2 GLN A 197 10.081 -2.032 -5.996 1.00 8.38 H new ATOM 0 HB3 GLN A 197 10.398 -3.718 -6.353 1.00 8.38 H new ATOM 0 HG2 GLN A 197 7.578 -2.774 -5.824 1.00 8.33 H new ATOM 0 HG3 GLN A 197 8.310 -2.544 -7.400 1.00 8.33 H new ATOM 0 HE21 GLN A 197 8.729 -4.310 -8.748 1.00 8.60 H new ATOM 0 HE22 GLN A 197 8.078 -5.918 -8.411 1.00 8.60 H new ATOM 692 N GLN A 198 11.845 -2.712 -3.470 1.00 8.57 N ATOM 693 CA GLN A 198 13.200 -2.912 -2.977 1.00 9.03 C ATOM 694 C GLN A 198 13.168 -3.237 -1.489 1.00 8.61 C ATOM 695 O GLN A 198 14.072 -3.877 -0.957 1.00 8.82 O ATOM 696 CB GLN A 198 14.052 -1.669 -3.242 1.00 9.66 C ATOM 697 CG GLN A 198 14.251 -1.376 -4.721 1.00 10.19 C ATOM 698 CD GLN A 198 15.320 -0.335 -4.968 1.00 10.85 C ATOM 699 OE1 GLN A 198 16.504 -0.654 -5.054 1.00 11.11 O ATOM 700 NE2 GLN A 198 14.911 0.918 -5.088 1.00 11.29 N ATOM 0 H GLN A 198 11.536 -1.740 -3.466 1.00 8.57 H new ATOM 0 HA GLN A 198 13.650 -3.751 -3.507 1.00 9.03 H new ATOM 0 HB2 GLN A 198 13.581 -0.807 -2.769 1.00 9.66 H new ATOM 0 HB3 GLN A 198 15.026 -1.798 -2.771 1.00 9.66 H new ATOM 0 HG2 GLN A 198 14.520 -2.297 -5.237 1.00 10.19 H new ATOM 0 HG3 GLN A 198 13.309 -1.034 -5.150 1.00 10.19 H new ATOM 0 HE21 GLN A 198 13.919 1.140 -5.010 1.00 11.29 H new ATOM 0 HE22 GLN A 198 15.588 1.661 -5.259 1.00 11.29 H new ATOM 709 N VAL A 199 12.105 -2.798 -0.824 1.00 8.07 N ATOM 710 CA VAL A 199 11.929 -3.046 0.602 1.00 7.70 C ATOM 711 C VAL A 199 11.652 -4.531 0.843 1.00 7.32 C ATOM 712 O VAL A 199 12.001 -5.082 1.886 1.00 7.31 O ATOM 713 CB VAL A 199 10.774 -2.190 1.188 1.00 7.25 C ATOM 714 CG1 VAL A 199 10.606 -2.447 2.678 1.00 7.19 C ATOM 715 CG2 VAL A 199 11.013 -0.703 0.938 1.00 7.41 C ATOM 0 H VAL A 199 11.348 -2.266 -1.253 1.00 8.07 H new ATOM 0 HA VAL A 199 12.850 -2.760 1.109 1.00 7.70 H new ATOM 0 HB VAL A 199 9.856 -2.485 0.679 1.00 7.25 H new ATOM 0 HG11 VAL A 199 9.791 -1.835 3.063 1.00 7.19 H new ATOM 0 HG12 VAL A 199 10.378 -3.500 2.842 1.00 7.19 H new ATOM 0 HG13 VAL A 199 11.529 -2.190 3.198 1.00 7.19 H new ATOM 0 HG21 VAL A 199 10.189 -0.126 1.359 1.00 7.41 H new ATOM 0 HG22 VAL A 199 11.947 -0.400 1.411 1.00 7.41 H new ATOM 0 HG23 VAL A 199 11.074 -0.520 -0.135 1.00 7.41 H new ATOM 725 N THR A 200 11.047 -5.178 -0.143 1.00 7.10 N ATOM 726 CA THR A 200 10.728 -6.594 -0.052 1.00 6.83 C ATOM 727 C THR A 200 11.949 -7.459 -0.353 1.00 7.39 C ATOM 728 O THR A 200 11.985 -8.641 -0.008 1.00 7.30 O ATOM 729 CB THR A 200 9.586 -6.974 -1.012 1.00 6.60 C ATOM 730 OG1 THR A 200 9.350 -5.908 -1.946 1.00 6.76 O ATOM 731 CG2 THR A 200 8.310 -7.273 -0.240 1.00 6.11 C ATOM 0 H THR A 200 10.766 -4.740 -1.020 1.00 7.10 H new ATOM 0 HA THR A 200 10.406 -6.780 0.973 1.00 6.83 H new ATOM 0 HB THR A 200 9.882 -7.871 -1.557 1.00 6.60 H new ATOM 0 HG1 THR A 200 10.130 -5.807 -2.531 1.00 6.76 H new ATOM 0 HG21 THR A 200 7.516 -7.539 -0.938 1.00 6.11 H new ATOM 0 HG22 THR A 200 8.485 -8.103 0.444 1.00 6.11 H new ATOM 0 HG23 THR A 200 8.013 -6.391 0.328 1.00 6.11 H new ATOM 739 N ALA A 201 12.949 -6.862 -0.997 1.00 8.02 N ATOM 740 CA ALA A 201 14.169 -7.576 -1.364 1.00 8.63 C ATOM 741 C ALA A 201 14.867 -8.182 -0.148 1.00 8.64 C ATOM 742 O ALA A 201 15.402 -9.289 -0.222 1.00 8.93 O ATOM 743 CB ALA A 201 15.122 -6.650 -2.104 1.00 9.32 C ATOM 0 H ALA A 201 12.938 -5.881 -1.276 1.00 8.02 H new ATOM 0 HA ALA A 201 13.879 -8.396 -2.020 1.00 8.63 H new ATOM 0 HB1 ALA A 201 16.027 -7.197 -2.371 1.00 9.32 H new ATOM 0 HB2 ALA A 201 14.641 -6.281 -3.010 1.00 9.32 H new ATOM 0 HB3 ALA A 201 15.383 -5.808 -1.463 1.00 9.32 H new ATOM 749 N LEU A 202 14.860 -7.471 0.974 1.00 8.38 N ATOM 750 CA LEU A 202 15.509 -7.971 2.186 1.00 8.45 C ATOM 751 C LEU A 202 14.744 -9.152 2.780 1.00 8.04 C ATOM 752 O LEU A 202 15.300 -9.953 3.535 1.00 8.27 O ATOM 753 CB LEU A 202 15.685 -6.855 3.224 1.00 8.32 C ATOM 754 CG LEU A 202 14.464 -5.964 3.470 1.00 8.50 C ATOM 755 CD1 LEU A 202 13.636 -6.484 4.636 1.00 8.35 C ATOM 756 CD2 LEU A 202 14.906 -4.531 3.728 1.00 9.03 C ATOM 0 H LEU A 202 14.418 -6.557 1.072 1.00 8.38 H new ATOM 0 HA LEU A 202 16.500 -8.325 1.903 1.00 8.45 H new ATOM 0 HB2 LEU A 202 15.974 -7.310 4.171 1.00 8.32 H new ATOM 0 HB3 LEU A 202 16.514 -6.221 2.909 1.00 8.32 H new ATOM 0 HG LEU A 202 13.838 -5.985 2.578 1.00 8.50 H new ATOM 0 HD11 LEU A 202 12.775 -5.833 4.790 1.00 8.35 H new ATOM 0 HD12 LEU A 202 13.292 -7.495 4.416 1.00 8.35 H new ATOM 0 HD13 LEU A 202 14.247 -6.497 5.539 1.00 8.35 H new ATOM 0 HD21 LEU A 202 14.030 -3.906 3.902 1.00 9.03 H new ATOM 0 HD22 LEU A 202 15.552 -4.502 4.605 1.00 9.03 H new ATOM 0 HD23 LEU A 202 15.453 -4.157 2.862 1.00 9.03 H new ATOM 768 N ALA A 203 13.474 -9.278 2.419 1.00 7.51 N ATOM 769 CA ALA A 203 12.652 -10.374 2.910 1.00 7.19 C ATOM 770 C ALA A 203 13.059 -11.685 2.246 1.00 7.64 C ATOM 771 O ALA A 203 12.819 -12.766 2.784 1.00 7.71 O ATOM 772 CB ALA A 203 11.178 -10.093 2.669 1.00 6.60 C ATOM 0 H ALA A 203 12.992 -8.636 1.789 1.00 7.51 H new ATOM 0 HA ALA A 203 12.811 -10.464 3.984 1.00 7.19 H new ATOM 0 HB1 ALA A 203 10.583 -10.926 3.044 1.00 6.60 H new ATOM 0 HB2 ALA A 203 10.892 -9.179 3.190 1.00 6.60 H new ATOM 0 HB3 ALA A 203 11.001 -9.973 1.600 1.00 6.60 H new ATOM 778 N GLN A 204 13.708 -11.575 1.087 1.00 8.03 N ATOM 779 CA GLN A 204 14.165 -12.740 0.335 1.00 8.56 C ATOM 780 C GLN A 204 15.342 -13.409 1.037 1.00 9.11 C ATOM 781 O GLN A 204 15.734 -14.524 0.698 1.00 9.51 O ATOM 782 CB GLN A 204 14.582 -12.327 -1.076 1.00 8.89 C ATOM 783 CG GLN A 204 13.492 -11.614 -1.858 1.00 8.56 C ATOM 784 CD GLN A 204 14.034 -10.935 -3.099 1.00 8.93 C ATOM 785 OE1 GLN A 204 15.193 -10.514 -3.135 1.00 9.22 O ATOM 786 NE2 GLN A 204 13.204 -10.826 -4.125 1.00 9.16 N ATOM 0 H GLN A 204 13.930 -10.682 0.647 1.00 8.03 H new ATOM 0 HA GLN A 204 13.340 -13.450 0.276 1.00 8.56 H new ATOM 0 HB2 GLN A 204 15.453 -11.675 -1.010 1.00 8.89 H new ATOM 0 HB3 GLN A 204 14.889 -13.215 -1.628 1.00 8.89 H new ATOM 0 HG2 GLN A 204 12.723 -12.332 -2.144 1.00 8.56 H new ATOM 0 HG3 GLN A 204 13.014 -10.872 -1.219 1.00 8.56 H new ATOM 0 HE21 GLN A 204 12.253 -11.188 -4.053 1.00 9.16 H new ATOM 0 HE22 GLN A 204 13.515 -10.380 -4.988 1.00 9.16 H new ATOM 795 N GLN A 205 15.912 -12.712 2.014 1.00 9.17 N ATOM 796 CA GLN A 205 17.033 -13.235 2.782 1.00 9.72 C ATOM 797 C GLN A 205 16.518 -14.031 3.976 1.00 9.52 C ATOM 798 O GLN A 205 17.278 -14.393 4.873 1.00 9.93 O ATOM 799 CB GLN A 205 17.923 -12.088 3.262 1.00 10.00 C ATOM 800 CG GLN A 205 18.535 -11.273 2.135 1.00 10.36 C ATOM 801 CD GLN A 205 19.249 -10.034 2.640 1.00 10.95 C ATOM 802 OE1 GLN A 205 18.647 -8.971 2.782 1.00 11.13 O ATOM 803 NE2 GLN A 205 20.535 -10.162 2.914 1.00 11.44 N ATOM 0 H GLN A 205 15.613 -11.778 2.293 1.00 9.17 H new ATOM 0 HA GLN A 205 17.622 -13.893 2.144 1.00 9.72 H new ATOM 0 HB2 GLN A 205 17.335 -11.426 3.898 1.00 10.00 H new ATOM 0 HB3 GLN A 205 18.724 -12.496 3.879 1.00 10.00 H new ATOM 0 HG2 GLN A 205 19.239 -11.894 1.581 1.00 10.36 H new ATOM 0 HG3 GLN A 205 17.752 -10.979 1.436 1.00 10.36 H new ATOM 0 HE21 GLN A 205 20.997 -11.062 2.783 1.00 11.44 H new ATOM 0 HE22 GLN A 205 21.066 -9.361 3.257 1.00 11.44 H new ATOM 812 N LYS A 206 15.206 -14.279 3.974 1.00 8.93 N ATOM 813 CA LYS A 206 14.543 -15.028 5.039 1.00 8.75 C ATOM 814 C LYS A 206 14.619 -14.273 6.362 1.00 8.72 C ATOM 815 O LYS A 206 14.579 -14.870 7.437 1.00 8.89 O ATOM 816 CB LYS A 206 15.149 -16.428 5.186 1.00 9.26 C ATOM 817 CG LYS A 206 14.848 -17.346 4.011 1.00 9.36 C ATOM 818 CD LYS A 206 13.351 -17.574 3.839 1.00 9.64 C ATOM 819 CE LYS A 206 13.070 -18.742 2.905 1.00 9.95 C ATOM 820 NZ LYS A 206 13.572 -20.028 3.459 1.00 10.29 N1+ ATOM 0 H LYS A 206 14.576 -13.966 3.235 1.00 8.93 H new ATOM 0 HA LYS A 206 13.494 -15.138 4.765 1.00 8.75 H new ATOM 0 HB2 LYS A 206 16.229 -16.338 5.299 1.00 9.26 H new ATOM 0 HB3 LYS A 206 14.770 -16.885 6.100 1.00 9.26 H new ATOM 0 HG2 LYS A 206 15.257 -16.913 3.098 1.00 9.36 H new ATOM 0 HG3 LYS A 206 15.347 -18.304 4.161 1.00 9.36 H new ATOM 0 HD2 LYS A 206 12.897 -17.766 4.811 1.00 9.64 H new ATOM 0 HD3 LYS A 206 12.887 -16.670 3.444 1.00 9.64 H new ATOM 0 HE2 LYS A 206 11.997 -18.817 2.730 1.00 9.95 H new ATOM 0 HE3 LYS A 206 13.539 -18.555 1.939 1.00 9.95 H new ATOM 0 HZ1 LYS A 206 13.074 -20.820 3.005 1.00 10.29 H new ATOM 0 HZ2 LYS A 206 14.592 -20.110 3.276 1.00 10.29 H new ATOM 0 HZ3 LYS A 206 13.401 -20.054 4.485 1.00 10.29 H new ATOM 834 N LEU A 207 14.708 -12.951 6.277 1.00 8.58 N ATOM 835 CA LEU A 207 14.783 -12.116 7.468 1.00 8.66 C ATOM 836 C LEU A 207 13.397 -11.620 7.856 1.00 8.06 C ATOM 837 O LEU A 207 13.239 -10.851 8.804 1.00 8.10 O ATOM 838 CB LEU A 207 15.719 -10.925 7.229 1.00 9.02 C ATOM 839 CG LEU A 207 17.126 -11.284 6.741 1.00 9.66 C ATOM 840 CD1 LEU A 207 17.918 -10.021 6.430 1.00 9.96 C ATOM 841 CD2 LEU A 207 17.855 -12.130 7.772 1.00 10.21 C ATOM 0 H LEU A 207 14.730 -12.436 5.397 1.00 8.58 H new ATOM 0 HA LEU A 207 15.182 -12.717 8.285 1.00 8.66 H new ATOM 0 HB2 LEU A 207 15.257 -10.262 6.497 1.00 9.02 H new ATOM 0 HB3 LEU A 207 15.807 -10.362 8.158 1.00 9.02 H new ATOM 0 HG LEU A 207 17.032 -11.869 5.826 1.00 9.66 H new ATOM 0 HD11 LEU A 207 18.915 -10.293 6.085 1.00 9.96 H new ATOM 0 HD12 LEU A 207 17.407 -9.453 5.653 1.00 9.96 H new ATOM 0 HD13 LEU A 207 17.999 -9.412 7.330 1.00 9.96 H new ATOM 0 HD21 LEU A 207 18.852 -12.373 7.404 1.00 10.21 H new ATOM 0 HD22 LEU A 207 17.938 -11.574 8.706 1.00 10.21 H new ATOM 0 HD23 LEU A 207 17.298 -13.051 7.947 1.00 10.21 H new ATOM 853 N LEU A 208 12.393 -12.064 7.110 1.00 7.59 N ATOM 854 CA LEU A 208 11.021 -11.669 7.363 1.00 7.05 C ATOM 855 C LEU A 208 10.272 -12.743 8.148 1.00 6.95 C ATOM 856 O LEU A 208 9.845 -13.756 7.590 1.00 6.96 O ATOM 857 CB LEU A 208 10.303 -11.401 6.042 1.00 6.63 C ATOM 858 CG LEU A 208 8.893 -10.826 6.177 1.00 6.34 C ATOM 859 CD1 LEU A 208 8.955 -9.376 6.632 1.00 6.60 C ATOM 860 CD2 LEU A 208 8.144 -10.942 4.862 1.00 5.96 C ATOM 0 H LEU A 208 12.509 -12.701 6.322 1.00 7.59 H new ATOM 0 HA LEU A 208 11.038 -10.758 7.961 1.00 7.05 H new ATOM 0 HB2 LEU A 208 10.906 -10.710 5.452 1.00 6.63 H new ATOM 0 HB3 LEU A 208 10.246 -12.334 5.481 1.00 6.63 H new ATOM 0 HG LEU A 208 8.354 -11.401 6.930 1.00 6.34 H new ATOM 0 HD11 LEU A 208 7.944 -8.980 6.724 1.00 6.60 H new ATOM 0 HD12 LEU A 208 9.456 -9.319 7.598 1.00 6.60 H new ATOM 0 HD13 LEU A 208 9.510 -8.789 5.900 1.00 6.60 H new ATOM 0 HD21 LEU A 208 7.142 -10.528 4.976 1.00 5.96 H new ATOM 0 HD22 LEU A 208 8.679 -10.390 4.089 1.00 5.96 H new ATOM 0 HD23 LEU A 208 8.072 -11.991 4.575 1.00 5.96 H new ATOM 872 N THR A 209 10.135 -12.522 9.443 1.00 6.97 N ATOM 873 CA THR A 209 9.422 -13.443 10.310 1.00 7.00 C ATOM 874 C THR A 209 8.034 -12.876 10.602 1.00 6.57 C ATOM 875 O THR A 209 7.789 -11.697 10.336 1.00 6.24 O ATOM 876 CB THR A 209 10.192 -13.661 11.636 1.00 7.40 C ATOM 877 OG1 THR A 209 10.341 -12.418 12.333 1.00 7.39 O ATOM 878 CG2 THR A 209 11.568 -14.262 11.377 1.00 7.89 C ATOM 0 H THR A 209 10.512 -11.704 9.921 1.00 6.97 H new ATOM 0 HA THR A 209 9.333 -14.407 9.808 1.00 7.00 H new ATOM 0 HB THR A 209 9.615 -14.356 12.247 1.00 7.40 H new ATOM 0 HG1 THR A 209 10.866 -11.797 11.786 1.00 7.39 H new ATOM 0 HG21 THR A 209 12.087 -14.405 12.325 1.00 7.89 H new ATOM 0 HG22 THR A 209 11.457 -15.224 10.876 1.00 7.89 H new ATOM 0 HG23 THR A 209 12.146 -13.588 10.745 1.00 7.89 H new ATOM 886 N PRO A 210 7.094 -13.693 11.118 1.00 6.66 N ATOM 887 CA PRO A 210 5.743 -13.227 11.462 1.00 6.45 C ATOM 888 C PRO A 210 5.777 -11.968 12.329 1.00 6.38 C ATOM 889 O PRO A 210 4.885 -11.122 12.258 1.00 6.16 O ATOM 890 CB PRO A 210 5.135 -14.404 12.244 1.00 6.85 C ATOM 891 CG PRO A 210 6.245 -15.380 12.458 1.00 7.16 C ATOM 892 CD PRO A 210 7.242 -15.132 11.367 1.00 7.08 C ATOM 0 HA PRO A 210 5.168 -12.955 10.577 1.00 6.45 H new ATOM 0 HB2 PRO A 210 4.723 -14.068 13.196 1.00 6.85 H new ATOM 0 HB3 PRO A 210 4.317 -14.861 11.687 1.00 6.85 H new ATOM 0 HG2 PRO A 210 6.700 -15.242 13.439 1.00 7.16 H new ATOM 0 HG3 PRO A 210 5.874 -16.404 12.420 1.00 7.16 H new ATOM 0 HD2 PRO A 210 8.255 -15.387 11.678 1.00 7.08 H new ATOM 0 HD3 PRO A 210 7.024 -15.722 10.477 1.00 7.08 H new ATOM 900 N GLN A 211 6.838 -11.842 13.122 1.00 6.66 N ATOM 901 CA GLN A 211 7.020 -10.698 14.003 1.00 6.77 C ATOM 902 C GLN A 211 7.181 -9.411 13.198 1.00 6.45 C ATOM 903 O GLN A 211 6.566 -8.390 13.506 1.00 6.38 O ATOM 904 CB GLN A 211 8.258 -10.898 14.879 1.00 7.30 C ATOM 905 CG GLN A 211 8.324 -12.256 15.562 1.00 7.72 C ATOM 906 CD GLN A 211 9.581 -12.436 16.394 1.00 8.30 C ATOM 907 OE1 GLN A 211 10.666 -11.804 15.979 1.00 8.70 O flip ATOM 908 NE2 GLN A 211 9.575 -13.142 17.401 1.00 8.61 N flip ATOM 0 H GLN A 211 7.591 -12.528 13.170 1.00 6.66 H new ATOM 0 HA GLN A 211 6.133 -10.615 14.632 1.00 6.77 H new ATOM 0 HB2 GLN A 211 9.149 -10.769 14.265 1.00 7.30 H new ATOM 0 HB3 GLN A 211 8.280 -10.119 15.641 1.00 7.30 H new ATOM 0 HG2 GLN A 211 7.450 -12.379 16.202 1.00 7.72 H new ATOM 0 HG3 GLN A 211 8.279 -13.040 14.806 1.00 7.72 H new ATOM 0 HE21 GLN A 211 8.717 -13.613 17.688 1.00 8.61 H new ATOM 0 HE22 GLN A 211 10.428 -13.256 17.949 1.00 8.61 H new ATOM 917 N ASP A 212 7.997 -9.481 12.152 1.00 6.37 N ATOM 918 CA ASP A 212 8.263 -8.323 11.299 1.00 6.18 C ATOM 919 C ASP A 212 7.056 -8.013 10.431 1.00 5.63 C ATOM 920 O ASP A 212 6.756 -6.852 10.162 1.00 5.44 O ATOM 921 CB ASP A 212 9.483 -8.566 10.404 1.00 6.44 C ATOM 922 CG ASP A 212 10.640 -9.197 11.145 1.00 7.03 C ATOM 923 OD1 ASP A 212 11.292 -8.506 11.956 1.00 7.34 O1- ATOM 924 OD2 ASP A 212 10.894 -10.397 10.927 1.00 7.38 O ATOM 0 H ASP A 212 8.488 -10.330 11.872 1.00 6.37 H new ATOM 0 HA ASP A 212 8.468 -7.474 11.951 1.00 6.18 H new ATOM 0 HB2 ASP A 212 9.195 -9.210 9.573 1.00 6.44 H new ATOM 0 HB3 ASP A 212 9.807 -7.618 9.975 1.00 6.44 H new ATOM 929 N MET A 213 6.358 -9.056 10.000 1.00 5.47 N ATOM 930 CA MET A 213 5.177 -8.884 9.159 1.00 5.06 C ATOM 931 C MET A 213 4.128 -8.050 9.885 1.00 4.94 C ATOM 932 O MET A 213 3.478 -7.193 9.288 1.00 4.64 O ATOM 933 CB MET A 213 4.593 -10.243 8.762 1.00 5.15 C ATOM 934 CG MET A 213 5.469 -11.022 7.796 1.00 5.33 C ATOM 935 SD MET A 213 4.681 -12.531 7.201 1.00 5.56 S ATOM 936 CE MET A 213 3.461 -11.862 6.070 1.00 5.57 C ATOM 0 H MET A 213 6.586 -10.026 10.217 1.00 5.47 H new ATOM 0 HA MET A 213 5.475 -8.360 8.251 1.00 5.06 H new ATOM 0 HB2 MET A 213 4.438 -10.839 9.661 1.00 5.15 H new ATOM 0 HB3 MET A 213 3.614 -10.090 8.309 1.00 5.15 H new ATOM 0 HG2 MET A 213 5.718 -10.387 6.945 1.00 5.33 H new ATOM 0 HG3 MET A 213 6.407 -11.277 8.288 1.00 5.33 H new ATOM 0 HE1 MET A 213 3.029 -12.671 5.480 1.00 5.57 H new ATOM 0 HE2 MET A 213 2.673 -11.366 6.637 1.00 5.57 H new ATOM 0 HE3 MET A 213 3.938 -11.142 5.405 1.00 5.57 H new ATOM 946 N GLU A 214 3.996 -8.290 11.183 1.00 5.29 N ATOM 947 CA GLU A 214 3.046 -7.564 12.011 1.00 5.44 C ATOM 948 C GLU A 214 3.420 -6.085 12.106 1.00 5.41 C ATOM 949 O GLU A 214 2.562 -5.228 12.310 1.00 5.42 O ATOM 950 CB GLU A 214 2.994 -8.182 13.408 1.00 6.00 C ATOM 951 CG GLU A 214 2.320 -9.544 13.446 1.00 6.18 C ATOM 952 CD GLU A 214 0.830 -9.455 13.213 1.00 6.23 C ATOM 953 OE1 GLU A 214 0.089 -9.164 14.174 1.00 6.40 O1- ATOM 954 OE2 GLU A 214 0.384 -9.670 12.064 1.00 6.43 O ATOM 0 H GLU A 214 4.541 -8.989 11.688 1.00 5.29 H new ATOM 0 HA GLU A 214 2.062 -7.637 11.548 1.00 5.44 H new ATOM 0 HB2 GLU A 214 4.010 -8.278 13.792 1.00 6.00 H new ATOM 0 HB3 GLU A 214 2.463 -7.504 14.077 1.00 6.00 H new ATOM 0 HG2 GLU A 214 2.766 -10.188 12.688 1.00 6.18 H new ATOM 0 HG3 GLU A 214 2.507 -10.012 14.412 1.00 6.18 H new ATOM 961 N ALA A 215 4.701 -5.792 11.942 1.00 5.51 N ATOM 962 CA ALA A 215 5.186 -4.420 12.016 1.00 5.66 C ATOM 963 C ALA A 215 5.148 -3.746 10.647 1.00 5.27 C ATOM 964 O ALA A 215 4.932 -2.540 10.546 1.00 5.33 O ATOM 965 CB ALA A 215 6.599 -4.391 12.588 1.00 6.08 C ATOM 0 H ALA A 215 5.425 -6.486 11.757 1.00 5.51 H new ATOM 0 HA ALA A 215 4.526 -3.862 12.680 1.00 5.66 H new ATOM 0 HB1 ALA A 215 6.950 -3.360 12.638 1.00 6.08 H new ATOM 0 HB2 ALA A 215 6.595 -4.822 13.589 1.00 6.08 H new ATOM 0 HB3 ALA A 215 7.263 -4.970 11.946 1.00 6.08 H new ATOM 971 N ALA A 216 5.338 -4.531 9.598 1.00 4.95 N ATOM 972 CA ALA A 216 5.340 -4.009 8.239 1.00 4.66 C ATOM 973 C ALA A 216 3.930 -3.642 7.804 1.00 4.31 C ATOM 974 O ALA A 216 3.723 -2.660 7.087 1.00 4.17 O ATOM 975 CB ALA A 216 5.947 -5.027 7.287 1.00 4.61 C ATOM 0 H ALA A 216 5.494 -5.537 9.662 1.00 4.95 H new ATOM 0 HA ALA A 216 5.948 -3.105 8.215 1.00 4.66 H new ATOM 0 HB1 ALA A 216 5.943 -4.625 6.274 1.00 4.61 H new ATOM 0 HB2 ALA A 216 6.972 -5.241 7.588 1.00 4.61 H new ATOM 0 HB3 ALA A 216 5.361 -5.946 7.315 1.00 4.61 H new ATOM 981 N LYS A 217 2.960 -4.423 8.261 1.00 4.31 N ATOM 982 CA LYS A 217 1.566 -4.182 7.923 1.00 4.20 C ATOM 983 C LYS A 217 1.082 -2.863 8.533 1.00 4.42 C ATOM 984 O LYS A 217 0.089 -2.287 8.088 1.00 4.34 O ATOM 985 CB LYS A 217 0.680 -5.351 8.373 1.00 4.47 C ATOM 986 CG LYS A 217 0.427 -5.404 9.870 1.00 4.63 C ATOM 987 CD LYS A 217 -0.395 -6.624 10.251 1.00 5.07 C ATOM 988 CE LYS A 217 -0.899 -6.524 11.682 1.00 5.46 C ATOM 989 NZ LYS A 217 -1.578 -7.770 12.126 1.00 5.88 N1+ ATOM 0 H LYS A 217 3.114 -5.229 8.867 1.00 4.31 H new ATOM 0 HA LYS A 217 1.490 -4.104 6.838 1.00 4.20 H new ATOM 0 HB2 LYS A 217 -0.278 -5.285 7.857 1.00 4.47 H new ATOM 0 HB3 LYS A 217 1.146 -6.286 8.062 1.00 4.47 H new ATOM 0 HG2 LYS A 217 1.379 -5.425 10.401 1.00 4.63 H new ATOM 0 HG3 LYS A 217 -0.094 -4.500 10.185 1.00 4.63 H new ATOM 0 HD2 LYS A 217 -1.241 -6.722 9.571 1.00 5.07 H new ATOM 0 HD3 LYS A 217 0.211 -7.523 10.138 1.00 5.07 H new ATOM 0 HE2 LYS A 217 -0.061 -6.312 12.347 1.00 5.46 H new ATOM 0 HE3 LYS A 217 -1.591 -5.686 11.764 1.00 5.46 H new ATOM 0 HZ1 LYS A 217 -1.678 -7.761 13.161 1.00 5.88 H new ATOM 0 HZ2 LYS A 217 -2.519 -7.827 11.688 1.00 5.88 H new ATOM 0 HZ3 LYS A 217 -1.012 -8.594 11.840 1.00 5.88 H new ATOM 1003 N GLU A 218 1.779 -2.410 9.570 1.00 0.00 N ATOM 1004 CA GLU A 218 1.471 -1.148 10.236 1.00 0.00 C ATOM 1005 C GLU A 218 1.691 0.021 9.306 1.00 0.00 C ATOM 1006 O GLU A 218 0.832 0.872 9.121 1.00 0.00 O ATOM 1007 CB GLU A 218 2.349 -0.999 11.511 1.00 0.00 C ATOM 1008 CG GLU A 218 2.037 -2.003 12.669 1.00 0.00 C ATOM 1009 CD GLU A 218 2.890 -1.946 13.922 1.00 0.00 C ATOM 1010 OE1 GLU A 218 3.843 -1.148 14.013 1.00 0.00 O ATOM 1011 OE2 GLU A 218 2.576 -2.723 14.847 1.00 0.00 O1- ATOM 0 H GLU A 218 2.573 -2.907 9.973 1.00 0.00 H new ATOM 0 HA GLU A 218 0.420 -1.154 10.524 1.00 0.00 H new ATOM 0 HB2 GLU A 218 3.395 -1.115 11.226 1.00 0.00 H new ATOM 0 HB3 GLU A 218 2.234 0.015 11.893 1.00 0.00 H new ATOM 0 HG2 GLU A 218 0.999 -1.854 12.967 1.00 0.00 H new ATOM 0 HG3 GLU A 218 2.111 -3.012 12.263 1.00 0.00 H new ATOM 1018 N VAL A 219 2.897 0.046 8.748 1.00 4.99 N ATOM 1019 CA VAL A 219 3.321 1.113 7.853 1.00 5.07 C ATOM 1020 C VAL A 219 2.399 1.249 6.646 1.00 4.71 C ATOM 1021 O VAL A 219 1.985 2.356 6.301 1.00 4.89 O ATOM 1022 CB VAL A 219 4.764 0.874 7.366 1.00 5.20 C ATOM 1023 CG1 VAL A 219 5.223 1.996 6.448 1.00 5.47 C ATOM 1024 CG2 VAL A 219 5.705 0.731 8.553 1.00 5.63 C ATOM 0 H VAL A 219 3.605 -0.671 8.904 1.00 4.99 H new ATOM 0 HA VAL A 219 3.274 2.040 8.425 1.00 5.07 H new ATOM 0 HB VAL A 219 4.782 -0.054 6.794 1.00 5.20 H new ATOM 0 HG11 VAL A 219 6.244 1.802 6.119 1.00 5.47 H new ATOM 0 HG12 VAL A 219 4.566 2.048 5.580 1.00 5.47 H new ATOM 0 HG13 VAL A 219 5.189 2.943 6.986 1.00 5.47 H new ATOM 0 HG21 VAL A 219 6.720 0.563 8.194 1.00 5.63 H new ATOM 0 HG22 VAL A 219 5.678 1.642 9.151 1.00 5.63 H new ATOM 0 HG23 VAL A 219 5.392 -0.114 9.166 1.00 5.63 H new ATOM 1034 N TYR A 220 2.066 0.122 6.025 1.00 4.28 N ATOM 1035 CA TYR A 220 1.209 0.128 4.843 1.00 4.00 C ATOM 1036 C TYR A 220 -0.143 0.784 5.126 1.00 4.14 C ATOM 1037 O TYR A 220 -0.666 1.513 4.287 1.00 4.18 O ATOM 1038 CB TYR A 220 0.994 -1.292 4.317 1.00 3.69 C ATOM 1039 CG TYR A 220 0.239 -1.329 3.005 1.00 3.55 C ATOM 1040 CD1 TYR A 220 0.901 -1.144 1.796 1.00 3.97 C ATOM 1041 CD2 TYR A 220 -1.137 -1.529 2.977 1.00 3.52 C ATOM 1042 CE1 TYR A 220 0.214 -1.163 0.596 1.00 4.12 C ATOM 1043 CE2 TYR A 220 -1.830 -1.544 1.784 1.00 3.66 C ATOM 1044 CZ TYR A 220 -1.151 -1.362 0.596 1.00 3.85 C ATOM 1045 OH TYR A 220 -1.842 -1.374 -0.596 1.00 4.23 O ATOM 0 H TYR A 220 2.375 -0.805 6.319 1.00 4.28 H new ATOM 0 HA TYR A 220 1.721 0.717 4.082 1.00 4.00 H new ATOM 0 HB2 TYR A 220 1.962 -1.776 4.187 1.00 3.69 H new ATOM 0 HB3 TYR A 220 0.447 -1.870 5.061 1.00 3.69 H new ATOM 0 HD1 TYR A 220 1.969 -0.983 1.794 1.00 3.97 H new ATOM 0 HD2 TYR A 220 -1.672 -1.675 3.904 1.00 3.52 H new ATOM 0 HE1 TYR A 220 0.743 -1.023 -0.335 1.00 4.12 H new ATOM 0 HE2 TYR A 220 -2.899 -1.697 1.780 1.00 3.66 H new ATOM 0 HH TYR A 220 -2.738 -1.002 -0.458 1.00 4.23 H new ATOM 1055 N LYS A 221 -0.694 0.533 6.307 1.00 4.37 N ATOM 1056 CA LYS A 221 -1.985 1.102 6.684 1.00 4.73 C ATOM 1057 C LYS A 221 -1.959 2.624 6.624 1.00 5.09 C ATOM 1058 O LYS A 221 -2.864 3.251 6.080 1.00 5.27 O ATOM 1059 CB LYS A 221 -2.375 0.658 8.094 1.00 5.11 C ATOM 1060 CG LYS A 221 -2.892 -0.765 8.168 1.00 5.12 C ATOM 1061 CD LYS A 221 -3.154 -1.186 9.605 1.00 5.57 C ATOM 1062 CE LYS A 221 -3.610 -2.633 9.682 1.00 5.79 C ATOM 1063 NZ LYS A 221 -2.668 -3.540 8.979 1.00 6.17 N1+ ATOM 0 H LYS A 221 -0.269 -0.060 7.020 1.00 4.37 H new ATOM 0 HA LYS A 221 -2.723 0.737 5.970 1.00 4.73 H new ATOM 0 HB2 LYS A 221 -1.508 0.754 8.747 1.00 5.11 H new ATOM 0 HB3 LYS A 221 -3.140 1.333 8.478 1.00 5.11 H new ATOM 0 HG2 LYS A 221 -3.812 -0.850 7.589 1.00 5.12 H new ATOM 0 HG3 LYS A 221 -2.167 -1.441 7.716 1.00 5.12 H new ATOM 0 HD2 LYS A 221 -2.247 -1.057 10.195 1.00 5.57 H new ATOM 0 HD3 LYS A 221 -3.914 -0.539 10.043 1.00 5.57 H new ATOM 0 HE2 LYS A 221 -3.695 -2.934 10.726 1.00 5.79 H new ATOM 0 HE3 LYS A 221 -4.603 -2.726 9.242 1.00 5.79 H new ATOM 0 HZ1 LYS A 221 -2.552 -4.414 9.530 1.00 6.17 H new ATOM 0 HZ2 LYS A 221 -3.046 -3.771 8.038 1.00 6.17 H new ATOM 0 HZ3 LYS A 221 -1.746 -3.071 8.876 1.00 6.17 H new ATOM 1077 N ILE A 222 -0.911 3.213 7.177 1.00 5.30 N ATOM 1078 CA ILE A 222 -0.770 4.662 7.195 1.00 5.78 C ATOM 1079 C ILE A 222 -0.342 5.188 5.825 1.00 5.68 C ATOM 1080 O ILE A 222 -0.726 6.286 5.417 1.00 6.01 O ATOM 1081 CB ILE A 222 0.255 5.095 8.269 1.00 6.15 C ATOM 1082 CG1 ILE A 222 0.031 4.306 9.563 1.00 6.30 C ATOM 1083 CG2 ILE A 222 0.147 6.591 8.538 1.00 6.74 C ATOM 1084 CD1 ILE A 222 1.263 4.202 10.437 1.00 6.53 C ATOM 0 H ILE A 222 -0.143 2.709 7.621 1.00 5.30 H new ATOM 0 HA ILE A 222 -1.742 5.089 7.441 1.00 5.78 H new ATOM 0 HB ILE A 222 1.257 4.882 7.897 1.00 6.15 H new ATOM 0 HG12 ILE A 222 -0.768 4.780 10.133 1.00 6.30 H new ATOM 0 HG13 ILE A 222 -0.310 3.302 9.311 1.00 6.30 H new ATOM 0 HG21 ILE A 222 0.876 6.878 9.296 1.00 6.74 H new ATOM 0 HG22 ILE A 222 0.345 7.141 7.618 1.00 6.74 H new ATOM 0 HG23 ILE A 222 -0.857 6.825 8.892 1.00 6.74 H new ATOM 0 HD11 ILE A 222 1.026 3.630 11.334 1.00 6.53 H new ATOM 0 HD12 ILE A 222 2.059 3.700 9.886 1.00 6.53 H new ATOM 0 HD13 ILE A 222 1.593 5.201 10.721 1.00 6.53 H new ATOM 1096 N HIS A 223 0.436 4.381 5.111 1.00 5.31 N ATOM 1097 CA HIS A 223 0.933 4.746 3.787 1.00 5.36 C ATOM 1098 C HIS A 223 -0.204 4.798 2.766 1.00 5.26 C ATOM 1099 O HIS A 223 -0.375 5.793 2.060 1.00 5.59 O ATOM 1100 CB HIS A 223 1.997 3.736 3.336 1.00 5.11 C ATOM 1101 CG HIS A 223 2.855 4.197 2.195 1.00 5.45 C ATOM 1102 ND1 HIS A 223 3.642 3.314 1.498 1.00 5.42 N ATOM 1103 CD2 HIS A 223 3.020 5.440 1.676 1.00 5.95 C ATOM 1104 CE1 HIS A 223 4.268 4.030 0.581 1.00 5.92 C ATOM 1105 NE2 HIS A 223 3.924 5.323 0.652 1.00 6.23 N ATOM 0 H HIS A 223 0.739 3.461 5.430 1.00 5.31 H new ATOM 0 HA HIS A 223 1.377 5.739 3.850 1.00 5.36 H new ATOM 0 HB2 HIS A 223 2.640 3.502 4.185 1.00 5.11 H new ATOM 0 HB3 HIS A 223 1.500 2.810 3.048 1.00 5.11 H new ATOM 0 HD2 HIS A 223 2.533 6.346 2.006 1.00 5.95 H new ATOM 0 HE1 HIS A 223 4.968 3.625 -0.135 1.00 5.92 H new ATOM 0 HE2 HIS A 223 4.269 6.077 0.057 1.00 6.23 H new ATOM 1113 N GLN A 224 -0.992 3.732 2.713 1.00 4.91 N ATOM 1114 CA GLN A 224 -2.105 3.639 1.776 1.00 4.90 C ATOM 1115 C GLN A 224 -3.162 4.709 2.041 1.00 5.38 C ATOM 1116 O GLN A 224 -3.765 5.245 1.109 1.00 5.57 O ATOM 1117 CB GLN A 224 -2.741 2.246 1.851 1.00 4.63 C ATOM 1118 CG GLN A 224 -4.016 2.113 1.033 1.00 4.79 C ATOM 1119 CD GLN A 224 -4.484 0.677 0.897 1.00 4.97 C ATOM 1120 OE1 GLN A 224 -4.172 -0.003 -0.075 1.00 5.09 O ATOM 1121 NE2 GLN A 224 -5.228 0.202 1.881 1.00 5.38 N ATOM 0 H GLN A 224 -0.880 2.914 3.312 1.00 4.91 H new ATOM 0 HA GLN A 224 -1.708 3.806 0.775 1.00 4.90 H new ATOM 0 HB2 GLN A 224 -2.019 1.507 1.505 1.00 4.63 H new ATOM 0 HB3 GLN A 224 -2.962 2.012 2.893 1.00 4.63 H new ATOM 0 HG2 GLN A 224 -4.804 2.704 1.500 1.00 4.79 H new ATOM 0 HG3 GLN A 224 -3.850 2.531 0.040 1.00 4.79 H new ATOM 0 HE21 GLN A 224 -5.467 0.798 2.673 1.00 5.38 H new ATOM 0 HE22 GLN A 224 -5.563 -0.761 1.848 1.00 5.38 H new ATOM 1130 N GLN A 225 -3.364 5.050 3.308 1.00 5.66 N ATOM 1131 CA GLN A 225 -4.377 6.041 3.659 1.00 6.22 C ATOM 1132 C GLN A 225 -3.937 7.445 3.263 1.00 6.53 C ATOM 1133 O GLN A 225 -4.770 8.314 3.003 1.00 6.88 O ATOM 1134 CB GLN A 225 -4.705 5.978 5.151 1.00 6.56 C ATOM 1135 CG GLN A 225 -5.450 4.709 5.546 1.00 6.94 C ATOM 1136 CD GLN A 225 -6.642 4.421 4.653 1.00 7.36 C ATOM 1137 OE1 GLN A 225 -7.325 5.333 4.184 1.00 7.76 O ATOM 1138 NE2 GLN A 225 -6.901 3.148 4.404 1.00 7.56 N ATOM 0 H GLN A 225 -2.850 4.663 4.099 1.00 5.66 H new ATOM 0 HA GLN A 225 -5.282 5.804 3.099 1.00 6.22 H new ATOM 0 HB2 GLN A 225 -3.780 6.042 5.723 1.00 6.56 H new ATOM 0 HB3 GLN A 225 -5.308 6.845 5.421 1.00 6.56 H new ATOM 0 HG2 GLN A 225 -4.763 3.864 5.509 1.00 6.94 H new ATOM 0 HG3 GLN A 225 -5.789 4.799 6.578 1.00 6.94 H new ATOM 0 HE21 GLN A 225 -6.314 2.419 4.810 1.00 7.56 H new ATOM 0 HE22 GLN A 225 -7.688 2.895 3.806 1.00 7.56 H new ATOM 1147 N LEU A 226 -2.629 7.656 3.182 1.00 6.49 N ATOM 1148 CA LEU A 226 -2.089 8.957 2.807 1.00 6.92 C ATOM 1149 C LEU A 226 -2.408 9.259 1.343 1.00 6.85 C ATOM 1150 O LEU A 226 -2.570 10.417 0.950 1.00 7.28 O ATOM 1151 CB LEU A 226 -0.574 8.997 3.037 1.00 7.02 C ATOM 1152 CG LEU A 226 0.040 10.398 3.082 1.00 7.62 C ATOM 1153 CD1 LEU A 226 -0.483 11.168 4.285 1.00 7.93 C ATOM 1154 CD2 LEU A 226 1.559 10.318 3.120 1.00 8.09 C ATOM 0 H LEU A 226 -1.923 6.944 3.371 1.00 6.49 H new ATOM 0 HA LEU A 226 -2.555 9.718 3.433 1.00 6.92 H new ATOM 0 HB2 LEU A 226 -0.351 8.490 3.976 1.00 7.02 H new ATOM 0 HB3 LEU A 226 -0.087 8.429 2.244 1.00 7.02 H new ATOM 0 HG LEU A 226 -0.252 10.930 2.176 1.00 7.62 H new ATOM 0 HD11 LEU A 226 -0.037 12.162 4.303 1.00 7.93 H new ATOM 0 HD12 LEU A 226 -1.567 11.258 4.216 1.00 7.93 H new ATOM 0 HD13 LEU A 226 -0.220 10.636 5.200 1.00 7.93 H new ATOM 0 HD21 LEU A 226 1.976 11.325 3.152 1.00 8.09 H new ATOM 0 HD22 LEU A 226 1.872 9.768 4.007 1.00 8.09 H new ATOM 0 HD23 LEU A 226 1.919 9.804 2.228 1.00 8.09 H new ATOM 1166 N LEU A 227 -2.499 8.204 0.544 1.00 6.38 N ATOM 1167 CA LEU A 227 -2.808 8.345 -0.871 1.00 6.38 C ATOM 1168 C LEU A 227 -4.316 8.389 -1.089 1.00 6.51 C ATOM 1169 O LEU A 227 -4.804 9.120 -1.954 1.00 6.81 O ATOM 1170 CB LEU A 227 -2.198 7.193 -1.670 1.00 5.94 C ATOM 1171 CG LEU A 227 -0.673 7.080 -1.590 1.00 5.92 C ATOM 1172 CD1 LEU A 227 -0.198 5.815 -2.281 1.00 5.56 C ATOM 1173 CD2 LEU A 227 -0.012 8.302 -2.208 1.00 6.51 C ATOM 0 H LEU A 227 -2.363 7.241 0.853 1.00 6.38 H new ATOM 0 HA LEU A 227 -2.377 9.283 -1.221 1.00 6.38 H new ATOM 0 HB2 LEU A 227 -2.635 6.258 -1.320 1.00 5.94 H new ATOM 0 HB3 LEU A 227 -2.484 7.306 -2.716 1.00 5.94 H new ATOM 0 HG LEU A 227 -0.388 7.029 -0.539 1.00 5.92 H new ATOM 0 HD11 LEU A 227 0.888 5.750 -2.215 1.00 5.56 H new ATOM 0 HD12 LEU A 227 -0.644 4.946 -1.796 1.00 5.56 H new ATOM 0 HD13 LEU A 227 -0.497 5.839 -3.329 1.00 5.56 H new ATOM 0 HD21 LEU A 227 1.071 8.202 -2.141 1.00 6.51 H new ATOM 0 HD22 LEU A 227 -0.305 8.384 -3.255 1.00 6.51 H new ATOM 0 HD23 LEU A 227 -0.328 9.197 -1.672 1.00 6.51 H new ATOM 1185 N PHE A 228 -5.050 7.610 -0.300 1.00 6.38 N ATOM 1186 CA PHE A 228 -6.503 7.560 -0.408 1.00 6.62 C ATOM 1187 C PHE A 228 -7.119 8.918 -0.084 1.00 7.17 C ATOM 1188 O PHE A 228 -7.957 9.428 -0.834 1.00 7.44 O ATOM 1189 CB PHE A 228 -7.077 6.488 0.523 1.00 6.57 C ATOM 1190 CG PHE A 228 -8.573 6.450 0.549 1.00 6.89 C ATOM 1191 CD1 PHE A 228 -9.286 5.988 -0.543 1.00 7.04 C ATOM 1192 CD2 PHE A 228 -9.264 6.873 1.669 1.00 7.26 C ATOM 1193 CE1 PHE A 228 -10.664 5.953 -0.518 1.00 7.43 C ATOM 1194 CE2 PHE A 228 -10.639 6.840 1.700 1.00 7.64 C ATOM 1195 CZ PHE A 228 -11.345 6.379 0.607 1.00 7.67 C ATOM 0 H PHE A 228 -4.661 7.004 0.422 1.00 6.38 H new ATOM 0 HA PHE A 228 -6.754 7.302 -1.437 1.00 6.62 H new ATOM 0 HB2 PHE A 228 -6.703 5.512 0.213 1.00 6.57 H new ATOM 0 HB3 PHE A 228 -6.709 6.663 1.534 1.00 6.57 H new ATOM 0 HD1 PHE A 228 -8.758 5.652 -1.423 1.00 7.04 H new ATOM 0 HD2 PHE A 228 -8.719 7.233 2.529 1.00 7.26 H new ATOM 0 HE1 PHE A 228 -11.211 5.593 -1.377 1.00 7.43 H new ATOM 0 HE2 PHE A 228 -11.167 7.175 2.581 1.00 7.64 H new ATOM 0 HZ PHE A 228 -12.424 6.351 0.631 1.00 7.67 H new ATOM 1205 N LYS A 229 -6.691 9.508 1.029 1.00 7.38 N ATOM 1206 CA LYS A 229 -7.202 10.808 1.451 1.00 7.96 C ATOM 1207 C LYS A 229 -6.909 11.874 0.400 1.00 8.17 C ATOM 1208 O LYS A 229 -7.709 12.783 0.182 1.00 8.60 O ATOM 1209 CB LYS A 229 -6.582 11.222 2.783 1.00 8.19 C ATOM 1210 CG LYS A 229 -7.099 10.447 3.982 1.00 8.20 C ATOM 1211 CD LYS A 229 -6.549 11.026 5.272 1.00 8.62 C ATOM 1212 CE LYS A 229 -7.131 10.344 6.498 1.00 8.81 C ATOM 1213 NZ LYS A 229 -6.779 11.070 7.745 1.00 9.36 N1+ ATOM 0 H LYS A 229 -5.992 9.106 1.654 1.00 7.38 H new ATOM 0 HA LYS A 229 -8.282 10.718 1.571 1.00 7.96 H new ATOM 0 HB2 LYS A 229 -5.501 11.095 2.722 1.00 8.19 H new ATOM 0 HB3 LYS A 229 -6.770 12.284 2.943 1.00 8.19 H new ATOM 0 HG2 LYS A 229 -8.188 10.478 3.999 1.00 8.20 H new ATOM 0 HG3 LYS A 229 -6.811 9.399 3.896 1.00 8.20 H new ATOM 0 HD2 LYS A 229 -5.464 10.923 5.281 1.00 8.62 H new ATOM 0 HD3 LYS A 229 -6.769 12.093 5.313 1.00 8.62 H new ATOM 0 HE2 LYS A 229 -8.215 10.287 6.403 1.00 8.81 H new ATOM 0 HE3 LYS A 229 -6.762 9.320 6.556 1.00 8.81 H new ATOM 0 HZ1 LYS A 229 -7.192 10.577 8.562 1.00 9.36 H new ATOM 0 HZ2 LYS A 229 -5.745 11.103 7.847 1.00 9.36 H new ATOM 0 HZ3 LYS A 229 -7.153 12.039 7.700 1.00 9.36 H new ATOM 1227 N ALA A 230 -5.762 11.746 -0.258 1.00 7.94 N ATOM 1228 CA ALA A 230 -5.355 12.695 -1.285 1.00 8.24 C ATOM 1229 C ALA A 230 -6.324 12.693 -2.462 1.00 8.26 C ATOM 1230 O ALA A 230 -6.509 13.715 -3.127 1.00 8.69 O ATOM 1231 CB ALA A 230 -3.941 12.390 -1.758 1.00 8.09 C ATOM 0 H ALA A 230 -5.096 10.991 -0.097 1.00 7.94 H new ATOM 0 HA ALA A 230 -5.371 13.692 -0.844 1.00 8.24 H new ATOM 0 HB1 ALA A 230 -3.651 13.108 -2.525 1.00 8.09 H new ATOM 0 HB2 ALA A 230 -3.252 12.461 -0.916 1.00 8.09 H new ATOM 0 HB3 ALA A 230 -3.905 11.382 -2.172 1.00 8.09 H new ATOM 1603 N ASN B 116 4.737 -20.070 -3.219 1.00 11.51 N ATOM 1604 CA ASN B 116 5.799 -19.424 -2.461 1.00 10.99 C ATOM 1605 C ASN B 116 5.541 -17.928 -2.329 1.00 10.00 C ATOM 1606 O ASN B 116 5.725 -17.350 -1.264 1.00 9.54 O ATOM 1607 CB ASN B 116 7.148 -19.654 -3.143 1.00 11.43 C ATOM 1608 CG ASN B 116 8.283 -19.854 -2.157 1.00 11.80 C ATOM 1609 OD1 ASN B 116 8.215 -19.426 -1.003 1.00 12.04 O ATOM 1610 ND2 ASN B 116 9.345 -20.504 -2.607 1.00 12.05 N ATOM 0 HA ASN B 116 5.818 -19.863 -1.464 1.00 10.99 H new ATOM 0 HB2 ASN B 116 7.078 -20.528 -3.790 1.00 11.43 H new ATOM 0 HB3 ASN B 116 7.376 -18.801 -3.783 1.00 11.43 H new ATOM 0 HD21 ASN B 116 10.143 -20.665 -1.992 1.00 12.05 H new ATOM 0 HD22 ASN B 116 9.365 -20.844 -3.569 1.00 12.05 H new ATOM 1617 N SER B 117 5.103 -17.307 -3.413 1.00 9.85 N ATOM 1618 CA SER B 117 4.826 -15.877 -3.418 1.00 9.09 C ATOM 1619 C SER B 117 3.359 -15.594 -3.104 1.00 8.48 C ATOM 1620 O SER B 117 2.789 -14.609 -3.575 1.00 7.94 O ATOM 1621 CB SER B 117 5.193 -15.292 -4.781 1.00 9.58 C ATOM 1622 OG SER B 117 6.366 -15.908 -5.289 1.00 10.42 O ATOM 0 H SER B 117 4.931 -17.772 -4.304 1.00 9.85 H new ATOM 0 HA SER B 117 5.429 -15.407 -2.641 1.00 9.09 H new ATOM 0 HB2 SER B 117 4.368 -15.437 -5.479 1.00 9.58 H new ATOM 0 HB3 SER B 117 5.350 -14.217 -4.691 1.00 9.58 H new ATOM 0 HG SER B 117 6.586 -15.523 -6.163 1.00 10.42 H new ATOM 1628 N LYS B 118 2.757 -16.444 -2.286 1.00 8.71 N ATOM 1629 CA LYS B 118 1.357 -16.284 -1.923 1.00 8.32 C ATOM 1630 C LYS B 118 1.191 -15.269 -0.799 1.00 7.50 C ATOM 1631 O LYS B 118 0.502 -14.262 -0.963 1.00 7.07 O ATOM 1632 CB LYS B 118 0.756 -17.628 -1.516 1.00 9.09 C ATOM 1633 CG LYS B 118 0.336 -18.493 -2.692 1.00 9.49 C ATOM 1634 CD LYS B 118 -0.860 -17.901 -3.424 1.00 10.17 C ATOM 1635 CE LYS B 118 -1.440 -18.880 -4.433 1.00 10.68 C ATOM 1636 NZ LYS B 118 -0.659 -18.909 -5.700 1.00 11.16 N1+ ATOM 0 H LYS B 118 3.215 -17.250 -1.862 1.00 8.71 H new ATOM 0 HA LYS B 118 0.825 -15.909 -2.797 1.00 8.32 H new ATOM 0 HB2 LYS B 118 1.484 -18.175 -0.917 1.00 9.09 H new ATOM 0 HB3 LYS B 118 -0.111 -17.450 -0.880 1.00 9.09 H new ATOM 0 HG2 LYS B 118 1.172 -18.598 -3.384 1.00 9.49 H new ATOM 0 HG3 LYS B 118 0.088 -19.494 -2.338 1.00 9.49 H new ATOM 0 HD2 LYS B 118 -1.628 -17.624 -2.702 1.00 10.17 H new ATOM 0 HD3 LYS B 118 -0.558 -16.987 -3.935 1.00 10.17 H new ATOM 0 HE2 LYS B 118 -1.460 -19.879 -3.997 1.00 10.68 H new ATOM 0 HE3 LYS B 118 -2.472 -18.606 -4.651 1.00 10.68 H new ATOM 0 HZ1 LYS B 118 -1.090 -19.589 -6.358 1.00 11.16 H new ATOM 0 HZ2 LYS B 118 -0.661 -17.962 -6.131 1.00 11.16 H new ATOM 0 HZ3 LYS B 118 0.320 -19.196 -5.498 1.00 11.16 H new ATOM 1650 N GLU B 119 1.852 -15.514 0.326 1.00 7.48 N ATOM 1651 CA GLU B 119 1.749 -14.629 1.480 1.00 6.99 C ATOM 1652 C GLU B 119 2.480 -13.308 1.251 1.00 6.13 C ATOM 1653 O GLU B 119 2.298 -12.351 2.005 1.00 5.77 O ATOM 1654 CB GLU B 119 2.285 -15.313 2.738 1.00 7.65 C ATOM 1655 CG GLU B 119 1.530 -16.578 3.127 1.00 8.43 C ATOM 1656 CD GLU B 119 0.029 -16.469 2.913 1.00 9.01 C ATOM 1657 OE1 GLU B 119 -0.552 -15.403 3.203 1.00 9.37 O1- ATOM 1658 OE2 GLU B 119 -0.576 -17.456 2.450 1.00 9.34 O ATOM 0 H GLU B 119 2.465 -16.318 0.464 1.00 7.48 H new ATOM 0 HA GLU B 119 0.691 -14.406 1.620 1.00 6.99 H new ATOM 0 HB2 GLU B 119 3.335 -15.562 2.584 1.00 7.65 H new ATOM 0 HB3 GLU B 119 2.243 -14.608 3.568 1.00 7.65 H new ATOM 0 HG2 GLU B 119 1.914 -17.416 2.545 1.00 8.43 H new ATOM 0 HG3 GLU B 119 1.726 -16.802 4.176 1.00 8.43 H new ATOM 1665 N TRP B 120 3.287 -13.251 0.200 1.00 6.01 N ATOM 1666 CA TRP B 120 4.031 -12.042 -0.121 1.00 5.38 C ATOM 1667 C TRP B 120 3.077 -10.895 -0.445 1.00 4.90 C ATOM 1668 O TRP B 120 3.326 -9.750 -0.081 1.00 4.43 O ATOM 1669 CB TRP B 120 4.985 -12.295 -1.289 1.00 5.80 C ATOM 1670 CG TRP B 120 6.230 -13.035 -0.892 1.00 5.98 C ATOM 1671 CD1 TRP B 120 6.349 -14.372 -0.644 1.00 6.39 C ATOM 1672 CD2 TRP B 120 7.537 -12.476 -0.700 1.00 6.18 C ATOM 1673 NE1 TRP B 120 7.646 -14.678 -0.314 1.00 6.78 N ATOM 1674 CE2 TRP B 120 8.393 -13.532 -0.337 1.00 6.64 C ATOM 1675 CE3 TRP B 120 8.066 -11.185 -0.797 1.00 6.35 C ATOM 1676 CZ2 TRP B 120 9.748 -13.338 -0.080 1.00 7.17 C ATOM 1677 CZ3 TRP B 120 9.408 -10.994 -0.535 1.00 6.93 C ATOM 1678 CH2 TRP B 120 10.236 -12.064 -0.182 1.00 7.28 C ATOM 0 H TRP B 120 3.443 -14.027 -0.443 1.00 6.01 H new ATOM 0 HA TRP B 120 4.622 -11.760 0.750 1.00 5.38 H new ATOM 0 HB2 TRP B 120 4.463 -12.864 -2.058 1.00 5.80 H new ATOM 0 HB3 TRP B 120 5.265 -11.340 -1.733 1.00 5.80 H new ATOM 0 HD1 TRP B 120 5.540 -15.086 -0.699 1.00 6.39 H new ATOM 0 HE1 TRP B 120 7.996 -15.609 -0.088 1.00 6.78 H new ATOM 0 HE3 TRP B 120 7.436 -10.352 -1.072 1.00 6.35 H new ATOM 0 HZ2 TRP B 120 10.390 -14.163 0.190 1.00 7.17 H new ATOM 0 HZ3 TRP B 120 9.826 -10.000 -0.604 1.00 6.93 H new ATOM 0 HH2 TRP B 120 11.282 -11.881 0.014 1.00 7.28 H new ATOM 1689 N THR B 121 1.967 -11.211 -1.102 1.00 5.33 N ATOM 1690 CA THR B 121 0.994 -10.192 -1.451 1.00 5.34 C ATOM 1691 C THR B 121 -0.071 -10.063 -0.362 1.00 5.03 C ATOM 1692 O THR B 121 -0.861 -9.117 -0.364 1.00 5.08 O ATOM 1693 CB THR B 121 0.327 -10.473 -2.816 1.00 6.28 C ATOM 1694 OG1 THR B 121 -0.417 -9.322 -3.247 1.00 6.81 O ATOM 1695 CG2 THR B 121 -0.594 -11.683 -2.747 1.00 6.77 C ATOM 0 H THR B 121 1.723 -12.156 -1.400 1.00 5.33 H new ATOM 0 HA THR B 121 1.534 -9.249 -1.533 1.00 5.34 H new ATOM 0 HB THR B 121 1.117 -10.688 -3.535 1.00 6.28 H new ATOM 0 HG1 THR B 121 -0.847 -8.902 -2.473 1.00 6.81 H new ATOM 0 HG21 THR B 121 -1.046 -11.852 -3.724 1.00 6.77 H new ATOM 0 HG22 THR B 121 -0.019 -12.562 -2.457 1.00 6.77 H new ATOM 0 HG23 THR B 121 -1.377 -11.503 -2.011 1.00 6.77 H new ATOM 1703 N SER B 122 -0.086 -11.013 0.570 1.00 5.01 N ATOM 1704 CA SER B 122 -1.043 -10.981 1.669 1.00 4.99 C ATOM 1705 C SER B 122 -0.685 -9.855 2.628 1.00 4.55 C ATOM 1706 O SER B 122 -1.558 -9.236 3.234 1.00 4.76 O ATOM 1707 CB SER B 122 -1.061 -12.317 2.410 1.00 5.61 C ATOM 1708 OG SER B 122 -1.137 -13.405 1.506 1.00 6.23 O ATOM 0 H SER B 122 0.551 -11.810 0.585 1.00 5.01 H new ATOM 0 HA SER B 122 -2.038 -10.804 1.261 1.00 4.99 H new ATOM 0 HB2 SER B 122 -0.162 -12.410 3.019 1.00 5.61 H new ATOM 0 HB3 SER B 122 -1.912 -12.347 3.091 1.00 5.61 H new ATOM 0 HG SER B 122 -1.084 -14.248 2.003 1.00 6.23 H new ATOM 1714 N LEU B 123 0.612 -9.590 2.746 1.00 4.24 N ATOM 1715 CA LEU B 123 1.101 -8.528 3.612 1.00 4.22 C ATOM 1716 C LEU B 123 0.761 -7.176 2.995 1.00 4.10 C ATOM 1717 O LEU B 123 0.669 -6.165 3.687 1.00 4.50 O ATOM 1718 CB LEU B 123 2.613 -8.656 3.816 1.00 4.40 C ATOM 1719 CG LEU B 123 3.216 -7.696 4.840 1.00 5.14 C ATOM 1720 CD1 LEU B 123 2.649 -7.962 6.226 1.00 5.74 C ATOM 1721 CD2 LEU B 123 4.730 -7.817 4.849 1.00 5.71 C ATOM 0 H LEU B 123 1.344 -10.099 2.250 1.00 4.24 H new ATOM 0 HA LEU B 123 0.619 -8.610 4.586 1.00 4.22 H new ATOM 0 HB2 LEU B 123 2.836 -9.677 4.124 1.00 4.40 H new ATOM 0 HB3 LEU B 123 3.107 -8.497 2.858 1.00 4.40 H new ATOM 0 HG LEU B 123 2.952 -6.678 4.555 1.00 5.14 H new ATOM 0 HD11 LEU B 123 3.092 -7.267 6.940 1.00 5.74 H new ATOM 0 HD12 LEU B 123 1.568 -7.825 6.209 1.00 5.74 H new ATOM 0 HD13 LEU B 123 2.880 -8.985 6.524 1.00 5.74 H new ATOM 0 HD21 LEU B 123 5.146 -7.127 5.583 1.00 5.71 H new ATOM 0 HD22 LEU B 123 5.012 -8.837 5.109 1.00 5.71 H new ATOM 0 HD23 LEU B 123 5.120 -7.574 3.861 1.00 5.71 H new