USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=11 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 Single : A 171 ASN : amide:sc= -0.124 K(o=-0.12,f=-1.3!) USER MOD Single : A 172 GLN : amide:sc= -0.608 K(o=-0.61,f=-4.2!) USER MOD Single : A 173 MET CE :methyl -159:sc=-0.00561 (180deg=-0.386) USER MOD Single : A 174 LYS NZ :NH3+ 153:sc= -0.161 (180deg=-0.684) USER MOD Single : A 180 LYS NZ :NH3+ -167:sc= -0.0199 (180deg=-0.278) USER MOD Single : A 181 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 184 GLN : amide:sc= 0 X(o=0,f=0.031) USER MOD Single : A 188 ASN : amide:sc=-0.00893 X(o=-0.0089,f=-0.37) USER MOD Single : A 192 ASN : amide:sc= -0.749 X(o=-0.75,f=-0.27) USER MOD Single : A 194 ASN : amide:sc= 0.264 K(o=0.26,f=-5.5!) USER MOD Single : A 195 THR OG1 : rot 180:sc= -0.556 USER MOD Single : A 197 GLN : amide:sc= 0.166 X(o=0.17,f=-0.052) USER MOD Single : A 198 GLN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 200 THR OG1 : rot -95:sc= 1.28 USER MOD Single : A 204 GLN : amide:sc= -0.259 X(o=-0.26,f=-0.59) USER MOD Single : A 205 GLN : amide:sc= -0.491 K(o=-0.49,f=-1.6) USER MOD Single : A 206 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 209 THR OG1 : rot -61:sc= 1.22 USER MOD Single : A 211 GLN : amide:sc= -0.809 X(o=-0.81,f=-0.38) USER MOD Single : A 213 MET CE :methyl -161:sc= -0.0287 (180deg=-0.551) USER MOD Single : A 217 LYS NZ :NH3+ 180:sc= -0.137 (180deg=-0.137) USER MOD Single : A 220 TYR OH : rot 148:sc= 0.252 USER MOD Single : A 221 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 223 HIS : no HD1:sc= 0.634 K(o=0.63,f=-4.4!) USER MOD Single : A 224 GLN : amide:sc= -1.07 K(o=-1.1,f=-3.6!) USER MOD Single : A 225 GLN : amide:sc= -0.0211 X(o=-0.021,f=0) USER MOD Single : A 229 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 116 ASN : amide:sc= 0.601 K(o=0.6,f=-0.054) USER MOD Single : B 117 SER OG : rot 180:sc= 0.0891 USER MOD Single : B 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 121 THR OG1 : rot 180:sc= 0.0638 USER MOD Single : B 122 SER OG : rot 61:sc= 1.13 USER MOD ----------------------------------------------------------------- ATOM 200 N LEU A 169 -4.743 4.448 -8.495 1.00 5.81 N ATOM 201 CA LEU A 169 -4.420 4.447 -7.077 1.00 5.44 C ATOM 202 C LEU A 169 -3.863 3.099 -6.634 1.00 5.18 C ATOM 203 O LEU A 169 -2.853 3.046 -5.938 1.00 5.07 O ATOM 204 CB LEU A 169 -5.633 4.848 -6.227 1.00 5.36 C ATOM 205 CG LEU A 169 -6.903 4.034 -6.454 1.00 5.65 C ATOM 206 CD1 LEU A 169 -7.263 3.247 -5.201 1.00 5.76 C ATOM 207 CD2 LEU A 169 -8.053 4.947 -6.854 1.00 5.82 C ATOM 0 HA LEU A 169 -3.642 5.195 -6.920 1.00 5.44 H new ATOM 0 HB2 LEU A 169 -5.357 4.770 -5.175 1.00 5.36 H new ATOM 0 HB3 LEU A 169 -5.857 5.897 -6.421 1.00 5.36 H new ATOM 0 HG LEU A 169 -6.721 3.329 -7.265 1.00 5.65 H new ATOM 0 HD11 LEU A 169 -8.171 2.672 -5.381 1.00 5.76 H new ATOM 0 HD12 LEU A 169 -6.448 2.568 -4.951 1.00 5.76 H new ATOM 0 HD13 LEU A 169 -7.428 3.937 -4.373 1.00 5.76 H new ATOM 0 HD21 LEU A 169 -8.952 4.352 -7.012 1.00 5.82 H new ATOM 0 HD22 LEU A 169 -8.234 5.673 -6.061 1.00 5.82 H new ATOM 0 HD23 LEU A 169 -7.798 5.471 -7.775 1.00 5.82 H new ATOM 219 N VAL A 170 -4.488 2.020 -7.091 1.00 5.20 N ATOM 220 CA VAL A 170 -4.066 0.680 -6.704 1.00 5.06 C ATOM 221 C VAL A 170 -2.688 0.323 -7.267 1.00 5.34 C ATOM 222 O VAL A 170 -1.854 -0.252 -6.567 1.00 5.28 O ATOM 223 CB VAL A 170 -5.090 -0.392 -7.150 1.00 5.24 C ATOM 224 CG1 VAL A 170 -4.660 -1.779 -6.692 1.00 5.25 C ATOM 225 CG2 VAL A 170 -6.476 -0.067 -6.619 1.00 5.42 C ATOM 0 H VAL A 170 -5.285 2.047 -7.727 1.00 5.20 H new ATOM 0 HA VAL A 170 -4.006 0.687 -5.616 1.00 5.06 H new ATOM 0 HB VAL A 170 -5.127 -0.387 -8.239 1.00 5.24 H new ATOM 0 HG11 VAL A 170 -5.396 -2.514 -7.018 1.00 5.25 H new ATOM 0 HG12 VAL A 170 -3.689 -2.021 -7.125 1.00 5.25 H new ATOM 0 HG13 VAL A 170 -4.586 -1.797 -5.605 1.00 5.25 H new ATOM 0 HG21 VAL A 170 -7.179 -0.833 -6.945 1.00 5.42 H new ATOM 0 HG22 VAL A 170 -6.451 -0.037 -5.530 1.00 5.42 H new ATOM 0 HG23 VAL A 170 -6.794 0.903 -7.001 1.00 5.42 H new ATOM 235 N ASN A 171 -2.437 0.686 -8.520 1.00 5.77 N ATOM 236 CA ASN A 171 -1.161 0.372 -9.161 1.00 6.24 C ATOM 237 C ASN A 171 -0.020 1.190 -8.566 1.00 6.25 C ATOM 238 O ASN A 171 1.142 0.781 -8.607 1.00 6.59 O ATOM 239 CB ASN A 171 -1.244 0.621 -10.667 1.00 6.76 C ATOM 240 CG ASN A 171 -0.333 -0.297 -11.457 1.00 7.31 C ATOM 241 OD1 ASN A 171 -0.084 -1.439 -11.067 1.00 7.47 O ATOM 242 ND2 ASN A 171 0.161 0.189 -12.586 1.00 7.80 N ATOM 0 H ASN A 171 -3.094 1.195 -9.111 1.00 5.77 H new ATOM 0 HA ASN A 171 -0.955 -0.683 -8.980 1.00 6.24 H new ATOM 0 HB2 ASN A 171 -2.273 0.481 -10.999 1.00 6.76 H new ATOM 0 HB3 ASN A 171 -0.980 1.658 -10.876 1.00 6.76 H new ATOM 0 HD21 ASN A 171 0.771 -0.388 -13.166 1.00 7.80 H new ATOM 0 HD22 ASN A 171 -0.068 1.140 -12.875 1.00 7.80 H new ATOM 249 N GLN A 172 -0.357 2.334 -7.989 1.00 6.00 N ATOM 250 CA GLN A 172 0.640 3.206 -7.393 1.00 6.13 C ATOM 251 C GLN A 172 1.048 2.679 -6.025 1.00 5.80 C ATOM 252 O GLN A 172 2.169 2.900 -5.576 1.00 6.06 O ATOM 253 CB GLN A 172 0.106 4.633 -7.274 1.00 6.13 C ATOM 254 CG GLN A 172 0.285 5.474 -8.533 1.00 6.58 C ATOM 255 CD GLN A 172 1.721 5.906 -8.779 1.00 6.95 C ATOM 256 OE1 GLN A 172 2.668 5.172 -8.498 1.00 7.27 O ATOM 257 NE2 GLN A 172 1.892 7.112 -9.303 1.00 7.22 N ATOM 0 H GLN A 172 -1.315 2.679 -7.922 1.00 6.00 H new ATOM 0 HA GLN A 172 1.517 3.221 -8.040 1.00 6.13 H new ATOM 0 HB2 GLN A 172 -0.954 4.593 -7.025 1.00 6.13 H new ATOM 0 HB3 GLN A 172 0.609 5.129 -6.444 1.00 6.13 H new ATOM 0 HG2 GLN A 172 -0.066 4.904 -9.393 1.00 6.58 H new ATOM 0 HG3 GLN A 172 -0.345 6.361 -8.460 1.00 6.58 H new ATOM 0 HE21 GLN A 172 1.082 7.692 -9.523 1.00 7.22 H new ATOM 0 HE22 GLN A 172 2.833 7.460 -9.486 1.00 7.22 H new ATOM 266 N MET A 173 0.131 1.966 -5.375 1.00 5.33 N ATOM 267 CA MET A 173 0.392 1.384 -4.062 1.00 5.03 C ATOM 268 C MET A 173 1.163 0.079 -4.199 1.00 5.21 C ATOM 269 O MET A 173 1.506 -0.556 -3.202 1.00 5.01 O ATOM 270 CB MET A 173 -0.915 1.108 -3.315 1.00 4.54 C ATOM 271 CG MET A 173 -1.413 2.275 -2.477 1.00 4.49 C ATOM 272 SD MET A 173 -0.120 3.039 -1.473 1.00 4.57 S ATOM 273 CE MET A 173 0.322 1.702 -0.368 1.00 4.49 C ATOM 0 H MET A 173 -0.803 1.777 -5.739 1.00 5.33 H new ATOM 0 HA MET A 173 0.985 2.104 -3.497 1.00 5.03 H new ATOM 0 HB2 MET A 173 -1.685 0.841 -4.039 1.00 4.54 H new ATOM 0 HB3 MET A 173 -0.774 0.244 -2.666 1.00 4.54 H new ATOM 0 HG2 MET A 173 -1.844 3.029 -3.136 1.00 4.49 H new ATOM 0 HG3 MET A 173 -2.213 1.928 -1.823 1.00 4.49 H new ATOM 0 HE1 MET A 173 0.809 2.108 0.518 1.00 4.49 H new ATOM 0 HE2 MET A 173 -0.577 1.162 -0.072 1.00 4.49 H new ATOM 0 HE3 MET A 173 1.004 1.020 -0.876 1.00 4.49 H new ATOM 283 N LYS A 174 1.409 -0.331 -5.434 1.00 5.68 N ATOM 284 CA LYS A 174 2.140 -1.558 -5.690 1.00 6.02 C ATOM 285 C LYS A 174 3.632 -1.274 -5.715 1.00 6.49 C ATOM 286 O LYS A 174 4.415 -1.902 -4.999 1.00 6.55 O ATOM 287 CB LYS A 174 1.698 -2.166 -7.016 1.00 6.45 C ATOM 288 CG LYS A 174 1.990 -3.645 -7.114 1.00 6.44 C ATOM 289 CD LYS A 174 1.395 -4.246 -8.373 1.00 6.92 C ATOM 290 CE LYS A 174 1.202 -5.743 -8.228 1.00 7.15 C ATOM 291 NZ LYS A 174 0.211 -6.074 -7.170 1.00 7.76 N1+ ATOM 0 H LYS A 174 1.113 0.169 -6.272 1.00 5.68 H new ATOM 0 HA LYS A 174 1.928 -2.270 -4.892 1.00 6.02 H new ATOM 0 HB2 LYS A 174 0.628 -2.003 -7.145 1.00 6.45 H new ATOM 0 HB3 LYS A 174 2.200 -1.647 -7.833 1.00 6.45 H new ATOM 0 HG2 LYS A 174 3.068 -3.805 -7.107 1.00 6.44 H new ATOM 0 HG3 LYS A 174 1.586 -4.156 -6.240 1.00 6.44 H new ATOM 0 HD2 LYS A 174 0.437 -3.772 -8.588 1.00 6.92 H new ATOM 0 HD3 LYS A 174 2.049 -4.041 -9.221 1.00 6.92 H new ATOM 0 HE2 LYS A 174 0.871 -6.160 -9.179 1.00 7.15 H new ATOM 0 HE3 LYS A 174 2.157 -6.211 -7.990 1.00 7.15 H new ATOM 0 HZ1 LYS A 174 -0.233 -6.990 -7.385 1.00 7.76 H new ATOM 0 HZ2 LYS A 174 0.692 -6.130 -6.249 1.00 7.76 H new ATOM 0 HZ3 LYS A 174 -0.520 -5.335 -7.135 1.00 7.76 H new ATOM 305 N VAL A 175 4.017 -0.322 -6.552 1.00 6.90 N ATOM 306 CA VAL A 175 5.404 0.084 -6.661 1.00 7.46 C ATOM 307 C VAL A 175 5.557 1.487 -6.088 1.00 7.44 C ATOM 308 O VAL A 175 5.594 2.483 -6.814 1.00 7.78 O ATOM 309 CB VAL A 175 5.891 0.068 -8.123 1.00 8.18 C ATOM 310 CG1 VAL A 175 6.234 -1.345 -8.552 1.00 8.62 C ATOM 311 CG2 VAL A 175 4.839 0.672 -9.047 1.00 8.33 C ATOM 0 H VAL A 175 3.381 0.185 -7.168 1.00 6.90 H new ATOM 0 HA VAL A 175 6.013 -0.626 -6.101 1.00 7.46 H new ATOM 0 HB VAL A 175 6.793 0.676 -8.192 1.00 8.18 H new ATOM 0 HG11 VAL A 175 6.576 -1.338 -9.587 1.00 8.62 H new ATOM 0 HG12 VAL A 175 7.023 -1.738 -7.911 1.00 8.62 H new ATOM 0 HG13 VAL A 175 5.349 -1.976 -8.467 1.00 8.62 H new ATOM 0 HG21 VAL A 175 5.202 0.651 -10.074 1.00 8.33 H new ATOM 0 HG22 VAL A 175 3.918 0.094 -8.976 1.00 8.33 H new ATOM 0 HG23 VAL A 175 4.644 1.703 -8.752 1.00 8.33 H new ATOM 321 N ALA A 176 5.651 1.559 -4.778 1.00 7.10 N ATOM 322 CA ALA A 176 5.797 2.838 -4.112 1.00 7.14 C ATOM 323 C ALA A 176 6.884 2.762 -3.054 1.00 7.24 C ATOM 324 O ALA A 176 7.126 1.697 -2.484 1.00 6.92 O ATOM 325 CB ALA A 176 4.473 3.271 -3.494 1.00 6.59 C ATOM 0 H ALA A 176 5.629 0.752 -4.154 1.00 7.10 H new ATOM 0 HA ALA A 176 6.089 3.584 -4.851 1.00 7.14 H new ATOM 0 HB1 ALA A 176 4.600 4.233 -2.998 1.00 6.59 H new ATOM 0 HB2 ALA A 176 3.719 3.363 -4.276 1.00 6.59 H new ATOM 0 HB3 ALA A 176 4.151 2.527 -2.765 1.00 6.59 H new ATOM 331 N PRO A 177 7.591 3.869 -2.823 1.00 7.75 N ATOM 332 CA PRO A 177 8.642 3.951 -1.826 1.00 7.96 C ATOM 333 C PRO A 177 8.074 4.268 -0.450 1.00 7.58 C ATOM 334 O PRO A 177 7.183 5.111 -0.321 1.00 7.42 O ATOM 335 CB PRO A 177 9.509 5.117 -2.318 1.00 8.76 C ATOM 336 CG PRO A 177 8.759 5.783 -3.432 1.00 8.86 C ATOM 337 CD PRO A 177 7.399 5.152 -3.503 1.00 8.23 C ATOM 0 HA PRO A 177 9.189 3.014 -1.719 1.00 7.96 H new ATOM 0 HB2 PRO A 177 9.703 5.821 -1.509 1.00 8.76 H new ATOM 0 HB3 PRO A 177 10.477 4.757 -2.666 1.00 8.76 H new ATOM 0 HG2 PRO A 177 8.675 6.854 -3.250 1.00 8.86 H new ATOM 0 HG3 PRO A 177 9.288 5.660 -4.377 1.00 8.86 H new ATOM 0 HD2 PRO A 177 6.645 5.763 -3.006 1.00 8.23 H new ATOM 0 HD3 PRO A 177 7.071 5.017 -4.534 1.00 8.23 H new ATOM 345 N ILE A 178 8.576 3.598 0.572 1.00 7.53 N ATOM 346 CA ILE A 178 8.122 3.843 1.928 1.00 7.29 C ATOM 347 C ILE A 178 8.625 5.202 2.411 1.00 7.90 C ATOM 348 O ILE A 178 9.833 5.452 2.414 1.00 8.45 O ATOM 349 CB ILE A 178 8.608 2.749 2.897 1.00 7.03 C ATOM 350 CG1 ILE A 178 8.140 1.372 2.428 1.00 6.56 C ATOM 351 CG2 ILE A 178 8.104 3.025 4.306 1.00 6.79 C ATOM 352 CD1 ILE A 178 8.587 0.246 3.332 1.00 6.69 C ATOM 0 H ILE A 178 9.297 2.881 0.488 1.00 7.53 H new ATOM 0 HA ILE A 178 7.032 3.831 1.916 1.00 7.29 H new ATOM 0 HB ILE A 178 9.698 2.760 2.909 1.00 7.03 H new ATOM 0 HG12 ILE A 178 7.052 1.368 2.366 1.00 6.56 H new ATOM 0 HG13 ILE A 178 8.517 1.192 1.421 1.00 6.56 H new ATOM 0 HG21 ILE A 178 8.456 2.243 4.978 1.00 6.79 H new ATOM 0 HG22 ILE A 178 8.480 3.991 4.644 1.00 6.79 H new ATOM 0 HG23 ILE A 178 7.014 3.040 4.306 1.00 6.79 H new ATOM 0 HD11 ILE A 178 8.220 -0.703 2.940 1.00 6.69 H new ATOM 0 HD12 ILE A 178 9.676 0.224 3.375 1.00 6.69 H new ATOM 0 HD13 ILE A 178 8.188 0.403 4.334 1.00 6.69 H new ATOM 364 N PRO A 179 7.706 6.111 2.779 1.00 7.89 N ATOM 365 CA PRO A 179 8.057 7.447 3.270 1.00 8.51 C ATOM 366 C PRO A 179 9.016 7.406 4.448 1.00 8.75 C ATOM 367 O PRO A 179 9.018 6.457 5.231 1.00 8.38 O ATOM 368 CB PRO A 179 6.711 8.024 3.708 1.00 8.36 C ATOM 369 CG PRO A 179 5.720 7.319 2.867 1.00 7.74 C ATOM 370 CD PRO A 179 6.244 5.921 2.722 1.00 7.36 C ATOM 0 HA PRO A 179 8.569 8.035 2.508 1.00 8.51 H new ATOM 0 HB2 PRO A 179 6.529 7.849 4.768 1.00 8.36 H new ATOM 0 HB3 PRO A 179 6.670 9.102 3.552 1.00 8.36 H new ATOM 0 HG2 PRO A 179 4.735 7.323 3.334 1.00 7.74 H new ATOM 0 HG3 PRO A 179 5.615 7.802 1.896 1.00 7.74 H new ATOM 0 HD2 PRO A 179 5.889 5.271 3.522 1.00 7.36 H new ATOM 0 HD3 PRO A 179 5.932 5.468 1.781 1.00 7.36 H new ATOM 378 N LYS A 180 9.801 8.461 4.583 1.00 9.42 N ATOM 379 CA LYS A 180 10.780 8.571 5.658 1.00 9.77 C ATOM 380 C LYS A 180 10.081 8.563 7.014 1.00 9.52 C ATOM 381 O LYS A 180 10.613 8.050 7.997 1.00 9.52 O ATOM 382 CB LYS A 180 11.602 9.851 5.497 1.00 10.55 C ATOM 383 CG LYS A 180 12.293 9.954 4.149 1.00 10.96 C ATOM 384 CD LYS A 180 13.187 11.179 4.066 1.00 11.55 C ATOM 385 CE LYS A 180 13.861 11.283 2.708 1.00 12.03 C ATOM 386 NZ LYS A 180 14.664 10.071 2.388 1.00 12.47 N1+ ATOM 0 H LYS A 180 9.780 9.264 3.955 1.00 9.42 H new ATOM 0 HA LYS A 180 11.451 7.714 5.605 1.00 9.77 H new ATOM 0 HB2 LYS A 180 10.949 10.713 5.630 1.00 10.55 H new ATOM 0 HB3 LYS A 180 12.352 9.895 6.287 1.00 10.55 H new ATOM 0 HG2 LYS A 180 12.888 9.057 3.976 1.00 10.96 H new ATOM 0 HG3 LYS A 180 11.544 9.997 3.359 1.00 10.96 H new ATOM 0 HD2 LYS A 180 12.596 12.076 4.250 1.00 11.55 H new ATOM 0 HD3 LYS A 180 13.945 11.131 4.848 1.00 11.55 H new ATOM 0 HE2 LYS A 180 13.104 11.429 1.938 1.00 12.03 H new ATOM 0 HE3 LYS A 180 14.507 12.161 2.691 1.00 12.03 H new ATOM 0 HZ1 LYS A 180 15.276 10.266 1.570 1.00 12.47 H new ATOM 0 HZ2 LYS A 180 15.252 9.817 3.208 1.00 12.47 H new ATOM 0 HZ3 LYS A 180 14.026 9.281 2.162 1.00 12.47 H new ATOM 400 N GLN A 181 8.876 9.112 7.044 1.00 9.38 N ATOM 401 CA GLN A 181 8.084 9.164 8.263 1.00 9.25 C ATOM 402 C GLN A 181 7.666 7.761 8.690 1.00 8.64 C ATOM 403 O GLN A 181 7.473 7.489 9.876 1.00 8.66 O ATOM 404 CB GLN A 181 6.836 10.017 8.037 1.00 9.25 C ATOM 405 CG GLN A 181 7.115 11.501 7.879 1.00 9.84 C ATOM 406 CD GLN A 181 5.980 12.224 7.179 1.00 9.79 C ATOM 407 OE1 GLN A 181 5.008 12.638 7.808 1.00 9.75 O ATOM 408 NE2 GLN A 181 6.094 12.377 5.871 1.00 9.99 N ATOM 0 H GLN A 181 8.423 9.531 6.232 1.00 9.38 H new ATOM 0 HA GLN A 181 8.693 9.608 9.050 1.00 9.25 H new ATOM 0 HB2 GLN A 181 6.322 9.659 7.145 1.00 9.25 H new ATOM 0 HB3 GLN A 181 6.155 9.874 8.876 1.00 9.25 H new ATOM 0 HG2 GLN A 181 7.276 11.946 8.861 1.00 9.84 H new ATOM 0 HG3 GLN A 181 8.036 11.638 7.312 1.00 9.84 H new ATOM 0 HE21 GLN A 181 6.917 12.019 5.385 1.00 9.99 H new ATOM 0 HE22 GLN A 181 5.359 12.853 5.347 1.00 9.99 H new ATOM 417 N LEU A 182 7.508 6.880 7.710 1.00 8.14 N ATOM 418 CA LEU A 182 7.102 5.507 7.968 1.00 7.55 C ATOM 419 C LEU A 182 8.306 4.568 8.098 1.00 7.61 C ATOM 420 O LEU A 182 8.195 3.491 8.678 1.00 7.33 O ATOM 421 CB LEU A 182 6.161 5.024 6.863 1.00 6.99 C ATOM 422 CG LEU A 182 4.740 5.597 6.926 1.00 6.82 C ATOM 423 CD1 LEU A 182 3.920 5.142 5.727 1.00 6.67 C ATOM 424 CD2 LEU A 182 4.059 5.184 8.221 1.00 6.66 C ATOM 0 H LEU A 182 7.656 7.095 6.724 1.00 8.14 H new ATOM 0 HA LEU A 182 6.576 5.489 8.922 1.00 7.55 H new ATOM 0 HB2 LEU A 182 6.597 5.280 5.897 1.00 6.99 H new ATOM 0 HB3 LEU A 182 6.100 3.937 6.908 1.00 6.99 H new ATOM 0 HG LEU A 182 4.809 6.684 6.899 1.00 6.82 H new ATOM 0 HD11 LEU A 182 2.916 5.561 5.793 1.00 6.67 H new ATOM 0 HD12 LEU A 182 4.397 5.485 4.809 1.00 6.67 H new ATOM 0 HD13 LEU A 182 3.860 4.054 5.719 1.00 6.67 H new ATOM 0 HD21 LEU A 182 3.051 5.599 8.250 1.00 6.66 H new ATOM 0 HD22 LEU A 182 4.006 4.097 8.273 1.00 6.66 H new ATOM 0 HD23 LEU A 182 4.631 5.560 9.069 1.00 6.66 H new ATOM 436 N LEU A 183 9.447 4.980 7.561 1.00 8.04 N ATOM 437 CA LEU A 183 10.672 4.176 7.629 1.00 8.24 C ATOM 438 C LEU A 183 11.105 3.963 9.076 1.00 8.55 C ATOM 439 O LEU A 183 11.721 2.950 9.416 1.00 8.54 O ATOM 440 CB LEU A 183 11.805 4.865 6.860 1.00 8.80 C ATOM 441 CG LEU A 183 11.743 4.736 5.336 1.00 8.62 C ATOM 442 CD1 LEU A 183 12.926 5.444 4.692 1.00 9.31 C ATOM 443 CD2 LEU A 183 11.722 3.271 4.929 1.00 8.25 C ATOM 0 H LEU A 183 9.555 5.868 7.071 1.00 8.04 H new ATOM 0 HA LEU A 183 10.460 3.207 7.177 1.00 8.24 H new ATOM 0 HB2 LEU A 183 11.803 5.924 7.118 1.00 8.80 H new ATOM 0 HB3 LEU A 183 12.755 4.455 7.203 1.00 8.80 H new ATOM 0 HG LEU A 183 10.825 5.209 4.988 1.00 8.62 H new ATOM 0 HD11 LEU A 183 12.865 5.342 3.608 1.00 9.31 H new ATOM 0 HD12 LEU A 183 12.907 6.501 4.958 1.00 9.31 H new ATOM 0 HD13 LEU A 183 13.855 4.997 5.047 1.00 9.31 H new ATOM 0 HD21 LEU A 183 11.678 3.196 3.842 1.00 8.25 H new ATOM 0 HD22 LEU A 183 12.626 2.780 5.290 1.00 8.25 H new ATOM 0 HD23 LEU A 183 10.847 2.786 5.362 1.00 8.25 H new ATOM 455 N GLN A 184 10.752 4.918 9.924 1.00 8.87 N ATOM 456 CA GLN A 184 11.098 4.878 11.339 1.00 9.25 C ATOM 457 C GLN A 184 10.230 3.887 12.113 1.00 8.85 C ATOM 458 O GLN A 184 10.415 3.694 13.312 1.00 9.14 O ATOM 459 CB GLN A 184 10.974 6.277 11.933 1.00 9.76 C ATOM 460 CG GLN A 184 11.949 7.263 11.315 1.00 10.33 C ATOM 461 CD GLN A 184 11.643 8.699 11.671 1.00 10.90 C ATOM 462 OE1 GLN A 184 10.931 9.396 10.947 1.00 11.17 O ATOM 463 NE2 GLN A 184 12.181 9.152 12.786 1.00 11.29 N ATOM 0 H GLN A 184 10.218 5.743 9.651 1.00 8.87 H new ATOM 0 HA GLN A 184 12.129 4.534 11.426 1.00 9.25 H new ATOM 0 HB2 GLN A 184 9.956 6.640 11.789 1.00 9.76 H new ATOM 0 HB3 GLN A 184 11.146 6.228 13.008 1.00 9.76 H new ATOM 0 HG2 GLN A 184 12.960 7.021 11.644 1.00 10.33 H new ATOM 0 HG3 GLN A 184 11.931 7.152 10.231 1.00 10.33 H new ATOM 0 HE21 GLN A 184 12.765 8.540 13.356 1.00 11.29 H new ATOM 0 HE22 GLN A 184 12.013 10.115 13.079 1.00 11.29 H new ATOM 472 N ARG A 185 9.276 3.268 11.431 1.00 8.24 N ATOM 473 CA ARG A 185 8.399 2.297 12.073 1.00 7.89 C ATOM 474 C ARG A 185 9.093 0.946 12.189 1.00 7.66 C ATOM 475 O ARG A 185 8.734 0.127 13.030 1.00 7.54 O ATOM 476 CB ARG A 185 7.088 2.137 11.297 1.00 7.40 C ATOM 477 CG ARG A 185 6.247 3.402 11.242 1.00 7.66 C ATOM 478 CD ARG A 185 5.546 3.675 12.564 1.00 7.53 C ATOM 479 NE ARG A 185 6.460 4.217 13.569 1.00 7.91 N ATOM 480 CZ ARG A 185 6.652 5.520 13.784 1.00 8.28 C ATOM 481 NH1 ARG A 185 5.975 6.425 13.086 1.00 8.35 N1+ ATOM 482 NH2 ARG A 185 7.519 5.915 14.703 1.00 8.81 N ATOM 0 H ARG A 185 9.090 3.419 10.440 1.00 8.24 H new ATOM 0 HA ARG A 185 8.168 2.670 13.071 1.00 7.89 H new ATOM 0 HB2 ARG A 185 7.316 1.819 10.280 1.00 7.40 H new ATOM 0 HB3 ARG A 185 6.501 1.341 11.755 1.00 7.40 H new ATOM 0 HG2 ARG A 185 6.883 4.250 10.986 1.00 7.66 H new ATOM 0 HG3 ARG A 185 5.504 3.310 10.449 1.00 7.66 H new ATOM 0 HD2 ARG A 185 4.728 4.377 12.402 1.00 7.53 H new ATOM 0 HD3 ARG A 185 5.104 2.751 12.937 1.00 7.53 H new ATOM 0 HE ARG A 185 6.985 3.556 14.143 1.00 7.91 H new ATOM 0 HH11 ARG A 185 5.303 6.126 12.380 1.00 8.35 H new ATOM 0 HH12 ARG A 185 6.128 7.419 13.256 1.00 8.35 H new ATOM 0 HH21 ARG A 185 8.038 5.224 15.245 1.00 8.81 H new ATOM 0 HH22 ARG A 185 7.668 6.910 14.869 1.00 8.81 H new ATOM 496 N ILE A 186 10.083 0.721 11.336 1.00 7.69 N ATOM 497 CA ILE A 186 10.831 -0.530 11.347 1.00 7.57 C ATOM 498 C ILE A 186 12.293 -0.265 11.700 1.00 8.20 C ATOM 499 O ILE A 186 13.120 -0.029 10.817 1.00 8.43 O ATOM 500 CB ILE A 186 10.763 -1.249 9.982 1.00 7.11 C ATOM 501 CG1 ILE A 186 9.329 -1.240 9.441 1.00 6.84 C ATOM 502 CG2 ILE A 186 11.276 -2.681 10.106 1.00 6.83 C ATOM 503 CD1 ILE A 186 9.214 -1.726 8.010 1.00 6.52 C ATOM 0 H ILE A 186 10.387 1.388 10.627 1.00 7.69 H new ATOM 0 HA ILE A 186 10.375 -1.175 12.099 1.00 7.57 H new ATOM 0 HB ILE A 186 11.401 -0.713 9.279 1.00 7.11 H new ATOM 0 HG12 ILE A 186 8.706 -1.866 10.079 1.00 6.84 H new ATOM 0 HG13 ILE A 186 8.933 -0.227 9.504 1.00 6.84 H new ATOM 0 HG21 ILE A 186 11.221 -3.173 9.135 1.00 6.83 H new ATOM 0 HG22 ILE A 186 12.311 -2.668 10.448 1.00 6.83 H new ATOM 0 HG23 ILE A 186 10.663 -3.226 10.824 1.00 6.83 H new ATOM 0 HD11 ILE A 186 8.171 -1.691 7.697 1.00 6.52 H new ATOM 0 HD12 ILE A 186 9.810 -1.086 7.359 1.00 6.52 H new ATOM 0 HD13 ILE A 186 9.579 -2.751 7.943 1.00 6.52 H new ATOM 515 N PRO A 187 12.622 -0.257 13.002 1.00 8.55 N ATOM 516 CA PRO A 187 13.982 -0.020 13.480 1.00 9.18 C ATOM 517 C PRO A 187 14.835 -1.292 13.474 1.00 9.19 C ATOM 518 O PRO A 187 14.356 -2.373 13.118 1.00 8.73 O ATOM 519 CB PRO A 187 13.768 0.486 14.919 1.00 9.56 C ATOM 520 CG PRO A 187 12.290 0.441 15.167 1.00 9.11 C ATOM 521 CD PRO A 187 11.706 -0.457 14.120 1.00 8.45 C ATOM 0 HA PRO A 187 14.523 0.681 12.844 1.00 9.18 H new ATOM 0 HB2 PRO A 187 14.301 -0.140 15.634 1.00 9.56 H new ATOM 0 HB3 PRO A 187 14.151 1.500 15.035 1.00 9.56 H new ATOM 0 HG2 PRO A 187 12.076 0.061 16.166 1.00 9.11 H new ATOM 0 HG3 PRO A 187 11.857 1.439 15.106 1.00 9.11 H new ATOM 0 HD2 PRO A 187 11.679 -1.497 14.444 1.00 8.45 H new ATOM 0 HD3 PRO A 187 10.684 -0.176 13.865 1.00 8.45 H new ATOM 529 N ASN A 188 16.108 -1.130 13.855 1.00 9.77 N ATOM 530 CA ASN A 188 17.102 -2.218 13.920 1.00 9.94 C ATOM 531 C ASN A 188 17.521 -2.703 12.524 1.00 9.83 C ATOM 532 O ASN A 188 18.603 -3.273 12.348 1.00 9.99 O ATOM 533 CB ASN A 188 16.572 -3.402 14.746 1.00 9.66 C ATOM 534 CG ASN A 188 17.598 -4.511 14.906 1.00 9.91 C ATOM 535 OD1 ASN A 188 18.795 -4.254 15.057 1.00 10.35 O ATOM 536 ND2 ASN A 188 17.137 -5.748 14.861 1.00 9.83 N ATOM 0 H ASN A 188 16.487 -0.224 14.132 1.00 9.77 H new ATOM 0 HA ASN A 188 17.984 -1.807 14.412 1.00 9.94 H new ATOM 0 HB2 ASN A 188 16.271 -3.046 15.731 1.00 9.66 H new ATOM 0 HB3 ASN A 188 15.680 -3.804 14.266 1.00 9.66 H new ATOM 0 HD21 ASN A 188 17.779 -6.535 14.953 1.00 9.83 H new ATOM 0 HD22 ASN A 188 16.139 -5.916 14.735 1.00 9.83 H new ATOM 543 N ILE A 189 16.694 -2.441 11.524 1.00 9.66 N ATOM 544 CA ILE A 189 16.999 -2.855 10.164 1.00 9.64 C ATOM 545 C ILE A 189 16.724 -1.716 9.193 1.00 9.96 C ATOM 546 O ILE A 189 15.597 -1.226 9.101 1.00 9.97 O ATOM 547 CB ILE A 189 16.175 -4.098 9.734 1.00 9.24 C ATOM 548 CG1 ILE A 189 16.170 -5.149 10.848 1.00 9.23 C ATOM 549 CG2 ILE A 189 16.746 -4.692 8.447 1.00 9.06 C ATOM 550 CD1 ILE A 189 15.223 -6.305 10.605 1.00 9.09 C ATOM 0 H ILE A 189 15.809 -1.945 11.628 1.00 9.66 H new ATOM 0 HA ILE A 189 18.056 -3.121 10.141 1.00 9.64 H new ATOM 0 HB ILE A 189 15.147 -3.785 9.549 1.00 9.24 H new ATOM 0 HG12 ILE A 189 17.180 -5.540 10.968 1.00 9.23 H new ATOM 0 HG13 ILE A 189 15.902 -4.665 11.787 1.00 9.23 H new ATOM 0 HG21 ILE A 189 16.159 -5.563 8.157 1.00 9.06 H new ATOM 0 HG22 ILE A 189 16.706 -3.946 7.653 1.00 9.06 H new ATOM 0 HG23 ILE A 189 17.781 -4.991 8.612 1.00 9.06 H new ATOM 0 HD11 ILE A 189 15.280 -7.004 11.440 1.00 9.09 H new ATOM 0 HD12 ILE A 189 14.204 -5.928 10.516 1.00 9.09 H new ATOM 0 HD13 ILE A 189 15.502 -6.817 9.684 1.00 9.09 H new ATOM 562 N PRO A 190 17.754 -1.262 8.468 1.00 10.38 N ATOM 563 CA PRO A 190 17.624 -0.200 7.496 1.00 10.85 C ATOM 564 C PRO A 190 17.456 -0.747 6.081 1.00 10.73 C ATOM 565 O PRO A 190 18.372 -1.370 5.534 1.00 11.03 O ATOM 566 CB PRO A 190 18.961 0.518 7.626 1.00 11.43 C ATOM 567 CG PRO A 190 19.941 -0.526 8.071 1.00 11.22 C ATOM 568 CD PRO A 190 19.147 -1.719 8.558 1.00 10.57 C ATOM 0 HA PRO A 190 16.753 0.432 7.668 1.00 10.85 H new ATOM 0 HB2 PRO A 190 19.263 0.958 6.676 1.00 11.43 H new ATOM 0 HB3 PRO A 190 18.900 1.331 8.349 1.00 11.43 H new ATOM 0 HG2 PRO A 190 20.596 -0.812 7.248 1.00 11.22 H new ATOM 0 HG3 PRO A 190 20.578 -0.139 8.866 1.00 11.22 H new ATOM 0 HD2 PRO A 190 19.322 -2.598 7.938 1.00 10.57 H new ATOM 0 HD3 PRO A 190 19.415 -1.990 9.579 1.00 10.57 H new ATOM 576 N PRO A 191 16.285 -0.549 5.467 1.00 10.37 N ATOM 577 CA PRO A 191 16.034 -1.032 4.108 1.00 10.30 C ATOM 578 C PRO A 191 17.015 -0.419 3.100 1.00 10.68 C ATOM 579 O PRO A 191 17.524 -1.114 2.215 1.00 10.94 O ATOM 580 CB PRO A 191 14.595 -0.579 3.821 1.00 9.89 C ATOM 581 CG PRO A 191 14.300 0.481 4.826 1.00 9.82 C ATOM 582 CD PRO A 191 15.121 0.150 6.038 1.00 10.13 C ATOM 0 HA PRO A 191 16.167 -2.110 4.019 1.00 10.30 H new ATOM 0 HB2 PRO A 191 14.501 -0.194 2.806 1.00 9.89 H new ATOM 0 HB3 PRO A 191 13.897 -1.411 3.912 1.00 9.89 H new ATOM 0 HG2 PRO A 191 14.558 1.467 4.439 1.00 9.82 H new ATOM 0 HG3 PRO A 191 13.238 0.502 5.069 1.00 9.82 H new ATOM 0 HD2 PRO A 191 15.416 1.047 6.583 1.00 10.13 H new ATOM 0 HD3 PRO A 191 14.573 -0.482 6.737 1.00 10.13 H new ATOM 590 N ASN A 192 17.271 0.891 3.264 1.00 10.83 N ATOM 591 CA ASN A 192 18.188 1.663 2.403 1.00 11.33 C ATOM 592 C ASN A 192 17.705 1.729 0.960 1.00 11.24 C ATOM 593 O ASN A 192 18.440 2.146 0.059 1.00 11.75 O ATOM 594 CB ASN A 192 19.584 1.045 2.425 1.00 11.90 C ATOM 595 CG ASN A 192 20.415 1.471 3.615 1.00 12.46 C ATOM 596 OD1 ASN A 192 21.011 2.547 3.613 1.00 12.68 O ATOM 597 ND2 ASN A 192 20.473 0.628 4.635 1.00 12.84 N ATOM 0 H ASN A 192 16.844 1.449 4.003 1.00 10.83 H new ATOM 0 HA ASN A 192 18.216 2.676 2.804 1.00 11.33 H new ATOM 0 HB2 ASN A 192 19.492 -0.041 2.427 1.00 11.90 H new ATOM 0 HB3 ASN A 192 20.108 1.319 1.509 1.00 11.90 H new ATOM 0 HD21 ASN A 192 21.027 0.862 5.459 1.00 12.84 H new ATOM 0 HD22 ASN A 192 19.963 -0.255 4.597 1.00 12.84 H new ATOM 604 N ILE A 193 16.458 1.349 0.746 1.00 10.63 N ATOM 605 CA ILE A 193 15.886 1.378 -0.585 1.00 10.51 C ATOM 606 C ILE A 193 14.510 2.009 -0.536 1.00 9.90 C ATOM 607 O ILE A 193 13.726 1.743 0.374 1.00 9.52 O ATOM 608 CB ILE A 193 15.778 -0.031 -1.208 1.00 10.37 C ATOM 609 CG1 ILE A 193 17.111 -0.775 -1.037 1.00 10.58 C ATOM 610 CG2 ILE A 193 15.402 0.085 -2.683 1.00 10.81 C ATOM 611 CD1 ILE A 193 17.141 -2.173 -1.611 1.00 10.26 C ATOM 0 H ILE A 193 15.825 1.018 1.475 1.00 10.63 H new ATOM 0 HA ILE A 193 16.554 1.968 -1.212 1.00 10.51 H new ATOM 0 HB ILE A 193 14.999 -0.599 -0.699 1.00 10.37 H new ATOM 0 HG12 ILE A 193 17.900 -0.188 -1.507 1.00 10.58 H new ATOM 0 HG13 ILE A 193 17.345 -0.830 0.026 1.00 10.58 H new ATOM 0 HG21 ILE A 193 15.327 -0.911 -3.119 1.00 10.81 H new ATOM 0 HG22 ILE A 193 14.443 0.595 -2.775 1.00 10.81 H new ATOM 0 HG23 ILE A 193 16.167 0.655 -3.210 1.00 10.81 H new ATOM 0 HD11 ILE A 193 18.123 -2.615 -1.441 1.00 10.26 H new ATOM 0 HD12 ILE A 193 16.379 -2.782 -1.125 1.00 10.26 H new ATOM 0 HD13 ILE A 193 16.943 -2.131 -2.682 1.00 10.26 H new ATOM 623 N ASN A 194 14.224 2.851 -1.507 1.00 9.87 N ATOM 624 CA ASN A 194 12.938 3.522 -1.571 1.00 9.35 C ATOM 625 C ASN A 194 11.993 2.827 -2.560 1.00 8.86 C ATOM 626 O ASN A 194 11.707 3.348 -3.635 1.00 8.57 O ATOM 627 CB ASN A 194 13.119 5.005 -1.927 1.00 9.78 C ATOM 628 CG ASN A 194 13.834 5.225 -3.245 1.00 10.10 C ATOM 629 OD1 ASN A 194 14.722 4.459 -3.629 1.00 10.43 O ATOM 630 ND2 ASN A 194 13.446 6.272 -3.948 1.00 10.17 N ATOM 0 H ASN A 194 14.864 3.089 -2.265 1.00 9.87 H new ATOM 0 HA ASN A 194 12.478 3.462 -0.584 1.00 9.35 H new ATOM 0 HB2 ASN A 194 12.140 5.483 -1.969 1.00 9.78 H new ATOM 0 HB3 ASN A 194 13.680 5.496 -1.132 1.00 9.78 H new ATOM 0 HD21 ASN A 194 13.884 6.474 -4.847 1.00 10.17 H new ATOM 0 HD22 ASN A 194 12.708 6.880 -3.593 1.00 10.17 H new ATOM 637 N THR A 195 11.556 1.614 -2.221 1.00 8.88 N ATOM 638 CA THR A 195 10.618 0.861 -3.059 1.00 8.49 C ATOM 639 C THR A 195 10.028 -0.302 -2.266 1.00 7.92 C ATOM 640 O THR A 195 10.760 -1.018 -1.592 1.00 8.08 O ATOM 641 CB THR A 195 11.287 0.286 -4.333 1.00 9.05 C ATOM 642 OG1 THR A 195 12.524 0.952 -4.615 1.00 9.80 O ATOM 643 CG2 THR A 195 10.358 0.410 -5.530 1.00 8.98 C ATOM 0 H THR A 195 11.837 1.129 -1.369 1.00 8.88 H new ATOM 0 HA THR A 195 9.842 1.563 -3.364 1.00 8.49 H new ATOM 0 HB THR A 195 11.493 -0.768 -4.147 1.00 9.05 H new ATOM 0 HG1 THR A 195 12.925 0.569 -5.423 1.00 9.80 H new ATOM 0 HG21 THR A 195 10.847 0.001 -6.414 1.00 8.98 H new ATOM 0 HG22 THR A 195 9.438 -0.142 -5.336 1.00 8.98 H new ATOM 0 HG23 THR A 195 10.122 1.460 -5.700 1.00 8.98 H new ATOM 651 N TRP A 196 8.720 -0.506 -2.383 1.00 7.29 N ATOM 652 CA TRP A 196 8.034 -1.582 -1.664 1.00 6.73 C ATOM 653 C TRP A 196 8.479 -2.960 -2.138 1.00 7.00 C ATOM 654 O TRP A 196 8.577 -3.894 -1.347 1.00 6.84 O ATOM 655 CB TRP A 196 6.514 -1.454 -1.820 1.00 6.14 C ATOM 656 CG TRP A 196 5.834 -0.838 -0.632 1.00 5.65 C ATOM 657 CD1 TRP A 196 5.173 0.359 -0.593 1.00 5.54 C ATOM 658 CD2 TRP A 196 5.743 -1.389 0.691 1.00 5.33 C ATOM 659 NE1 TRP A 196 4.683 0.587 0.669 1.00 5.20 N ATOM 660 CE2 TRP A 196 5.017 -0.470 1.476 1.00 5.06 C ATOM 661 CE3 TRP A 196 6.205 -2.565 1.292 1.00 5.33 C ATOM 662 CZ2 TRP A 196 4.742 -0.694 2.822 1.00 4.84 C ATOM 663 CZ3 TRP A 196 5.931 -2.784 2.627 1.00 5.05 C ATOM 664 CH2 TRP A 196 5.207 -1.853 3.380 1.00 4.82 C ATOM 0 H TRP A 196 8.109 0.061 -2.971 1.00 7.29 H new ATOM 0 HA TRP A 196 8.303 -1.482 -0.612 1.00 6.73 H new ATOM 0 HB2 TRP A 196 6.298 -0.853 -2.703 1.00 6.14 H new ATOM 0 HB3 TRP A 196 6.091 -2.443 -1.997 1.00 6.14 H new ATOM 0 HD1 TRP A 196 5.054 1.027 -1.433 1.00 5.54 H new ATOM 0 HE1 TRP A 196 4.155 1.410 0.960 1.00 5.20 H new ATOM 0 HE3 TRP A 196 6.767 -3.289 0.721 1.00 5.33 H new ATOM 0 HZ2 TRP A 196 4.181 0.022 3.405 1.00 4.84 H new ATOM 0 HZ3 TRP A 196 6.282 -3.690 3.099 1.00 5.05 H new ATOM 0 HH2 TRP A 196 5.011 -2.054 4.423 1.00 4.82 H new ATOM 675 N GLN A 197 8.761 -3.076 -3.427 1.00 7.47 N ATOM 676 CA GLN A 197 9.179 -4.348 -4.002 1.00 7.85 C ATOM 677 C GLN A 197 10.561 -4.768 -3.495 1.00 8.27 C ATOM 678 O GLN A 197 10.837 -5.955 -3.333 1.00 8.37 O ATOM 679 CB GLN A 197 9.189 -4.258 -5.529 1.00 8.38 C ATOM 680 CG GLN A 197 9.491 -5.578 -6.220 1.00 8.33 C ATOM 681 CD GLN A 197 8.458 -6.647 -5.923 1.00 8.43 C ATOM 682 OE1 GLN A 197 7.468 -6.789 -6.642 1.00 8.59 O ATOM 683 NE2 GLN A 197 8.681 -7.408 -4.862 1.00 8.60 N ATOM 0 H GLN A 197 8.708 -2.307 -4.095 1.00 7.47 H new ATOM 0 HA GLN A 197 8.461 -5.106 -3.688 1.00 7.85 H new ATOM 0 HB2 GLN A 197 8.219 -3.895 -5.868 1.00 8.38 H new ATOM 0 HB3 GLN A 197 9.931 -3.520 -5.835 1.00 8.38 H new ATOM 0 HG2 GLN A 197 9.540 -5.416 -7.297 1.00 8.33 H new ATOM 0 HG3 GLN A 197 10.473 -5.931 -5.906 1.00 8.33 H new ATOM 0 HE21 GLN A 197 9.514 -7.258 -4.292 1.00 8.60 H new ATOM 0 HE22 GLN A 197 8.020 -8.144 -4.615 1.00 8.60 H new ATOM 692 N GLN A 198 11.420 -3.793 -3.244 1.00 8.57 N ATOM 693 CA GLN A 198 12.771 -4.076 -2.780 1.00 9.03 C ATOM 694 C GLN A 198 12.837 -4.221 -1.260 1.00 8.61 C ATOM 695 O GLN A 198 13.605 -5.032 -0.747 1.00 8.82 O ATOM 696 CB GLN A 198 13.727 -2.988 -3.255 1.00 9.66 C ATOM 697 CG GLN A 198 13.913 -2.970 -4.763 1.00 10.19 C ATOM 698 CD GLN A 198 15.363 -3.132 -5.175 1.00 10.85 C ATOM 699 OE1 GLN A 198 16.073 -2.152 -5.386 1.00 11.11 O ATOM 700 NE2 GLN A 198 15.810 -4.371 -5.303 1.00 11.29 N ATOM 0 H GLN A 198 11.208 -2.801 -3.353 1.00 8.57 H new ATOM 0 HA GLN A 198 13.073 -5.032 -3.208 1.00 9.03 H new ATOM 0 HB2 GLN A 198 13.352 -2.017 -2.930 1.00 9.66 H new ATOM 0 HB3 GLN A 198 14.696 -3.132 -2.778 1.00 9.66 H new ATOM 0 HG2 GLN A 198 13.322 -3.770 -5.208 1.00 10.19 H new ATOM 0 HG3 GLN A 198 13.529 -2.031 -5.161 1.00 10.19 H new ATOM 0 HE21 GLN A 198 15.189 -5.159 -5.119 1.00 11.29 H new ATOM 0 HE22 GLN A 198 16.776 -4.538 -5.586 1.00 11.29 H new ATOM 709 N VAL A 199 12.029 -3.450 -0.538 1.00 8.07 N ATOM 710 CA VAL A 199 12.033 -3.517 0.923 1.00 7.70 C ATOM 711 C VAL A 199 11.462 -4.850 1.418 1.00 7.32 C ATOM 712 O VAL A 199 11.800 -5.312 2.507 1.00 7.31 O ATOM 713 CB VAL A 199 11.258 -2.339 1.572 1.00 7.25 C ATOM 714 CG1 VAL A 199 11.908 -1.002 1.232 1.00 7.19 C ATOM 715 CG2 VAL A 199 9.800 -2.343 1.142 1.00 7.41 C ATOM 0 H VAL A 199 11.370 -2.779 -0.933 1.00 8.07 H new ATOM 0 HA VAL A 199 13.076 -3.439 1.230 1.00 7.70 H new ATOM 0 HB VAL A 199 11.297 -2.474 2.653 1.00 7.25 H new ATOM 0 HG11 VAL A 199 11.345 -0.194 1.699 1.00 7.19 H new ATOM 0 HG12 VAL A 199 12.933 -0.991 1.602 1.00 7.19 H new ATOM 0 HG13 VAL A 199 11.911 -0.864 0.151 1.00 7.19 H new ATOM 0 HG21 VAL A 199 9.280 -1.508 1.611 1.00 7.41 H new ATOM 0 HG22 VAL A 199 9.740 -2.245 0.058 1.00 7.41 H new ATOM 0 HG23 VAL A 199 9.333 -3.279 1.448 1.00 7.41 H new ATOM 725 N THR A 200 10.610 -5.471 0.610 1.00 7.10 N ATOM 726 CA THR A 200 10.012 -6.747 0.975 1.00 6.83 C ATOM 727 C THR A 200 10.975 -7.904 0.707 1.00 7.39 C ATOM 728 O THR A 200 10.851 -8.981 1.293 1.00 7.30 O ATOM 729 CB THR A 200 8.703 -6.991 0.205 1.00 6.60 C ATOM 730 OG1 THR A 200 8.834 -6.516 -1.141 1.00 6.76 O ATOM 731 CG2 THR A 200 7.533 -6.292 0.882 1.00 6.11 C ATOM 0 H THR A 200 10.319 -5.112 -0.299 1.00 7.10 H new ATOM 0 HA THR A 200 9.794 -6.702 2.042 1.00 6.83 H new ATOM 0 HB THR A 200 8.507 -8.063 0.198 1.00 6.60 H new ATOM 0 HG1 THR A 200 8.483 -5.603 -1.201 1.00 6.76 H new ATOM 0 HG21 THR A 200 6.620 -6.481 0.317 1.00 6.11 H new ATOM 0 HG22 THR A 200 7.418 -6.675 1.896 1.00 6.11 H new ATOM 0 HG23 THR A 200 7.722 -5.219 0.918 1.00 6.11 H new ATOM 739 N ALA A 201 11.950 -7.664 -0.168 1.00 8.02 N ATOM 740 CA ALA A 201 12.936 -8.678 -0.524 1.00 8.63 C ATOM 741 C ALA A 201 13.774 -9.076 0.684 1.00 8.64 C ATOM 742 O ALA A 201 14.317 -10.177 0.742 1.00 8.93 O ATOM 743 CB ALA A 201 13.833 -8.177 -1.645 1.00 9.32 C ATOM 0 H ALA A 201 12.077 -6.771 -0.644 1.00 8.02 H new ATOM 0 HA ALA A 201 12.399 -9.561 -0.871 1.00 8.63 H new ATOM 0 HB1 ALA A 201 14.563 -8.946 -1.898 1.00 9.32 H new ATOM 0 HB2 ALA A 201 13.227 -7.949 -2.522 1.00 9.32 H new ATOM 0 HB3 ALA A 201 14.353 -7.276 -1.320 1.00 9.32 H new ATOM 749 N LEU A 202 13.854 -8.179 1.658 1.00 8.38 N ATOM 750 CA LEU A 202 14.620 -8.424 2.872 1.00 8.45 C ATOM 751 C LEU A 202 14.039 -9.600 3.660 1.00 8.04 C ATOM 752 O LEU A 202 14.742 -10.239 4.447 1.00 8.27 O ATOM 753 CB LEU A 202 14.648 -7.164 3.739 1.00 8.32 C ATOM 754 CG LEU A 202 15.074 -5.882 3.016 1.00 8.50 C ATOM 755 CD1 LEU A 202 15.066 -4.706 3.976 1.00 8.35 C ATOM 756 CD2 LEU A 202 16.451 -6.047 2.384 1.00 9.03 C ATOM 0 H LEU A 202 13.394 -7.269 1.630 1.00 8.38 H new ATOM 0 HA LEU A 202 15.640 -8.681 2.587 1.00 8.45 H new ATOM 0 HB2 LEU A 202 13.655 -7.011 4.161 1.00 8.32 H new ATOM 0 HB3 LEU A 202 15.327 -7.333 4.575 1.00 8.32 H new ATOM 0 HG LEU A 202 14.357 -5.685 2.219 1.00 8.50 H new ATOM 0 HD11 LEU A 202 15.371 -3.803 3.447 1.00 8.35 H new ATOM 0 HD12 LEU A 202 14.061 -4.570 4.377 1.00 8.35 H new ATOM 0 HD13 LEU A 202 15.760 -4.899 4.794 1.00 8.35 H new ATOM 0 HD21 LEU A 202 16.731 -5.124 1.877 1.00 9.03 H new ATOM 0 HD22 LEU A 202 17.183 -6.271 3.160 1.00 9.03 H new ATOM 0 HD23 LEU A 202 16.425 -6.864 1.663 1.00 9.03 H new ATOM 768 N ALA A 203 12.760 -9.890 3.440 1.00 7.51 N ATOM 769 CA ALA A 203 12.104 -11.002 4.113 1.00 7.19 C ATOM 770 C ALA A 203 12.643 -12.315 3.565 1.00 7.64 C ATOM 771 O ALA A 203 12.836 -13.280 4.303 1.00 7.71 O ATOM 772 CB ALA A 203 10.594 -10.924 3.934 1.00 6.60 C ATOM 0 H ALA A 203 12.159 -9.370 2.801 1.00 7.51 H new ATOM 0 HA ALA A 203 12.316 -10.947 5.181 1.00 7.19 H new ATOM 0 HB1 ALA A 203 10.123 -11.764 4.445 1.00 6.60 H new ATOM 0 HB2 ALA A 203 10.225 -9.990 4.357 1.00 6.60 H new ATOM 0 HB3 ALA A 203 10.351 -10.962 2.872 1.00 6.60 H new ATOM 778 N GLN A 204 12.917 -12.324 2.264 1.00 8.03 N ATOM 779 CA GLN A 204 13.450 -13.499 1.590 1.00 8.56 C ATOM 780 C GLN A 204 14.938 -13.644 1.881 1.00 9.11 C ATOM 781 O GLN A 204 15.518 -14.713 1.708 1.00 9.51 O ATOM 782 CB GLN A 204 13.215 -13.398 0.079 1.00 8.89 C ATOM 783 CG GLN A 204 11.773 -13.647 -0.330 1.00 8.56 C ATOM 784 CD GLN A 204 11.291 -15.023 0.082 1.00 8.93 C ATOM 785 OE1 GLN A 204 10.743 -15.203 1.170 1.00 9.22 O ATOM 786 NE2 GLN A 204 11.498 -16.004 -0.778 1.00 9.16 N ATOM 0 H GLN A 204 12.776 -11.521 1.652 1.00 8.03 H new ATOM 0 HA GLN A 204 12.931 -14.381 1.966 1.00 8.56 H new ATOM 0 HB2 GLN A 204 13.515 -12.407 -0.261 1.00 8.89 H new ATOM 0 HB3 GLN A 204 13.857 -14.117 -0.429 1.00 8.89 H new ATOM 0 HG2 GLN A 204 11.133 -12.889 0.122 1.00 8.56 H new ATOM 0 HG3 GLN A 204 11.680 -13.540 -1.411 1.00 8.56 H new ATOM 0 HE21 GLN A 204 11.956 -15.813 -1.669 1.00 9.16 H new ATOM 0 HE22 GLN A 204 11.200 -16.953 -0.551 1.00 9.16 H new ATOM 795 N GLN A 205 15.548 -12.556 2.332 1.00 9.17 N ATOM 796 CA GLN A 205 16.964 -12.554 2.663 1.00 9.72 C ATOM 797 C GLN A 205 17.172 -12.977 4.111 1.00 9.52 C ATOM 798 O GLN A 205 18.294 -12.960 4.616 1.00 9.93 O ATOM 799 CB GLN A 205 17.572 -11.168 2.429 1.00 10.00 C ATOM 800 CG GLN A 205 17.477 -10.689 0.986 1.00 10.36 C ATOM 801 CD GLN A 205 17.977 -11.714 -0.017 1.00 10.95 C ATOM 802 OE1 GLN A 205 18.837 -12.539 0.290 1.00 11.13 O ATOM 803 NE2 GLN A 205 17.446 -11.668 -1.228 1.00 11.44 N ATOM 0 H GLN A 205 15.081 -11.661 2.477 1.00 9.17 H new ATOM 0 HA GLN A 205 17.467 -13.269 2.011 1.00 9.72 H new ATOM 0 HB2 GLN A 205 17.070 -10.448 3.075 1.00 10.00 H new ATOM 0 HB3 GLN A 205 18.620 -11.187 2.727 1.00 10.00 H new ATOM 0 HG2 GLN A 205 16.440 -10.443 0.759 1.00 10.36 H new ATOM 0 HG3 GLN A 205 18.054 -9.771 0.876 1.00 10.36 H new ATOM 0 HE21 GLN A 205 16.735 -10.970 -1.447 1.00 11.44 H new ATOM 0 HE22 GLN A 205 17.748 -12.330 -1.943 1.00 11.44 H new ATOM 812 N LYS A 206 16.068 -13.341 4.772 1.00 8.93 N ATOM 813 CA LYS A 206 16.089 -13.789 6.165 1.00 8.75 C ATOM 814 C LYS A 206 16.516 -12.670 7.114 1.00 8.72 C ATOM 815 O LYS A 206 16.958 -12.931 8.230 1.00 8.89 O ATOM 816 CB LYS A 206 17.014 -15.000 6.326 1.00 9.26 C ATOM 817 CG LYS A 206 16.597 -16.196 5.488 1.00 9.36 C ATOM 818 CD LYS A 206 17.734 -17.188 5.314 1.00 9.64 C ATOM 819 CE LYS A 206 18.836 -16.635 4.421 1.00 9.95 C ATOM 820 NZ LYS A 206 19.635 -17.724 3.798 1.00 10.29 N1+ ATOM 0 H LYS A 206 15.137 -13.333 4.356 1.00 8.93 H new ATOM 0 HA LYS A 206 15.072 -14.079 6.429 1.00 8.75 H new ATOM 0 HB2 LYS A 206 18.029 -14.711 6.053 1.00 9.26 H new ATOM 0 HB3 LYS A 206 17.038 -15.292 7.376 1.00 9.26 H new ATOM 0 HG2 LYS A 206 15.750 -16.693 5.961 1.00 9.36 H new ATOM 0 HG3 LYS A 206 16.260 -15.854 4.509 1.00 9.36 H new ATOM 0 HD2 LYS A 206 18.149 -17.440 6.290 1.00 9.64 H new ATOM 0 HD3 LYS A 206 17.347 -18.112 4.884 1.00 9.64 H new ATOM 0 HE2 LYS A 206 18.395 -16.014 3.641 1.00 9.95 H new ATOM 0 HE3 LYS A 206 19.492 -15.992 5.008 1.00 9.95 H new ATOM 0 HZ1 LYS A 206 20.376 -17.311 3.197 1.00 10.29 H new ATOM 0 HZ2 LYS A 206 20.075 -18.301 4.543 1.00 10.29 H new ATOM 0 HZ3 LYS A 206 19.013 -18.323 3.218 1.00 10.29 H new ATOM 834 N LEU A 207 16.362 -11.428 6.677 1.00 8.58 N ATOM 835 CA LEU A 207 16.736 -10.284 7.499 1.00 8.66 C ATOM 836 C LEU A 207 15.580 -9.882 8.406 1.00 8.06 C ATOM 837 O LEU A 207 15.780 -9.520 9.565 1.00 8.10 O ATOM 838 CB LEU A 207 17.144 -9.102 6.614 1.00 9.02 C ATOM 839 CG LEU A 207 18.345 -9.352 5.699 1.00 9.66 C ATOM 840 CD1 LEU A 207 18.478 -8.232 4.679 1.00 9.96 C ATOM 841 CD2 LEU A 207 19.621 -9.481 6.516 1.00 10.21 C ATOM 0 H LEU A 207 15.982 -11.186 5.762 1.00 8.58 H new ATOM 0 HA LEU A 207 17.586 -10.568 8.119 1.00 8.66 H new ATOM 0 HB2 LEU A 207 16.291 -8.820 5.997 1.00 9.02 H new ATOM 0 HB3 LEU A 207 17.368 -8.250 7.256 1.00 9.02 H new ATOM 0 HG LEU A 207 18.182 -10.288 5.165 1.00 9.66 H new ATOM 0 HD11 LEU A 207 19.337 -8.425 4.036 1.00 9.96 H new ATOM 0 HD12 LEU A 207 17.574 -8.184 4.072 1.00 9.96 H new ATOM 0 HD13 LEU A 207 18.619 -7.283 5.197 1.00 9.96 H new ATOM 0 HD21 LEU A 207 20.464 -9.658 5.848 1.00 10.21 H new ATOM 0 HD22 LEU A 207 19.789 -8.561 7.076 1.00 10.21 H new ATOM 0 HD23 LEU A 207 19.526 -10.316 7.210 1.00 10.21 H new ATOM 853 N LEU A 208 14.372 -9.962 7.874 1.00 7.59 N ATOM 854 CA LEU A 208 13.178 -9.602 8.626 1.00 7.05 C ATOM 855 C LEU A 208 12.571 -10.822 9.297 1.00 6.95 C ATOM 856 O LEU A 208 12.309 -11.834 8.642 1.00 6.96 O ATOM 857 CB LEU A 208 12.139 -8.958 7.702 1.00 6.63 C ATOM 858 CG LEU A 208 12.071 -7.431 7.750 1.00 6.34 C ATOM 859 CD1 LEU A 208 13.374 -6.813 7.268 1.00 6.60 C ATOM 860 CD2 LEU A 208 10.904 -6.930 6.914 1.00 5.96 C ATOM 0 H LEU A 208 14.190 -10.274 6.920 1.00 7.59 H new ATOM 0 HA LEU A 208 13.471 -8.887 9.395 1.00 7.05 H new ATOM 0 HB2 LEU A 208 12.351 -9.263 6.677 1.00 6.63 H new ATOM 0 HB3 LEU A 208 11.157 -9.356 7.956 1.00 6.63 H new ATOM 0 HG LEU A 208 11.917 -7.128 8.786 1.00 6.34 H new ATOM 0 HD11 LEU A 208 13.300 -5.726 7.312 1.00 6.60 H new ATOM 0 HD12 LEU A 208 14.193 -7.147 7.906 1.00 6.60 H new ATOM 0 HD13 LEU A 208 13.565 -7.122 6.240 1.00 6.60 H new ATOM 0 HD21 LEU A 208 10.867 -5.841 6.957 1.00 5.96 H new ATOM 0 HD22 LEU A 208 11.034 -7.248 5.880 1.00 5.96 H new ATOM 0 HD23 LEU A 208 9.973 -7.340 7.306 1.00 5.96 H new ATOM 872 N THR A 209 12.355 -10.722 10.598 1.00 6.97 N ATOM 873 CA THR A 209 11.759 -11.807 11.355 1.00 7.00 C ATOM 874 C THR A 209 10.239 -11.671 11.305 1.00 6.57 C ATOM 875 O THR A 209 9.734 -10.609 10.929 1.00 6.24 O ATOM 876 CB THR A 209 12.237 -11.794 12.828 1.00 7.40 C ATOM 877 OG1 THR A 209 11.770 -10.615 13.498 1.00 7.39 O ATOM 878 CG2 THR A 209 13.757 -11.854 12.906 1.00 7.89 C ATOM 0 H THR A 209 12.585 -9.897 11.152 1.00 6.97 H new ATOM 0 HA THR A 209 12.068 -12.753 10.911 1.00 7.00 H new ATOM 0 HB THR A 209 11.824 -12.674 13.320 1.00 7.40 H new ATOM 0 HG1 THR A 209 12.128 -9.820 13.050 1.00 7.39 H new ATOM 0 HG21 THR A 209 14.068 -11.844 13.951 1.00 7.89 H new ATOM 0 HG22 THR A 209 14.110 -12.770 12.431 1.00 7.89 H new ATOM 0 HG23 THR A 209 14.182 -10.992 12.392 1.00 7.89 H new ATOM 886 N PRO A 210 9.482 -12.733 11.646 1.00 6.66 N ATOM 887 CA PRO A 210 8.013 -12.694 11.652 1.00 6.45 C ATOM 888 C PRO A 210 7.460 -11.467 12.378 1.00 6.38 C ATOM 889 O PRO A 210 6.470 -10.873 11.953 1.00 6.16 O ATOM 890 CB PRO A 210 7.616 -13.978 12.399 1.00 6.85 C ATOM 891 CG PRO A 210 8.888 -14.583 12.898 1.00 7.16 C ATOM 892 CD PRO A 210 9.975 -14.070 12.005 1.00 7.08 C ATOM 0 HA PRO A 210 7.611 -12.631 10.641 1.00 6.45 H new ATOM 0 HB2 PRO A 210 6.941 -13.754 13.225 1.00 6.85 H new ATOM 0 HB3 PRO A 210 7.091 -14.667 11.737 1.00 6.85 H new ATOM 0 HG2 PRO A 210 9.072 -14.302 13.935 1.00 7.16 H new ATOM 0 HG3 PRO A 210 8.840 -15.671 12.866 1.00 7.16 H new ATOM 0 HD2 PRO A 210 10.935 -14.025 12.518 1.00 7.08 H new ATOM 0 HD3 PRO A 210 10.112 -14.702 11.127 1.00 7.08 H new ATOM 900 N GLN A 211 8.126 -11.080 13.458 1.00 6.66 N ATOM 901 CA GLN A 211 7.709 -9.929 14.247 1.00 6.77 C ATOM 902 C GLN A 211 7.870 -8.626 13.467 1.00 6.45 C ATOM 903 O GLN A 211 7.047 -7.719 13.586 1.00 6.38 O ATOM 904 CB GLN A 211 8.521 -9.854 15.539 1.00 7.30 C ATOM 905 CG GLN A 211 7.898 -10.601 16.704 1.00 7.72 C ATOM 906 CD GLN A 211 6.514 -10.091 17.049 1.00 8.30 C ATOM 907 OE1 GLN A 211 6.365 -9.113 17.783 1.00 8.70 O ATOM 908 NE2 GLN A 211 5.494 -10.752 16.528 1.00 8.61 N ATOM 0 H GLN A 211 8.961 -11.549 13.809 1.00 6.66 H new ATOM 0 HA GLN A 211 6.653 -10.057 14.484 1.00 6.77 H new ATOM 0 HB2 GLN A 211 9.517 -10.256 15.354 1.00 7.30 H new ATOM 0 HB3 GLN A 211 8.646 -8.808 15.817 1.00 7.30 H new ATOM 0 HG2 GLN A 211 7.840 -11.662 16.461 1.00 7.72 H new ATOM 0 HG3 GLN A 211 8.544 -10.508 17.577 1.00 7.72 H new ATOM 0 HE21 GLN A 211 5.663 -11.557 15.925 1.00 8.61 H new ATOM 0 HE22 GLN A 211 4.539 -10.457 16.729 1.00 8.61 H new ATOM 917 N ASP A 212 8.923 -8.540 12.662 1.00 6.37 N ATOM 918 CA ASP A 212 9.190 -7.336 11.881 1.00 6.18 C ATOM 919 C ASP A 212 8.198 -7.200 10.738 1.00 5.63 C ATOM 920 O ASP A 212 7.660 -6.120 10.500 1.00 5.44 O ATOM 921 CB ASP A 212 10.617 -7.351 11.331 1.00 6.44 C ATOM 922 CG ASP A 212 11.658 -7.387 12.429 1.00 7.03 C ATOM 923 OD1 ASP A 212 11.682 -6.456 13.269 1.00 7.38 O ATOM 924 OD2 ASP A 212 12.453 -8.351 12.466 1.00 7.34 O1- ATOM 0 H ASP A 212 9.605 -9.287 12.533 1.00 6.37 H new ATOM 0 HA ASP A 212 9.078 -6.479 12.545 1.00 6.18 H new ATOM 0 HB2 ASP A 212 10.745 -8.219 10.684 1.00 6.44 H new ATOM 0 HB3 ASP A 212 10.775 -6.467 10.713 1.00 6.44 H new ATOM 929 N MET A 213 7.936 -8.302 10.048 1.00 5.47 N ATOM 930 CA MET A 213 7.005 -8.289 8.924 1.00 5.06 C ATOM 931 C MET A 213 5.580 -8.015 9.402 1.00 4.94 C ATOM 932 O MET A 213 4.762 -7.468 8.666 1.00 4.64 O ATOM 933 CB MET A 213 7.072 -9.613 8.145 1.00 5.15 C ATOM 934 CG MET A 213 6.274 -10.751 8.769 1.00 5.33 C ATOM 935 SD MET A 213 6.481 -12.315 7.895 1.00 5.56 S ATOM 936 CE MET A 213 5.706 -11.940 6.322 1.00 5.57 C ATOM 0 H MET A 213 8.352 -9.213 10.244 1.00 5.47 H new ATOM 0 HA MET A 213 7.298 -7.483 8.251 1.00 5.06 H new ATOM 0 HB2 MET A 213 6.708 -9.443 7.132 1.00 5.15 H new ATOM 0 HB3 MET A 213 8.115 -9.919 8.062 1.00 5.15 H new ATOM 0 HG2 MET A 213 6.582 -10.877 9.807 1.00 5.33 H new ATOM 0 HG3 MET A 213 5.217 -10.484 8.780 1.00 5.33 H new ATOM 0 HE1 MET A 213 5.451 -12.869 5.811 1.00 5.57 H new ATOM 0 HE2 MET A 213 4.799 -11.359 6.492 1.00 5.57 H new ATOM 0 HE3 MET A 213 6.395 -11.364 5.705 1.00 5.57 H new ATOM 946 N GLU A 214 5.299 -8.384 10.647 1.00 5.29 N ATOM 947 CA GLU A 214 3.981 -8.177 11.227 1.00 5.44 C ATOM 948 C GLU A 214 3.765 -6.705 11.555 1.00 5.41 C ATOM 949 O GLU A 214 2.665 -6.175 11.397 1.00 5.42 O ATOM 950 CB GLU A 214 3.821 -9.026 12.484 1.00 6.00 C ATOM 951 CG GLU A 214 2.469 -9.704 12.583 1.00 6.18 C ATOM 952 CD GLU A 214 2.331 -10.544 13.832 1.00 6.23 C ATOM 953 OE1 GLU A 214 2.082 -9.969 14.913 1.00 6.40 O1- ATOM 954 OE2 GLU A 214 2.460 -11.785 13.742 1.00 6.43 O ATOM 0 H GLU A 214 5.970 -8.829 11.274 1.00 5.29 H new ATOM 0 HA GLU A 214 3.230 -8.481 10.498 1.00 5.44 H new ATOM 0 HB2 GLU A 214 4.603 -9.786 12.503 1.00 6.00 H new ATOM 0 HB3 GLU A 214 3.968 -8.395 13.361 1.00 6.00 H new ATOM 0 HG2 GLU A 214 1.685 -8.947 12.570 1.00 6.18 H new ATOM 0 HG3 GLU A 214 2.318 -10.334 11.707 1.00 6.18 H new ATOM 961 N ALA A 215 4.827 -6.047 11.998 1.00 5.51 N ATOM 962 CA ALA A 215 4.765 -4.632 12.349 1.00 5.66 C ATOM 963 C ALA A 215 4.752 -3.757 11.101 1.00 5.27 C ATOM 964 O ALA A 215 4.183 -2.661 11.100 1.00 5.33 O ATOM 965 CB ALA A 215 5.936 -4.263 13.243 1.00 6.08 C ATOM 0 H ALA A 215 5.746 -6.471 12.124 1.00 5.51 H new ATOM 0 HA ALA A 215 3.836 -4.456 12.892 1.00 5.66 H new ATOM 0 HB1 ALA A 215 5.879 -3.205 13.499 1.00 6.08 H new ATOM 0 HB2 ALA A 215 5.900 -4.859 14.155 1.00 6.08 H new ATOM 0 HB3 ALA A 215 6.871 -4.460 12.718 1.00 6.08 H new ATOM 971 N ALA A 216 5.359 -4.260 10.032 1.00 4.95 N ATOM 972 CA ALA A 216 5.431 -3.540 8.769 1.00 4.66 C ATOM 973 C ALA A 216 4.048 -3.396 8.151 1.00 4.31 C ATOM 974 O ALA A 216 3.813 -2.516 7.322 1.00 4.17 O ATOM 975 CB ALA A 216 6.377 -4.249 7.810 1.00 4.61 C ATOM 0 H ALA A 216 5.812 -5.174 10.017 1.00 4.95 H new ATOM 0 HA ALA A 216 5.820 -2.541 8.963 1.00 4.66 H new ATOM 0 HB1 ALA A 216 6.421 -3.700 6.870 1.00 4.61 H new ATOM 0 HB2 ALA A 216 7.373 -4.296 8.250 1.00 4.61 H new ATOM 0 HB3 ALA A 216 6.015 -5.260 7.623 1.00 4.61 H new ATOM 981 N LYS A 217 3.132 -4.263 8.564 1.00 4.31 N ATOM 982 CA LYS A 217 1.769 -4.239 8.051 1.00 4.20 C ATOM 983 C LYS A 217 1.090 -2.900 8.344 1.00 4.42 C ATOM 984 O LYS A 217 0.331 -2.388 7.519 1.00 4.34 O ATOM 985 CB LYS A 217 0.956 -5.384 8.650 1.00 4.47 C ATOM 986 CG LYS A 217 1.450 -6.761 8.241 1.00 4.63 C ATOM 987 CD LYS A 217 0.675 -7.857 8.951 1.00 5.07 C ATOM 988 CE LYS A 217 1.181 -9.240 8.573 1.00 5.46 C ATOM 989 NZ LYS A 217 0.366 -10.318 9.194 1.00 5.88 N1+ ATOM 0 H LYS A 217 3.309 -4.993 9.254 1.00 4.31 H new ATOM 0 HA LYS A 217 1.816 -4.365 6.969 1.00 4.20 H new ATOM 0 HB2 LYS A 217 0.981 -5.306 9.737 1.00 4.47 H new ATOM 0 HB3 LYS A 217 -0.085 -5.276 8.347 1.00 4.47 H new ATOM 0 HG2 LYS A 217 1.349 -6.881 7.162 1.00 4.63 H new ATOM 0 HG3 LYS A 217 2.511 -6.853 8.474 1.00 4.63 H new ATOM 0 HD2 LYS A 217 0.758 -7.721 10.029 1.00 5.07 H new ATOM 0 HD3 LYS A 217 -0.383 -7.776 8.700 1.00 5.07 H new ATOM 0 HE2 LYS A 217 1.162 -9.350 7.489 1.00 5.46 H new ATOM 0 HE3 LYS A 217 2.220 -9.344 8.886 1.00 5.46 H new ATOM 0 HZ1 LYS A 217 0.743 -11.245 8.912 1.00 5.88 H new ATOM 0 HZ2 LYS A 217 0.404 -10.229 10.230 1.00 5.88 H new ATOM 0 HZ3 LYS A 217 -0.621 -10.234 8.876 1.00 5.88 H new ATOM 1003 N GLU A 218 1.375 -2.320 9.519 1.00 0.00 N ATOM 1004 CA GLU A 218 0.787 -1.031 9.874 1.00 0.00 C ATOM 1005 C GLU A 218 1.285 0.061 8.959 1.00 0.00 C ATOM 1006 O GLU A 218 0.579 1.039 8.702 1.00 0.00 O ATOM 1007 CB GLU A 218 1.120 -0.692 11.355 1.00 0.00 C ATOM 1008 CG GLU A 218 0.445 -1.607 12.428 1.00 0.00 C ATOM 1009 CD GLU A 218 0.767 -1.363 13.890 1.00 0.00 C ATOM 1010 OE1 GLU A 218 1.582 -0.483 14.228 1.00 0.00 O ATOM 1011 OE2 GLU A 218 0.165 -2.075 14.721 1.00 0.00 O1- ATOM 0 H GLU A 218 1.997 -2.717 10.223 1.00 0.00 H new ATOM 0 HA GLU A 218 -0.295 -1.098 9.756 1.00 0.00 H new ATOM 0 HB2 GLU A 218 2.201 -0.745 11.487 1.00 0.00 H new ATOM 0 HB3 GLU A 218 0.826 0.340 11.547 1.00 0.00 H new ATOM 0 HG2 GLU A 218 -0.635 -1.520 12.307 1.00 0.00 H new ATOM 0 HG3 GLU A 218 0.709 -2.639 12.198 1.00 0.00 H new ATOM 1018 N VAL A 219 2.503 -0.103 8.455 1.00 4.99 N ATOM 1019 CA VAL A 219 3.114 0.871 7.561 1.00 5.07 C ATOM 1020 C VAL A 219 2.293 1.034 6.282 1.00 4.71 C ATOM 1021 O VAL A 219 1.978 2.152 5.879 1.00 4.89 O ATOM 1022 CB VAL A 219 4.557 0.455 7.199 1.00 5.20 C ATOM 1023 CG1 VAL A 219 5.153 1.390 6.158 1.00 5.47 C ATOM 1024 CG2 VAL A 219 5.426 0.414 8.446 1.00 5.63 C ATOM 0 H VAL A 219 3.092 -0.912 8.654 1.00 4.99 H new ATOM 0 HA VAL A 219 3.140 1.826 8.086 1.00 5.07 H new ATOM 0 HB VAL A 219 4.523 -0.545 6.767 1.00 5.20 H new ATOM 0 HG11 VAL A 219 6.169 1.073 5.923 1.00 5.47 H new ATOM 0 HG12 VAL A 219 4.546 1.362 5.253 1.00 5.47 H new ATOM 0 HG13 VAL A 219 5.172 2.407 6.551 1.00 5.47 H new ATOM 0 HG21 VAL A 219 6.439 0.119 8.174 1.00 5.63 H new ATOM 0 HG22 VAL A 219 5.447 1.401 8.908 1.00 5.63 H new ATOM 0 HG23 VAL A 219 5.015 -0.308 9.152 1.00 5.63 H new ATOM 1034 N TYR A 220 1.935 -0.089 5.666 1.00 4.28 N ATOM 1035 CA TYR A 220 1.158 -0.079 4.427 1.00 4.00 C ATOM 1036 C TYR A 220 -0.186 0.619 4.631 1.00 4.14 C ATOM 1037 O TYR A 220 -0.624 1.405 3.790 1.00 4.18 O ATOM 1038 CB TYR A 220 0.932 -1.514 3.933 1.00 3.69 C ATOM 1039 CG TYR A 220 0.519 -1.613 2.478 1.00 3.55 C ATOM 1040 CD1 TYR A 220 -0.812 -1.484 2.097 1.00 3.97 C ATOM 1041 CD2 TYR A 220 1.464 -1.846 1.485 1.00 3.52 C ATOM 1042 CE1 TYR A 220 -1.188 -1.580 0.769 1.00 4.12 C ATOM 1043 CE2 TYR A 220 1.098 -1.943 0.157 1.00 3.66 C ATOM 1044 CZ TYR A 220 -0.229 -1.809 -0.197 1.00 3.85 C ATOM 1045 OH TYR A 220 -0.598 -1.908 -1.518 1.00 4.23 O ATOM 0 H TYR A 220 2.171 -1.022 6.005 1.00 4.28 H new ATOM 0 HA TYR A 220 1.723 0.474 3.676 1.00 4.00 H new ATOM 0 HB2 TYR A 220 1.849 -2.085 4.078 1.00 3.69 H new ATOM 0 HB3 TYR A 220 0.164 -1.982 4.549 1.00 3.69 H new ATOM 0 HD1 TYR A 220 -1.565 -1.306 2.850 1.00 3.97 H new ATOM 0 HD2 TYR A 220 2.504 -1.953 1.757 1.00 3.52 H new ATOM 0 HE1 TYR A 220 -2.226 -1.476 0.490 1.00 4.12 H new ATOM 0 HE2 TYR A 220 1.846 -2.123 -0.601 1.00 3.66 H new ATOM 0 HH TYR A 220 0.125 -1.568 -2.086 1.00 4.23 H new ATOM 1055 N LYS A 221 -0.818 0.343 5.765 1.00 4.37 N ATOM 1056 CA LYS A 221 -2.117 0.927 6.083 1.00 4.73 C ATOM 1057 C LYS A 221 -2.040 2.447 6.207 1.00 5.09 C ATOM 1058 O LYS A 221 -2.923 3.159 5.741 1.00 5.27 O ATOM 1059 CB LYS A 221 -2.666 0.321 7.374 1.00 5.11 C ATOM 1060 CG LYS A 221 -3.027 -1.151 7.242 1.00 5.12 C ATOM 1061 CD LYS A 221 -3.627 -1.699 8.524 1.00 5.57 C ATOM 1062 CE LYS A 221 -4.005 -3.163 8.379 1.00 5.79 C ATOM 1063 NZ LYS A 221 -4.648 -3.699 9.609 1.00 6.17 N1+ ATOM 0 H LYS A 221 -0.452 -0.283 6.482 1.00 4.37 H new ATOM 0 HA LYS A 221 -2.793 0.696 5.260 1.00 4.73 H new ATOM 0 HB2 LYS A 221 -1.925 0.437 8.165 1.00 5.11 H new ATOM 0 HB3 LYS A 221 -3.551 0.879 7.682 1.00 5.11 H new ATOM 0 HG2 LYS A 221 -3.736 -1.280 6.424 1.00 5.12 H new ATOM 0 HG3 LYS A 221 -2.135 -1.723 6.984 1.00 5.12 H new ATOM 0 HD2 LYS A 221 -2.912 -1.585 9.339 1.00 5.57 H new ATOM 0 HD3 LYS A 221 -4.510 -1.119 8.791 1.00 5.57 H new ATOM 0 HE2 LYS A 221 -4.685 -3.280 7.535 1.00 5.79 H new ATOM 0 HE3 LYS A 221 -3.113 -3.747 8.153 1.00 5.79 H new ATOM 0 HZ1 LYS A 221 -4.889 -4.700 9.466 1.00 6.17 H new ATOM 0 HZ2 LYS A 221 -3.991 -3.612 10.410 1.00 6.17 H new ATOM 0 HZ3 LYS A 221 -5.514 -3.160 9.811 1.00 6.17 H new ATOM 1077 N ILE A 222 -0.987 2.944 6.839 1.00 5.30 N ATOM 1078 CA ILE A 222 -0.818 4.384 7.012 1.00 5.78 C ATOM 1079 C ILE A 222 -0.396 5.035 5.692 1.00 5.68 C ATOM 1080 O ILE A 222 -0.795 6.159 5.379 1.00 6.01 O ATOM 1081 CB ILE A 222 0.218 4.702 8.117 1.00 6.15 C ATOM 1082 CG1 ILE A 222 -0.197 4.039 9.436 1.00 6.30 C ATOM 1083 CG2 ILE A 222 0.361 6.208 8.304 1.00 6.74 C ATOM 1084 CD1 ILE A 222 0.862 4.101 10.517 1.00 6.53 C ATOM 0 H ILE A 222 -0.239 2.377 7.239 1.00 5.30 H new ATOM 0 HA ILE A 222 -1.779 4.796 7.321 1.00 5.78 H new ATOM 0 HB ILE A 222 1.184 4.302 7.810 1.00 6.15 H new ATOM 0 HG12 ILE A 222 -1.104 4.519 9.803 1.00 6.30 H new ATOM 0 HG13 ILE A 222 -0.445 2.995 9.244 1.00 6.30 H new ATOM 0 HG21 ILE A 222 1.094 6.410 9.085 1.00 6.74 H new ATOM 0 HG22 ILE A 222 0.693 6.661 7.370 1.00 6.74 H new ATOM 0 HG23 ILE A 222 -0.601 6.632 8.591 1.00 6.74 H new ATOM 0 HD11 ILE A 222 0.492 3.611 11.417 1.00 6.53 H new ATOM 0 HD12 ILE A 222 1.764 3.594 10.173 1.00 6.53 H new ATOM 0 HD13 ILE A 222 1.094 5.142 10.740 1.00 6.53 H new ATOM 1096 N HIS A 223 0.391 4.299 4.916 1.00 5.31 N ATOM 1097 CA HIS A 223 0.885 4.774 3.627 1.00 5.36 C ATOM 1098 C HIS A 223 -0.268 5.088 2.674 1.00 5.26 C ATOM 1099 O HIS A 223 -0.359 6.193 2.134 1.00 5.59 O ATOM 1100 CB HIS A 223 1.805 3.716 3.007 1.00 5.11 C ATOM 1101 CG HIS A 223 2.626 4.201 1.850 1.00 5.45 C ATOM 1102 ND1 HIS A 223 3.438 3.342 1.146 1.00 5.42 N ATOM 1103 CD2 HIS A 223 2.730 5.443 1.320 1.00 5.95 C ATOM 1104 CE1 HIS A 223 4.014 4.077 0.210 1.00 5.92 C ATOM 1105 NE2 HIS A 223 3.616 5.355 0.278 1.00 6.23 N ATOM 0 H HIS A 223 0.704 3.360 5.160 1.00 5.31 H new ATOM 0 HA HIS A 223 1.445 5.695 3.792 1.00 5.36 H new ATOM 0 HB2 HIS A 223 2.476 3.340 3.779 1.00 5.11 H new ATOM 0 HB3 HIS A 223 1.197 2.874 2.676 1.00 5.11 H new ATOM 0 HD2 HIS A 223 2.214 6.331 1.654 1.00 5.95 H new ATOM 0 HE1 HIS A 223 4.716 3.696 -0.517 1.00 5.92 H new ATOM 0 HE2 HIS A 223 3.916 6.117 -0.330 1.00 6.23 H new ATOM 1113 N GLN A 224 -1.163 4.125 2.492 1.00 4.91 N ATOM 1114 CA GLN A 224 -2.299 4.296 1.590 1.00 4.90 C ATOM 1115 C GLN A 224 -3.262 5.369 2.094 1.00 5.38 C ATOM 1116 O GLN A 224 -4.002 5.967 1.311 1.00 5.57 O ATOM 1117 CB GLN A 224 -3.034 2.966 1.392 1.00 4.63 C ATOM 1118 CG GLN A 224 -3.749 2.463 2.635 1.00 4.79 C ATOM 1119 CD GLN A 224 -4.192 1.018 2.510 1.00 4.97 C ATOM 1120 OE1 GLN A 224 -4.237 0.283 3.498 1.00 5.09 O ATOM 1121 NE2 GLN A 224 -4.538 0.602 1.301 1.00 5.38 N ATOM 0 H GLN A 224 -1.126 3.217 2.956 1.00 4.91 H new ATOM 0 HA GLN A 224 -1.908 4.628 0.628 1.00 4.90 H new ATOM 0 HB2 GLN A 224 -3.762 3.081 0.589 1.00 4.63 H new ATOM 0 HB3 GLN A 224 -2.317 2.212 1.067 1.00 4.63 H new ATOM 0 HG2 GLN A 224 -3.087 2.563 3.495 1.00 4.79 H new ATOM 0 HG3 GLN A 224 -4.619 3.090 2.828 1.00 4.79 H new ATOM 0 HE21 GLN A 224 -4.487 1.241 0.508 1.00 5.38 H new ATOM 0 HE22 GLN A 224 -4.856 -0.357 1.163 1.00 5.38 H new ATOM 1130 N GLN A 225 -3.241 5.625 3.396 1.00 5.66 N ATOM 1131 CA GLN A 225 -4.121 6.630 3.980 1.00 6.22 C ATOM 1132 C GLN A 225 -3.671 8.031 3.582 1.00 6.53 C ATOM 1133 O GLN A 225 -4.497 8.911 3.331 1.00 6.88 O ATOM 1134 CB GLN A 225 -4.155 6.501 5.500 1.00 6.56 C ATOM 1135 CG GLN A 225 -5.076 5.396 5.998 1.00 6.94 C ATOM 1136 CD GLN A 225 -5.098 5.293 7.508 1.00 7.36 C ATOM 1137 OE1 GLN A 225 -5.882 5.968 8.177 1.00 7.76 O ATOM 1138 NE2 GLN A 225 -4.251 4.434 8.049 1.00 7.56 N ATOM 0 H GLN A 225 -2.629 5.155 4.063 1.00 5.66 H new ATOM 0 HA GLN A 225 -5.127 6.463 3.596 1.00 6.22 H new ATOM 0 HB2 GLN A 225 -3.145 6.311 5.863 1.00 6.56 H new ATOM 0 HB3 GLN A 225 -4.475 7.450 5.930 1.00 6.56 H new ATOM 0 HG2 GLN A 225 -6.087 5.580 5.635 1.00 6.94 H new ATOM 0 HG3 GLN A 225 -4.755 4.443 5.577 1.00 6.94 H new ATOM 0 HE21 GLN A 225 -3.620 3.897 7.454 1.00 7.56 H new ATOM 0 HE22 GLN A 225 -4.228 4.309 9.061 1.00 7.56 H new ATOM 1147 N LEU A 226 -2.362 8.226 3.509 1.00 6.49 N ATOM 1148 CA LEU A 226 -1.804 9.519 3.141 1.00 6.92 C ATOM 1149 C LEU A 226 -1.987 9.788 1.652 1.00 6.85 C ATOM 1150 O LEU A 226 -2.314 10.907 1.252 1.00 7.28 O ATOM 1151 CB LEU A 226 -0.317 9.584 3.500 1.00 7.02 C ATOM 1152 CG LEU A 226 -0.012 9.696 4.993 1.00 7.62 C ATOM 1153 CD1 LEU A 226 1.475 9.496 5.248 1.00 7.93 C ATOM 1154 CD2 LEU A 226 -0.471 11.043 5.532 1.00 8.09 C ATOM 0 H LEU A 226 -1.666 7.505 3.700 1.00 6.49 H new ATOM 0 HA LEU A 226 -2.339 10.285 3.702 1.00 6.92 H new ATOM 0 HB2 LEU A 226 0.173 8.692 3.111 1.00 7.02 H new ATOM 0 HB3 LEU A 226 0.126 10.439 2.990 1.00 7.02 H new ATOM 0 HG LEU A 226 -0.560 8.913 5.517 1.00 7.62 H new ATOM 0 HD11 LEU A 226 1.675 9.579 6.316 1.00 7.93 H new ATOM 0 HD12 LEU A 226 1.774 8.508 4.898 1.00 7.93 H new ATOM 0 HD13 LEU A 226 2.042 10.258 4.712 1.00 7.93 H new ATOM 0 HD21 LEU A 226 -0.246 11.105 6.597 1.00 8.09 H new ATOM 0 HD22 LEU A 226 0.049 11.842 5.004 1.00 8.09 H new ATOM 0 HD23 LEU A 226 -1.546 11.148 5.382 1.00 8.09 H new ATOM 1166 N LEU A 227 -1.797 8.756 0.838 1.00 6.38 N ATOM 1167 CA LEU A 227 -1.931 8.894 -0.609 1.00 6.38 C ATOM 1168 C LEU A 227 -3.358 9.261 -1.004 1.00 6.51 C ATOM 1169 O LEU A 227 -3.560 10.086 -1.895 1.00 6.81 O ATOM 1170 CB LEU A 227 -1.498 7.611 -1.322 1.00 5.94 C ATOM 1171 CG LEU A 227 0.005 7.486 -1.588 1.00 5.92 C ATOM 1172 CD1 LEU A 227 0.294 6.258 -2.436 1.00 5.56 C ATOM 1173 CD2 LEU A 227 0.534 8.736 -2.274 1.00 6.51 C ATOM 0 H LEU A 227 -1.551 7.818 1.153 1.00 6.38 H new ATOM 0 HA LEU A 227 -1.274 9.706 -0.921 1.00 6.38 H new ATOM 0 HB2 LEU A 227 -1.817 6.757 -0.724 1.00 5.94 H new ATOM 0 HB3 LEU A 227 -2.025 7.548 -2.274 1.00 5.94 H new ATOM 0 HG LEU A 227 0.514 7.376 -0.630 1.00 5.92 H new ATOM 0 HD11 LEU A 227 1.367 6.184 -2.616 1.00 5.56 H new ATOM 0 HD12 LEU A 227 -0.049 5.365 -1.912 1.00 5.56 H new ATOM 0 HD13 LEU A 227 -0.229 6.343 -3.389 1.00 5.56 H new ATOM 0 HD21 LEU A 227 1.603 8.627 -2.454 1.00 6.51 H new ATOM 0 HD22 LEU A 227 0.018 8.876 -3.224 1.00 6.51 H new ATOM 0 HD23 LEU A 227 0.360 9.602 -1.636 1.00 6.51 H new ATOM 1185 N PHE A 228 -4.343 8.662 -0.341 1.00 6.38 N ATOM 1186 CA PHE A 228 -5.743 8.950 -0.641 1.00 6.62 C ATOM 1187 C PHE A 228 -6.043 10.428 -0.412 1.00 7.17 C ATOM 1188 O PHE A 228 -6.677 11.082 -1.242 1.00 7.44 O ATOM 1189 CB PHE A 228 -6.670 8.086 0.219 1.00 6.57 C ATOM 1190 CG PHE A 228 -8.090 8.069 -0.251 1.00 6.89 C ATOM 1191 CD1 PHE A 228 -8.488 7.208 -1.258 1.00 7.04 C ATOM 1192 CD2 PHE A 228 -9.029 8.913 0.315 1.00 7.26 C ATOM 1193 CE1 PHE A 228 -9.796 7.185 -1.689 1.00 7.43 C ATOM 1194 CE2 PHE A 228 -10.339 8.898 -0.112 1.00 7.64 C ATOM 1195 CZ PHE A 228 -10.725 8.034 -1.118 1.00 7.67 C ATOM 0 H PHE A 228 -4.200 7.979 0.403 1.00 6.38 H new ATOM 0 HA PHE A 228 -5.922 8.713 -1.690 1.00 6.62 H new ATOM 0 HB2 PHE A 228 -6.290 7.065 0.233 1.00 6.57 H new ATOM 0 HB3 PHE A 228 -6.642 8.451 1.246 1.00 6.57 H new ATOM 0 HD1 PHE A 228 -7.765 6.546 -1.711 1.00 7.04 H new ATOM 0 HD2 PHE A 228 -8.732 9.592 1.101 1.00 7.26 H new ATOM 0 HE1 PHE A 228 -10.095 6.504 -2.472 1.00 7.43 H new ATOM 0 HE2 PHE A 228 -11.063 9.561 0.339 1.00 7.64 H new ATOM 0 HZ PHE A 228 -11.750 8.022 -1.458 1.00 7.67 H new ATOM 1205 N LYS A 229 -5.557 10.953 0.704 1.00 7.38 N ATOM 1206 CA LYS A 229 -5.766 12.355 1.048 1.00 7.96 C ATOM 1207 C LYS A 229 -5.085 13.266 0.034 1.00 8.17 C ATOM 1208 O LYS A 229 -5.649 14.280 -0.378 1.00 8.60 O ATOM 1209 CB LYS A 229 -5.226 12.642 2.450 1.00 8.19 C ATOM 1210 CG LYS A 229 -5.956 11.888 3.544 1.00 8.20 C ATOM 1211 CD LYS A 229 -5.158 11.856 4.836 1.00 8.62 C ATOM 1212 CE LYS A 229 -5.830 10.965 5.871 1.00 8.81 C ATOM 1213 NZ LYS A 229 -4.946 10.693 7.034 1.00 9.36 N1+ ATOM 0 H LYS A 229 -5.013 10.428 1.389 1.00 7.38 H new ATOM 0 HA LYS A 229 -6.837 12.555 1.031 1.00 7.96 H new ATOM 0 HB2 LYS A 229 -4.168 12.382 2.484 1.00 8.19 H new ATOM 0 HB3 LYS A 229 -5.298 13.712 2.647 1.00 8.19 H new ATOM 0 HG2 LYS A 229 -6.923 12.357 3.726 1.00 8.20 H new ATOM 0 HG3 LYS A 229 -6.153 10.868 3.213 1.00 8.20 H new ATOM 0 HD2 LYS A 229 -4.150 11.491 4.636 1.00 8.62 H new ATOM 0 HD3 LYS A 229 -5.058 12.867 5.231 1.00 8.62 H new ATOM 0 HE2 LYS A 229 -6.747 11.441 6.217 1.00 8.81 H new ATOM 0 HE3 LYS A 229 -6.116 10.022 5.406 1.00 8.81 H new ATOM 0 HZ1 LYS A 229 -5.444 10.083 7.713 1.00 9.36 H new ATOM 0 HZ2 LYS A 229 -4.081 10.215 6.709 1.00 9.36 H new ATOM 0 HZ3 LYS A 229 -4.693 11.590 7.495 1.00 9.36 H new ATOM 1227 N ALA A 230 -3.880 12.882 -0.377 1.00 7.94 N ATOM 1228 CA ALA A 230 -3.105 13.655 -1.339 1.00 8.24 C ATOM 1229 C ALA A 230 -3.789 13.708 -2.703 1.00 8.26 C ATOM 1230 O ALA A 230 -3.562 14.633 -3.488 1.00 8.69 O ATOM 1231 CB ALA A 230 -1.705 13.072 -1.471 1.00 8.09 C ATOM 0 H ALA A 230 -3.417 12.032 -0.055 1.00 7.94 H new ATOM 0 HA ALA A 230 -3.035 14.677 -0.967 1.00 8.24 H new ATOM 0 HB1 ALA A 230 -1.134 13.657 -2.192 1.00 8.09 H new ATOM 0 HB2 ALA A 230 -1.206 13.102 -0.503 1.00 8.09 H new ATOM 0 HB3 ALA A 230 -1.772 12.039 -1.813 1.00 8.09 H new ATOM 1603 N ASN B 116 6.926 -17.624 -5.670 1.00 11.51 N ATOM 1604 CA ASN B 116 6.195 -17.932 -4.442 1.00 10.99 C ATOM 1605 C ASN B 116 6.221 -16.745 -3.479 1.00 10.00 C ATOM 1606 O ASN B 116 5.507 -16.723 -2.477 1.00 9.54 O ATOM 1607 CB ASN B 116 6.786 -19.172 -3.763 1.00 11.43 C ATOM 1608 CG ASN B 116 5.870 -19.738 -2.692 1.00 11.80 C ATOM 1609 OD1 ASN B 116 4.938 -20.484 -2.991 1.00 12.04 O ATOM 1610 ND2 ASN B 116 6.137 -19.400 -1.440 1.00 12.05 N ATOM 0 HA ASN B 116 5.158 -18.136 -4.710 1.00 10.99 H new ATOM 0 HB2 ASN B 116 6.978 -19.938 -4.515 1.00 11.43 H new ATOM 0 HB3 ASN B 116 7.747 -18.915 -3.317 1.00 11.43 H new ATOM 0 HD21 ASN B 116 5.560 -19.761 -0.680 1.00 12.05 H new ATOM 0 HD22 ASN B 116 6.920 -18.779 -1.235 1.00 12.05 H new ATOM 1617 N SER B 117 7.038 -15.752 -3.803 1.00 9.85 N ATOM 1618 CA SER B 117 7.173 -14.554 -2.989 1.00 9.09 C ATOM 1619 C SER B 117 5.851 -13.783 -2.908 1.00 8.48 C ATOM 1620 O SER B 117 5.686 -12.915 -2.049 1.00 7.94 O ATOM 1621 CB SER B 117 8.264 -13.671 -3.584 1.00 9.58 C ATOM 1622 OG SER B 117 9.166 -14.453 -4.356 1.00 10.42 O ATOM 0 H SER B 117 7.625 -15.755 -4.637 1.00 9.85 H new ATOM 0 HA SER B 117 7.444 -14.847 -1.975 1.00 9.09 H new ATOM 0 HB2 SER B 117 7.816 -12.898 -4.209 1.00 9.58 H new ATOM 0 HB3 SER B 117 8.805 -13.162 -2.786 1.00 9.58 H new ATOM 0 HG SER B 117 9.860 -13.874 -4.734 1.00 10.42 H new ATOM 1628 N LYS B 118 4.913 -14.116 -3.798 1.00 8.71 N ATOM 1629 CA LYS B 118 3.604 -13.468 -3.823 1.00 8.32 C ATOM 1630 C LYS B 118 2.872 -13.679 -2.501 1.00 7.50 C ATOM 1631 O LYS B 118 2.058 -12.848 -2.090 1.00 7.07 O ATOM 1632 CB LYS B 118 2.764 -14.004 -4.987 1.00 9.09 C ATOM 1633 CG LYS B 118 3.269 -13.565 -6.350 1.00 9.49 C ATOM 1634 CD LYS B 118 3.006 -12.083 -6.589 1.00 10.17 C ATOM 1635 CE LYS B 118 4.047 -11.477 -7.520 1.00 10.68 C ATOM 1636 NZ LYS B 118 3.962 -12.023 -8.903 1.00 11.16 N1+ ATOM 0 H LYS B 118 5.039 -14.833 -4.512 1.00 8.71 H new ATOM 0 HA LYS B 118 3.755 -12.398 -3.965 1.00 8.32 H new ATOM 0 HB2 LYS B 118 2.753 -15.093 -4.946 1.00 9.09 H new ATOM 0 HB3 LYS B 118 1.734 -13.670 -4.865 1.00 9.09 H new ATOM 0 HG2 LYS B 118 4.338 -13.763 -6.425 1.00 9.49 H new ATOM 0 HG3 LYS B 118 2.781 -14.153 -7.127 1.00 9.49 H new ATOM 0 HD2 LYS B 118 2.012 -11.953 -7.018 1.00 10.17 H new ATOM 0 HD3 LYS B 118 3.014 -11.552 -5.637 1.00 10.17 H new ATOM 0 HE2 LYS B 118 3.916 -10.395 -7.551 1.00 10.68 H new ATOM 0 HE3 LYS B 118 5.043 -11.666 -7.119 1.00 10.68 H new ATOM 0 HZ1 LYS B 118 4.691 -11.579 -9.497 1.00 11.16 H new ATOM 0 HZ2 LYS B 118 4.113 -13.052 -8.880 1.00 11.16 H new ATOM 0 HZ3 LYS B 118 3.022 -11.820 -9.299 1.00 11.16 H new ATOM 1650 N GLU B 119 3.175 -14.788 -1.835 1.00 7.48 N ATOM 1651 CA GLU B 119 2.562 -15.093 -0.551 1.00 6.99 C ATOM 1652 C GLU B 119 2.983 -14.049 0.477 1.00 6.13 C ATOM 1653 O GLU B 119 2.167 -13.563 1.254 1.00 5.77 O ATOM 1654 CB GLU B 119 2.966 -16.491 -0.075 1.00 7.65 C ATOM 1655 CG GLU B 119 2.582 -17.600 -1.039 1.00 8.43 C ATOM 1656 CD GLU B 119 2.652 -18.976 -0.408 1.00 9.01 C ATOM 1657 OE1 GLU B 119 3.761 -19.428 -0.065 1.00 9.34 O ATOM 1658 OE2 GLU B 119 1.592 -19.622 -0.254 1.00 9.37 O1- ATOM 0 H GLU B 119 3.840 -15.488 -2.164 1.00 7.48 H new ATOM 0 HA GLU B 119 1.478 -15.072 -0.667 1.00 6.99 H new ATOM 0 HB2 GLU B 119 4.045 -16.514 0.080 1.00 7.65 H new ATOM 0 HB3 GLU B 119 2.500 -16.685 0.891 1.00 7.65 H new ATOM 0 HG2 GLU B 119 1.570 -17.424 -1.404 1.00 8.43 H new ATOM 0 HG3 GLU B 119 3.244 -17.568 -1.905 1.00 8.43 H new ATOM 1665 N TRP B 120 4.261 -13.683 0.438 1.00 6.01 N ATOM 1666 CA TRP B 120 4.814 -12.689 1.354 1.00 5.38 C ATOM 1667 C TRP B 120 4.204 -11.315 1.090 1.00 4.90 C ATOM 1668 O TRP B 120 3.892 -10.574 2.022 1.00 4.43 O ATOM 1669 CB TRP B 120 6.336 -12.614 1.202 1.00 5.80 C ATOM 1670 CG TRP B 120 7.081 -13.500 2.153 1.00 5.98 C ATOM 1671 CD1 TRP B 120 7.776 -13.109 3.260 1.00 6.39 C ATOM 1672 CD2 TRP B 120 7.212 -14.926 2.083 1.00 6.18 C ATOM 1673 NE1 TRP B 120 8.328 -14.198 3.884 1.00 6.78 N ATOM 1674 CE2 TRP B 120 7.995 -15.328 3.180 1.00 6.64 C ATOM 1675 CE3 TRP B 120 6.740 -15.904 1.199 1.00 6.35 C ATOM 1676 CZ2 TRP B 120 8.317 -16.662 3.417 1.00 7.17 C ATOM 1677 CZ3 TRP B 120 7.061 -17.225 1.436 1.00 6.93 C ATOM 1678 CH2 TRP B 120 7.844 -17.594 2.537 1.00 7.28 C ATOM 0 H TRP B 120 4.938 -14.063 -0.223 1.00 6.01 H new ATOM 0 HA TRP B 120 4.570 -12.993 2.372 1.00 5.38 H new ATOM 0 HB2 TRP B 120 6.604 -12.885 0.181 1.00 5.80 H new ATOM 0 HB3 TRP B 120 6.657 -11.583 1.353 1.00 5.80 H new ATOM 0 HD1 TRP B 120 7.877 -12.088 3.597 1.00 6.39 H new ATOM 0 HE1 TRP B 120 8.894 -14.172 4.732 1.00 6.78 H new ATOM 0 HE3 TRP B 120 6.136 -15.629 0.347 1.00 6.35 H new ATOM 0 HZ2 TRP B 120 8.919 -16.950 4.266 1.00 7.17 H new ATOM 0 HZ3 TRP B 120 6.702 -17.988 0.761 1.00 6.93 H new ATOM 0 HH2 TRP B 120 8.079 -18.636 2.694 1.00 7.28 H new ATOM 1689 N THR B 121 4.023 -10.992 -0.182 1.00 5.33 N ATOM 1690 CA THR B 121 3.457 -9.709 -0.578 1.00 5.34 C ATOM 1691 C THR B 121 1.999 -9.586 -0.134 1.00 5.03 C ATOM 1692 O THR B 121 1.511 -8.485 0.122 1.00 5.08 O ATOM 1693 CB THR B 121 3.538 -9.518 -2.104 1.00 6.28 C ATOM 1694 OG1 THR B 121 4.610 -10.311 -2.631 1.00 6.81 O ATOM 1695 CG2 THR B 121 3.761 -8.056 -2.462 1.00 6.77 C ATOM 0 H THR B 121 4.261 -11.604 -0.962 1.00 5.33 H new ATOM 0 HA THR B 121 4.045 -8.934 -0.086 1.00 5.34 H new ATOM 0 HB THR B 121 2.592 -9.837 -2.540 1.00 6.28 H new ATOM 0 HG1 THR B 121 4.660 -10.190 -3.602 1.00 6.81 H new ATOM 0 HG21 THR B 121 3.814 -7.951 -3.546 1.00 6.77 H new ATOM 0 HG22 THR B 121 2.934 -7.458 -2.079 1.00 6.77 H new ATOM 0 HG23 THR B 121 4.695 -7.711 -2.018 1.00 6.77 H new ATOM 1703 N SER B 122 1.323 -10.726 -0.014 1.00 5.01 N ATOM 1704 CA SER B 122 -0.079 -10.760 0.393 1.00 4.99 C ATOM 1705 C SER B 122 -0.265 -10.224 1.812 1.00 4.55 C ATOM 1706 O SER B 122 -1.360 -9.808 2.188 1.00 4.76 O ATOM 1707 CB SER B 122 -0.618 -12.190 0.302 1.00 5.61 C ATOM 1708 OG SER B 122 -0.497 -12.709 -1.015 1.00 6.23 O ATOM 0 H SER B 122 1.727 -11.645 -0.194 1.00 5.01 H new ATOM 0 HA SER B 122 -0.638 -10.116 -0.286 1.00 4.99 H new ATOM 0 HB2 SER B 122 -0.075 -12.830 0.998 1.00 5.61 H new ATOM 0 HB3 SER B 122 -1.665 -12.205 0.606 1.00 5.61 H new ATOM 0 HG SER B 122 0.449 -12.736 -1.270 1.00 6.23 H new ATOM 1714 N LEU B 123 0.809 -10.219 2.594 1.00 4.24 N ATOM 1715 CA LEU B 123 0.747 -9.741 3.971 1.00 4.22 C ATOM 1716 C LEU B 123 0.731 -8.216 4.028 1.00 4.10 C ATOM 1717 O LEU B 123 0.384 -7.627 5.050 1.00 4.50 O ATOM 1718 CB LEU B 123 1.940 -10.275 4.780 1.00 4.40 C ATOM 1719 CG LEU B 123 1.794 -11.700 5.333 1.00 5.14 C ATOM 1720 CD1 LEU B 123 0.416 -11.914 5.939 1.00 5.74 C ATOM 1721 CD2 LEU B 123 2.069 -12.731 4.250 1.00 5.71 C ATOM 0 H LEU B 123 1.731 -10.540 2.299 1.00 4.24 H new ATOM 0 HA LEU B 123 -0.180 -10.113 4.407 1.00 4.22 H new ATOM 0 HB2 LEU B 123 2.827 -10.241 4.147 1.00 4.40 H new ATOM 0 HB3 LEU B 123 2.119 -9.599 5.616 1.00 4.40 H new ATOM 0 HG LEU B 123 2.533 -11.828 6.124 1.00 5.14 H new ATOM 0 HD11 LEU B 123 0.341 -12.932 6.322 1.00 5.74 H new ATOM 0 HD12 LEU B 123 0.263 -11.207 6.754 1.00 5.74 H new ATOM 0 HD13 LEU B 123 -0.346 -11.757 5.175 1.00 5.74 H new ATOM 0 HD21 LEU B 123 1.960 -13.733 4.665 1.00 5.71 H new ATOM 0 HD22 LEU B 123 1.361 -12.598 3.432 1.00 5.71 H new ATOM 0 HD23 LEU B 123 3.084 -12.603 3.875 1.00 5.71 H new