USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=13 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 204 GLN : amide:sc= -1.82! C(o=-0.95!,f=-4.2!) USER MOD Set 1.2: B 117 SER OG : rot -61:sc= 0.875 USER MOD Set 2.1: A 209 THR OG1 : rot -58:sc= 1.28 USER MOD Set 2.2: A 211 GLN : amide:sc= 0.574 K(o=1.9,f=0.9) USER MOD Set 3.1: A 195 THR OG1 : rot -160:sc= 0.921 USER MOD Set 3.2: A 198 GLN : amide:sc= 0.924 X(o=1.8,f=1.6) USER MOD Single : A 171 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 172 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 173 MET CE :methyl -159:sc= -0.174 (180deg=-0.675) USER MOD Single : A 174 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 180 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 181 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 184 GLN : amide:sc=-0.00308 X(o=-0.0031,f=-0.072) USER MOD Single : A 188 ASN : amide:sc= 1.15 K(o=1.1,f=-0.6) USER MOD Single : A 192 ASN : amide:sc= -0.0298 K(o=-0.03,f=-1.3) USER MOD Single : A 194 ASN :FLIP amide:sc= -0.306 F(o=-1.1,f=-0.31) USER MOD Single : A 197 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.38) USER MOD Single : A 200 THR OG1 : rot 78:sc= 0.637 USER MOD Single : A 205 GLN : amide:sc= -1.08 K(o=-1.1,f=-5.4!) USER MOD Single : A 206 LYS NZ :NH3+ 163:sc= -0.0208 (180deg=-0.273) USER MOD Single : A 213 MET CE :methyl -130:sc= -0.758 (180deg=-1.59) USER MOD Single : A 217 LYS NZ :NH3+ -126:sc= 1.15 (180deg=-0.752!) USER MOD Single : A 220 TYR OH : rot 15:sc= 1.27 USER MOD Single : A 221 LYS NZ :NH3+ -134:sc= 0.563 (180deg=0.18) USER MOD Single : A 223 HIS : no HD1:sc= 0.523 K(o=0.52,f=-4.7!) USER MOD Single : A 224 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 225 GLN : amide:sc= -0.17 K(o=-0.17,f=-1.4!) USER MOD Single : A 229 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 116 ASN : amide:sc= -0.181 K(o=-0.18,f=-0.87) USER MOD Single : B 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 121 THR OG1 : rot 180:sc= 0.102 USER MOD Single : B 122 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 200 N LEU A 169 -5.585 2.198 -7.518 1.00 5.81 N ATOM 201 CA LEU A 169 -4.912 2.464 -6.256 1.00 5.44 C ATOM 202 C LEU A 169 -3.878 1.381 -5.990 1.00 5.18 C ATOM 203 O LEU A 169 -2.790 1.647 -5.479 1.00 5.07 O ATOM 204 CB LEU A 169 -5.923 2.526 -5.106 1.00 5.36 C ATOM 205 CG LEU A 169 -7.091 3.492 -5.316 1.00 5.65 C ATOM 206 CD1 LEU A 169 -8.159 3.273 -4.253 1.00 5.76 C ATOM 207 CD2 LEU A 169 -6.602 4.933 -5.292 1.00 5.82 C ATOM 0 HA LEU A 169 -4.412 3.430 -6.321 1.00 5.44 H new ATOM 0 HB2 LEU A 169 -6.325 1.526 -4.942 1.00 5.36 H new ATOM 0 HB3 LEU A 169 -5.396 2.811 -4.195 1.00 5.36 H new ATOM 0 HG LEU A 169 -7.531 3.295 -6.293 1.00 5.65 H new ATOM 0 HD11 LEU A 169 -8.983 3.968 -4.416 1.00 5.76 H new ATOM 0 HD12 LEU A 169 -8.530 2.250 -4.315 1.00 5.76 H new ATOM 0 HD13 LEU A 169 -7.730 3.444 -3.266 1.00 5.76 H new ATOM 0 HD21 LEU A 169 -7.446 5.606 -5.443 1.00 5.82 H new ATOM 0 HD22 LEU A 169 -6.138 5.144 -4.329 1.00 5.82 H new ATOM 0 HD23 LEU A 169 -5.872 5.083 -6.087 1.00 5.82 H new ATOM 219 N VAL A 170 -4.222 0.160 -6.379 1.00 5.20 N ATOM 220 CA VAL A 170 -3.340 -0.981 -6.207 1.00 5.06 C ATOM 221 C VAL A 170 -2.095 -0.825 -7.074 1.00 5.34 C ATOM 222 O VAL A 170 -0.989 -1.193 -6.678 1.00 5.28 O ATOM 223 CB VAL A 170 -4.052 -2.304 -6.573 1.00 5.24 C ATOM 224 CG1 VAL A 170 -3.191 -3.501 -6.191 1.00 5.25 C ATOM 225 CG2 VAL A 170 -5.417 -2.384 -5.905 1.00 5.42 C ATOM 0 H VAL A 170 -5.114 -0.064 -6.819 1.00 5.20 H new ATOM 0 HA VAL A 170 -3.054 -1.018 -5.156 1.00 5.06 H new ATOM 0 HB VAL A 170 -4.202 -2.324 -7.652 1.00 5.24 H new ATOM 0 HG11 VAL A 170 -3.710 -4.422 -6.457 1.00 5.25 H new ATOM 0 HG12 VAL A 170 -2.242 -3.452 -6.725 1.00 5.25 H new ATOM 0 HG13 VAL A 170 -3.004 -3.487 -5.117 1.00 5.25 H new ATOM 0 HG21 VAL A 170 -5.900 -3.323 -6.176 1.00 5.42 H new ATOM 0 HG22 VAL A 170 -5.296 -2.338 -4.823 1.00 5.42 H new ATOM 0 HG23 VAL A 170 -6.034 -1.549 -6.237 1.00 5.42 H new ATOM 235 N ASN A 171 -2.291 -0.252 -8.254 1.00 5.77 N ATOM 236 CA ASN A 171 -1.206 -0.034 -9.206 1.00 6.24 C ATOM 237 C ASN A 171 -0.217 1.002 -8.683 1.00 6.25 C ATOM 238 O ASN A 171 0.967 0.974 -9.020 1.00 6.59 O ATOM 239 CB ASN A 171 -1.770 0.421 -10.558 1.00 6.76 C ATOM 240 CG ASN A 171 -2.650 -0.632 -11.214 1.00 7.31 C ATOM 241 OD1 ASN A 171 -2.449 -1.832 -11.025 1.00 7.47 O ATOM 242 ND2 ASN A 171 -3.631 -0.191 -11.988 1.00 7.80 N ATOM 0 H ASN A 171 -3.201 0.074 -8.579 1.00 5.77 H new ATOM 0 HA ASN A 171 -0.678 -0.979 -9.336 1.00 6.24 H new ATOM 0 HB2 ASN A 171 -2.348 1.334 -10.417 1.00 6.76 H new ATOM 0 HB3 ASN A 171 -0.945 0.666 -11.227 1.00 6.76 H new ATOM 0 HD21 ASN A 171 -4.252 -0.854 -12.452 1.00 7.80 H new ATOM 0 HD22 ASN A 171 -3.765 0.812 -12.120 1.00 7.80 H new ATOM 249 N GLN A 172 -0.706 1.917 -7.856 1.00 6.00 N ATOM 250 CA GLN A 172 0.134 2.967 -7.290 1.00 6.13 C ATOM 251 C GLN A 172 0.898 2.447 -6.082 1.00 5.80 C ATOM 252 O GLN A 172 2.039 2.838 -5.840 1.00 6.06 O ATOM 253 CB GLN A 172 -0.716 4.162 -6.860 1.00 6.13 C ATOM 254 CG GLN A 172 -1.563 4.750 -7.972 1.00 6.58 C ATOM 255 CD GLN A 172 -2.673 5.638 -7.447 1.00 6.95 C ATOM 256 OE1 GLN A 172 -2.533 6.297 -6.415 1.00 7.27 O ATOM 257 NE2 GLN A 172 -3.789 5.652 -8.154 1.00 7.22 N ATOM 0 H GLN A 172 -1.682 1.954 -7.561 1.00 6.00 H new ATOM 0 HA GLN A 172 0.839 3.280 -8.060 1.00 6.13 H new ATOM 0 HB2 GLN A 172 -1.369 3.855 -6.044 1.00 6.13 H new ATOM 0 HB3 GLN A 172 -0.060 4.939 -6.468 1.00 6.13 H new ATOM 0 HG2 GLN A 172 -0.927 5.327 -8.643 1.00 6.58 H new ATOM 0 HG3 GLN A 172 -1.996 3.942 -8.561 1.00 6.58 H new ATOM 0 HE21 GLN A 172 -3.862 5.091 -9.003 1.00 7.22 H new ATOM 0 HE22 GLN A 172 -4.577 6.224 -7.851 1.00 7.22 H new ATOM 266 N MET A 173 0.265 1.544 -5.340 1.00 5.33 N ATOM 267 CA MET A 173 0.855 0.976 -4.133 1.00 5.03 C ATOM 268 C MET A 173 1.848 -0.142 -4.438 1.00 5.21 C ATOM 269 O MET A 173 2.108 -0.992 -3.590 1.00 5.01 O ATOM 270 CB MET A 173 -0.248 0.441 -3.218 1.00 4.54 C ATOM 271 CG MET A 173 -1.044 1.531 -2.523 1.00 4.49 C ATOM 272 SD MET A 173 -0.923 1.437 -0.728 1.00 4.57 S ATOM 273 CE MET A 173 0.805 1.843 -0.480 1.00 4.49 C ATOM 0 H MET A 173 -0.666 1.187 -5.557 1.00 5.33 H new ATOM 0 HA MET A 173 1.404 1.777 -3.637 1.00 5.03 H new ATOM 0 HB2 MET A 173 -0.928 -0.176 -3.805 1.00 4.54 H new ATOM 0 HB3 MET A 173 0.199 -0.207 -2.464 1.00 4.54 H new ATOM 0 HG2 MET A 173 -0.688 2.505 -2.857 1.00 4.49 H new ATOM 0 HG3 MET A 173 -2.091 1.456 -2.818 1.00 4.49 H new ATOM 0 HE1 MET A 173 1.129 1.475 0.494 1.00 4.49 H new ATOM 0 HE2 MET A 173 1.404 1.377 -1.262 1.00 4.49 H new ATOM 0 HE3 MET A 173 0.934 2.925 -0.521 1.00 4.49 H new ATOM 283 N LYS A 174 2.407 -0.142 -5.639 1.00 5.68 N ATOM 284 CA LYS A 174 3.369 -1.168 -6.016 1.00 6.02 C ATOM 285 C LYS A 174 4.795 -0.626 -5.975 1.00 6.49 C ATOM 286 O LYS A 174 5.583 -0.995 -5.106 1.00 6.55 O ATOM 287 CB LYS A 174 3.046 -1.737 -7.401 1.00 6.45 C ATOM 288 CG LYS A 174 1.813 -2.630 -7.414 1.00 6.44 C ATOM 289 CD LYS A 174 2.055 -3.930 -6.661 1.00 6.92 C ATOM 290 CE LYS A 174 0.833 -4.350 -5.860 1.00 7.15 C ATOM 291 NZ LYS A 174 0.964 -5.740 -5.352 1.00 7.76 N1+ ATOM 0 H LYS A 174 2.214 0.550 -6.363 1.00 5.68 H new ATOM 0 HA LYS A 174 3.295 -1.977 -5.289 1.00 6.02 H new ATOM 0 HB2 LYS A 174 2.896 -0.913 -8.099 1.00 6.45 H new ATOM 0 HB3 LYS A 174 3.903 -2.307 -7.760 1.00 6.45 H new ATOM 0 HG2 LYS A 174 0.974 -2.099 -6.964 1.00 6.44 H new ATOM 0 HG3 LYS A 174 1.535 -2.852 -8.444 1.00 6.44 H new ATOM 0 HD2 LYS A 174 2.315 -4.718 -7.368 1.00 6.92 H new ATOM 0 HD3 LYS A 174 2.906 -3.810 -5.991 1.00 6.92 H new ATOM 0 HE2 LYS A 174 0.694 -3.667 -5.022 1.00 7.15 H new ATOM 0 HE3 LYS A 174 -0.057 -4.273 -6.485 1.00 7.15 H new ATOM 0 HZ1 LYS A 174 0.113 -5.993 -4.810 1.00 7.76 H new ATOM 0 HZ2 LYS A 174 1.072 -6.394 -6.154 1.00 7.76 H new ATOM 0 HZ3 LYS A 174 1.799 -5.807 -4.736 1.00 7.76 H new ATOM 305 N VAL A 175 5.126 0.259 -6.901 1.00 6.90 N ATOM 306 CA VAL A 175 6.461 0.828 -6.945 1.00 7.46 C ATOM 307 C VAL A 175 6.458 2.203 -6.300 1.00 7.44 C ATOM 308 O VAL A 175 6.362 3.231 -6.976 1.00 7.78 O ATOM 309 CB VAL A 175 7.005 0.931 -8.384 1.00 8.18 C ATOM 310 CG1 VAL A 175 8.503 1.190 -8.367 1.00 8.62 C ATOM 311 CG2 VAL A 175 6.689 -0.334 -9.170 1.00 8.33 C ATOM 0 H VAL A 175 4.494 0.596 -7.627 1.00 6.90 H new ATOM 0 HA VAL A 175 7.118 0.157 -6.392 1.00 7.46 H new ATOM 0 HB VAL A 175 6.515 1.770 -8.878 1.00 8.18 H new ATOM 0 HG11 VAL A 175 8.872 1.260 -9.390 1.00 8.62 H new ATOM 0 HG12 VAL A 175 8.705 2.125 -7.844 1.00 8.62 H new ATOM 0 HG13 VAL A 175 9.008 0.371 -7.855 1.00 8.62 H new ATOM 0 HG21 VAL A 175 7.081 -0.241 -10.183 1.00 8.33 H new ATOM 0 HG22 VAL A 175 7.150 -1.192 -8.680 1.00 8.33 H new ATOM 0 HG23 VAL A 175 5.609 -0.477 -9.211 1.00 8.33 H new ATOM 321 N ALA A 176 6.549 2.205 -4.984 1.00 7.10 N ATOM 322 CA ALA A 176 6.560 3.436 -4.217 1.00 7.14 C ATOM 323 C ALA A 176 7.480 3.312 -3.006 1.00 7.24 C ATOM 324 O ALA A 176 7.611 2.230 -2.434 1.00 6.92 O ATOM 325 CB ALA A 176 5.147 3.788 -3.781 1.00 6.59 C ATOM 0 H ALA A 176 6.617 1.359 -4.419 1.00 7.10 H new ATOM 0 HA ALA A 176 6.943 4.237 -4.850 1.00 7.14 H new ATOM 0 HB1 ALA A 176 5.164 4.714 -3.206 1.00 6.59 H new ATOM 0 HB2 ALA A 176 4.517 3.919 -4.661 1.00 6.59 H new ATOM 0 HB3 ALA A 176 4.746 2.984 -3.164 1.00 6.59 H new ATOM 331 N PRO A 177 8.180 4.394 -2.645 1.00 7.75 N ATOM 332 CA PRO A 177 9.065 4.410 -1.486 1.00 7.96 C ATOM 333 C PRO A 177 8.337 4.713 -0.181 1.00 7.58 C ATOM 334 O PRO A 177 7.384 5.493 -0.149 1.00 7.42 O ATOM 335 CB PRO A 177 10.050 5.522 -1.832 1.00 8.76 C ATOM 336 CG PRO A 177 9.282 6.477 -2.680 1.00 8.86 C ATOM 337 CD PRO A 177 8.185 5.690 -3.355 1.00 8.23 C ATOM 0 HA PRO A 177 9.529 3.440 -1.311 1.00 7.96 H new ATOM 0 HB2 PRO A 177 10.425 6.009 -0.932 1.00 8.76 H new ATOM 0 HB3 PRO A 177 10.915 5.129 -2.366 1.00 8.76 H new ATOM 0 HG2 PRO A 177 8.863 7.279 -2.073 1.00 8.86 H new ATOM 0 HG3 PRO A 177 9.932 6.944 -3.420 1.00 8.86 H new ATOM 0 HD2 PRO A 177 7.223 6.195 -3.270 1.00 8.23 H new ATOM 0 HD3 PRO A 177 8.384 5.561 -4.419 1.00 8.23 H new ATOM 345 N ILE A 178 8.807 4.092 0.891 1.00 7.53 N ATOM 346 CA ILE A 178 8.236 4.275 2.211 1.00 7.29 C ATOM 347 C ILE A 178 8.545 5.673 2.731 1.00 7.90 C ATOM 348 O ILE A 178 9.702 6.104 2.704 1.00 8.45 O ATOM 349 CB ILE A 178 8.805 3.244 3.210 1.00 7.03 C ATOM 350 CG1 ILE A 178 8.839 1.850 2.588 1.00 6.56 C ATOM 351 CG2 ILE A 178 7.983 3.231 4.493 1.00 6.79 C ATOM 352 CD1 ILE A 178 9.932 0.977 3.157 1.00 6.69 C ATOM 0 H ILE A 178 9.596 3.447 0.867 1.00 7.53 H new ATOM 0 HA ILE A 178 7.158 4.137 2.124 1.00 7.29 H new ATOM 0 HB ILE A 178 9.826 3.537 3.455 1.00 7.03 H new ATOM 0 HG12 ILE A 178 7.876 1.365 2.744 1.00 6.56 H new ATOM 0 HG13 ILE A 178 8.979 1.942 1.511 1.00 6.56 H new ATOM 0 HG21 ILE A 178 8.399 2.498 5.184 1.00 6.79 H new ATOM 0 HG22 ILE A 178 8.009 4.219 4.952 1.00 6.79 H new ATOM 0 HG23 ILE A 178 6.951 2.966 4.261 1.00 6.79 H new ATOM 0 HD11 ILE A 178 9.905 -0.000 2.675 1.00 6.69 H new ATOM 0 HD12 ILE A 178 10.901 1.443 2.977 1.00 6.69 H new ATOM 0 HD13 ILE A 178 9.780 0.857 4.230 1.00 6.69 H new ATOM 364 N PRO A 179 7.518 6.415 3.164 1.00 7.89 N ATOM 365 CA PRO A 179 7.691 7.761 3.712 1.00 8.51 C ATOM 366 C PRO A 179 8.634 7.779 4.909 1.00 8.75 C ATOM 367 O PRO A 179 8.776 6.783 5.620 1.00 8.38 O ATOM 368 CB PRO A 179 6.279 8.156 4.147 1.00 8.36 C ATOM 369 CG PRO A 179 5.385 7.328 3.307 1.00 7.74 C ATOM 370 CD PRO A 179 6.100 6.021 3.116 1.00 7.36 C ATOM 0 HA PRO A 179 8.133 8.441 2.984 1.00 8.51 H new ATOM 0 HB2 PRO A 179 6.121 7.959 5.207 1.00 8.36 H new ATOM 0 HB3 PRO A 179 6.098 9.219 3.990 1.00 8.36 H new ATOM 0 HG2 PRO A 179 4.420 7.179 3.791 1.00 7.74 H new ATOM 0 HG3 PRO A 179 5.190 7.811 2.349 1.00 7.74 H new ATOM 0 HD2 PRO A 179 5.852 5.306 3.900 1.00 7.36 H new ATOM 0 HD3 PRO A 179 5.842 5.554 2.166 1.00 7.36 H new ATOM 378 N LYS A 180 9.246 8.927 5.137 1.00 9.42 N ATOM 379 CA LYS A 180 10.192 9.103 6.236 1.00 9.77 C ATOM 380 C LYS A 180 9.542 8.772 7.577 1.00 9.52 C ATOM 381 O LYS A 180 10.109 8.048 8.395 1.00 9.52 O ATOM 382 CB LYS A 180 10.711 10.540 6.263 1.00 10.55 C ATOM 383 CG LYS A 180 11.341 10.995 4.956 1.00 10.96 C ATOM 384 CD LYS A 180 11.600 12.489 4.965 1.00 11.55 C ATOM 385 CE LYS A 180 12.336 12.941 3.718 1.00 12.03 C ATOM 386 NZ LYS A 180 12.545 14.414 3.709 1.00 12.47 N1+ ATOM 0 H LYS A 180 9.105 9.764 4.571 1.00 9.42 H new ATOM 0 HA LYS A 180 11.025 8.419 6.073 1.00 9.77 H new ATOM 0 HB2 LYS A 180 9.886 11.209 6.509 1.00 10.55 H new ATOM 0 HB3 LYS A 180 11.447 10.635 7.061 1.00 10.55 H new ATOM 0 HG2 LYS A 180 12.278 10.461 4.795 1.00 10.96 H new ATOM 0 HG3 LYS A 180 10.683 10.742 4.124 1.00 10.96 H new ATOM 0 HD2 LYS A 180 10.652 13.022 5.041 1.00 11.55 H new ATOM 0 HD3 LYS A 180 12.184 12.751 5.847 1.00 11.55 H new ATOM 0 HE2 LYS A 180 13.300 12.436 3.661 1.00 12.03 H new ATOM 0 HE3 LYS A 180 11.769 12.648 2.834 1.00 12.03 H new ATOM 0 HZ1 LYS A 180 13.051 14.688 2.842 1.00 12.47 H new ATOM 0 HZ2 LYS A 180 11.624 14.896 3.739 1.00 12.47 H new ATOM 0 HZ3 LYS A 180 13.107 14.690 4.540 1.00 12.47 H new ATOM 400 N GLN A 181 8.340 9.296 7.776 1.00 9.38 N ATOM 401 CA GLN A 181 7.586 9.084 9.010 1.00 9.25 C ATOM 402 C GLN A 181 7.259 7.609 9.228 1.00 8.64 C ATOM 403 O GLN A 181 7.087 7.160 10.363 1.00 8.66 O ATOM 404 CB GLN A 181 6.287 9.889 8.977 1.00 9.25 C ATOM 405 CG GLN A 181 6.471 11.373 9.236 1.00 9.84 C ATOM 406 CD GLN A 181 5.165 12.130 9.129 1.00 9.79 C ATOM 407 OE1 GLN A 181 4.391 12.188 10.086 1.00 9.75 O ATOM 408 NE2 GLN A 181 4.910 12.715 7.970 1.00 9.99 N ATOM 0 H GLN A 181 7.859 9.879 7.091 1.00 9.38 H new ATOM 0 HA GLN A 181 8.212 9.421 9.836 1.00 9.25 H new ATOM 0 HB2 GLN A 181 5.815 9.757 8.003 1.00 9.25 H new ATOM 0 HB3 GLN A 181 5.602 9.483 9.721 1.00 9.25 H new ATOM 0 HG2 GLN A 181 6.895 11.518 10.230 1.00 9.84 H new ATOM 0 HG3 GLN A 181 7.186 11.780 8.522 1.00 9.84 H new ATOM 0 HE21 GLN A 181 5.579 12.642 7.204 1.00 9.99 H new ATOM 0 HE22 GLN A 181 4.044 13.239 7.843 1.00 9.99 H new ATOM 417 N LEU A 182 7.182 6.852 8.143 1.00 8.14 N ATOM 418 CA LEU A 182 6.852 5.439 8.225 1.00 7.55 C ATOM 419 C LEU A 182 8.098 4.569 8.332 1.00 7.61 C ATOM 420 O LEU A 182 8.031 3.442 8.818 1.00 7.33 O ATOM 421 CB LEU A 182 6.006 5.025 7.023 1.00 6.99 C ATOM 422 CG LEU A 182 4.556 5.515 7.061 1.00 6.82 C ATOM 423 CD1 LEU A 182 3.777 4.969 5.880 1.00 6.67 C ATOM 424 CD2 LEU A 182 3.888 5.119 8.369 1.00 6.66 C ATOM 0 H LEU A 182 7.344 7.194 7.196 1.00 8.14 H new ATOM 0 HA LEU A 182 6.274 5.286 9.136 1.00 7.55 H new ATOM 0 HB2 LEU A 182 6.479 5.402 6.116 1.00 6.99 H new ATOM 0 HB3 LEU A 182 6.006 3.937 6.954 1.00 6.99 H new ATOM 0 HG LEU A 182 4.563 6.603 6.996 1.00 6.82 H new ATOM 0 HD11 LEU A 182 2.749 5.328 5.925 1.00 6.67 H new ATOM 0 HD12 LEU A 182 4.239 5.306 4.952 1.00 6.67 H new ATOM 0 HD13 LEU A 182 3.782 3.880 5.913 1.00 6.67 H new ATOM 0 HD21 LEU A 182 2.859 5.477 8.375 1.00 6.66 H new ATOM 0 HD22 LEU A 182 3.895 4.033 8.467 1.00 6.66 H new ATOM 0 HD23 LEU A 182 4.431 5.562 9.204 1.00 6.66 H new ATOM 436 N LEU A 183 9.233 5.089 7.889 1.00 8.04 N ATOM 437 CA LEU A 183 10.487 4.346 7.956 1.00 8.24 C ATOM 438 C LEU A 183 10.911 4.158 9.407 1.00 8.55 C ATOM 439 O LEU A 183 11.565 3.177 9.757 1.00 8.54 O ATOM 440 CB LEU A 183 11.584 5.077 7.181 1.00 8.80 C ATOM 441 CG LEU A 183 11.641 4.762 5.685 1.00 8.62 C ATOM 442 CD1 LEU A 183 12.565 5.735 4.972 1.00 9.31 C ATOM 443 CD2 LEU A 183 12.099 3.327 5.456 1.00 8.25 C ATOM 0 H LEU A 183 9.314 6.020 7.480 1.00 8.04 H new ATOM 0 HA LEU A 183 10.332 3.367 7.503 1.00 8.24 H new ATOM 0 HB2 LEU A 183 11.442 6.150 7.305 1.00 8.80 H new ATOM 0 HB3 LEU A 183 12.548 4.830 7.626 1.00 8.80 H new ATOM 0 HG LEU A 183 10.638 4.872 5.273 1.00 8.62 H new ATOM 0 HD11 LEU A 183 12.594 5.497 3.909 1.00 9.31 H new ATOM 0 HD12 LEU A 183 12.196 6.752 5.106 1.00 9.31 H new ATOM 0 HD13 LEU A 183 13.569 5.655 5.389 1.00 9.31 H new ATOM 0 HD21 LEU A 183 12.133 3.122 4.386 1.00 8.25 H new ATOM 0 HD22 LEU A 183 13.092 3.189 5.884 1.00 8.25 H new ATOM 0 HD23 LEU A 183 11.400 2.641 5.934 1.00 8.25 H new ATOM 455 N GLN A 184 10.498 5.095 10.250 1.00 8.87 N ATOM 456 CA GLN A 184 10.820 5.053 11.670 1.00 9.25 C ATOM 457 C GLN A 184 9.928 4.047 12.392 1.00 8.85 C ATOM 458 O GLN A 184 10.068 3.820 13.594 1.00 9.14 O ATOM 459 CB GLN A 184 10.664 6.447 12.289 1.00 9.76 C ATOM 460 CG GLN A 184 11.384 7.537 11.508 1.00 10.33 C ATOM 461 CD GLN A 184 12.891 7.361 11.508 1.00 10.90 C ATOM 462 OE1 GLN A 184 13.438 6.583 10.723 1.00 11.17 O ATOM 463 NE2 GLN A 184 13.575 8.089 12.376 1.00 11.29 N ATOM 0 H GLN A 184 9.935 5.899 9.972 1.00 8.87 H new ATOM 0 HA GLN A 184 11.856 4.734 11.782 1.00 9.25 H new ATOM 0 HB2 GLN A 184 9.604 6.693 12.350 1.00 9.76 H new ATOM 0 HB3 GLN A 184 11.046 6.428 13.310 1.00 9.76 H new ATOM 0 HG2 GLN A 184 11.023 7.540 10.480 1.00 10.33 H new ATOM 0 HG3 GLN A 184 11.136 8.508 11.936 1.00 10.33 H new ATOM 0 HE21 GLN A 184 13.085 8.721 13.009 1.00 11.29 H new ATOM 0 HE22 GLN A 184 14.592 8.018 12.412 1.00 11.29 H new ATOM 472 N ARG A 185 9.002 3.452 11.652 1.00 8.24 N ATOM 473 CA ARG A 185 8.094 2.469 12.207 1.00 7.89 C ATOM 474 C ARG A 185 8.697 1.070 12.155 1.00 7.66 C ATOM 475 O ARG A 185 8.328 0.205 12.944 1.00 7.54 O ATOM 476 CB ARG A 185 6.774 2.481 11.447 1.00 7.40 C ATOM 477 CG ARG A 185 5.631 3.101 12.225 1.00 7.66 C ATOM 478 CD ARG A 185 5.660 4.619 12.175 1.00 7.53 C ATOM 479 NE ARG A 185 4.443 5.190 12.746 1.00 7.91 N ATOM 480 CZ ARG A 185 4.126 6.483 12.718 1.00 8.28 C ATOM 481 NH1 ARG A 185 4.943 7.362 12.146 1.00 8.35 N1+ ATOM 482 NH2 ARG A 185 2.988 6.894 13.268 1.00 8.81 N ATOM 0 H ARG A 185 8.863 3.638 10.659 1.00 8.24 H new ATOM 0 HA ARG A 185 7.917 2.732 13.250 1.00 7.89 H new ATOM 0 HB2 ARG A 185 6.907 3.029 10.514 1.00 7.40 H new ATOM 0 HB3 ARG A 185 6.508 1.458 11.181 1.00 7.40 H new ATOM 0 HG2 ARG A 185 4.683 2.744 11.822 1.00 7.66 H new ATOM 0 HG3 ARG A 185 5.680 2.772 13.263 1.00 7.66 H new ATOM 0 HD2 ARG A 185 6.528 4.987 12.721 1.00 7.53 H new ATOM 0 HD3 ARG A 185 5.770 4.949 11.142 1.00 7.53 H new ATOM 0 HE ARG A 185 3.789 4.552 13.199 1.00 7.91 H new ATOM 0 HH11 ARG A 185 5.817 7.047 11.726 1.00 8.35 H new ATOM 0 HH12 ARG A 185 4.695 8.351 12.127 1.00 8.35 H new ATOM 0 HH21 ARG A 185 2.362 6.220 13.709 1.00 8.81 H new ATOM 0 HH22 ARG A 185 2.741 7.883 13.249 1.00 8.81 H new ATOM 496 N ILE A 186 9.634 0.857 11.241 1.00 7.69 N ATOM 497 CA ILE A 186 10.262 -0.450 11.090 1.00 7.57 C ATOM 498 C ILE A 186 11.687 -0.442 11.647 1.00 8.20 C ATOM 499 O ILE A 186 12.610 0.070 11.014 1.00 8.43 O ATOM 500 CB ILE A 186 10.283 -0.895 9.608 1.00 7.11 C ATOM 501 CG1 ILE A 186 8.866 -0.844 9.023 1.00 6.84 C ATOM 502 CG2 ILE A 186 10.859 -2.300 9.477 1.00 6.83 C ATOM 503 CD1 ILE A 186 8.802 -1.148 7.538 1.00 6.52 C ATOM 0 H ILE A 186 9.975 1.569 10.595 1.00 7.69 H new ATOM 0 HA ILE A 186 9.665 -1.163 11.659 1.00 7.57 H new ATOM 0 HB ILE A 186 10.921 -0.210 9.049 1.00 7.11 H new ATOM 0 HG12 ILE A 186 8.237 -1.557 9.557 1.00 6.84 H new ATOM 0 HG13 ILE A 186 8.446 0.146 9.199 1.00 6.84 H new ATOM 0 HG21 ILE A 186 10.865 -2.594 8.428 1.00 6.83 H new ATOM 0 HG22 ILE A 186 11.878 -2.313 9.863 1.00 6.83 H new ATOM 0 HG23 ILE A 186 10.246 -2.999 10.046 1.00 6.83 H new ATOM 0 HD11 ILE A 186 7.767 -1.092 7.199 1.00 6.52 H new ATOM 0 HD12 ILE A 186 9.402 -0.421 6.992 1.00 6.52 H new ATOM 0 HD13 ILE A 186 9.190 -2.150 7.355 1.00 6.52 H new ATOM 515 N PRO A 187 11.870 -0.985 12.862 1.00 8.55 N ATOM 516 CA PRO A 187 13.162 -1.065 13.520 1.00 9.18 C ATOM 517 C PRO A 187 13.817 -2.438 13.329 1.00 9.19 C ATOM 518 O PRO A 187 13.492 -3.158 12.386 1.00 8.73 O ATOM 519 CB PRO A 187 12.765 -0.851 14.982 1.00 9.56 C ATOM 520 CG PRO A 187 11.401 -1.453 15.115 1.00 9.11 C ATOM 521 CD PRO A 187 10.818 -1.554 13.723 1.00 8.45 C ATOM 0 HA PRO A 187 13.894 -0.354 13.137 1.00 9.18 H new ATOM 0 HB2 PRO A 187 13.474 -1.331 15.656 1.00 9.56 H new ATOM 0 HB3 PRO A 187 12.753 0.209 15.235 1.00 9.56 H new ATOM 0 HG2 PRO A 187 11.459 -2.437 15.580 1.00 9.11 H new ATOM 0 HG3 PRO A 187 10.769 -0.836 15.753 1.00 9.11 H new ATOM 0 HD2 PRO A 187 10.597 -2.587 13.455 1.00 8.45 H new ATOM 0 HD3 PRO A 187 9.885 -0.996 13.638 1.00 8.45 H new ATOM 529 N ASN A 188 14.765 -2.753 14.214 1.00 9.77 N ATOM 530 CA ASN A 188 15.481 -4.041 14.236 1.00 9.94 C ATOM 531 C ASN A 188 16.460 -4.231 13.080 1.00 9.83 C ATOM 532 O ASN A 188 17.415 -4.996 13.209 1.00 9.99 O ATOM 533 CB ASN A 188 14.486 -5.209 14.212 1.00 9.66 C ATOM 534 CG ASN A 188 13.719 -5.387 15.505 1.00 9.91 C ATOM 535 OD1 ASN A 188 14.243 -5.144 16.594 1.00 10.35 O ATOM 536 ND2 ASN A 188 12.475 -5.819 15.394 1.00 9.83 N ATOM 0 H ASN A 188 15.065 -2.113 14.950 1.00 9.77 H new ATOM 0 HA ASN A 188 16.059 -4.027 15.160 1.00 9.94 H new ATOM 0 HB2 ASN A 188 13.777 -5.053 13.399 1.00 9.66 H new ATOM 0 HB3 ASN A 188 15.026 -6.130 13.992 1.00 9.66 H new ATOM 0 HD21 ASN A 188 11.909 -5.964 16.230 1.00 9.83 H new ATOM 0 HD22 ASN A 188 12.081 -6.008 14.472 1.00 9.83 H new ATOM 543 N ILE A 189 16.264 -3.529 11.977 1.00 9.66 N ATOM 544 CA ILE A 189 17.143 -3.673 10.824 1.00 9.64 C ATOM 545 C ILE A 189 17.204 -2.404 10.001 1.00 9.96 C ATOM 546 O ILE A 189 16.248 -1.625 9.976 1.00 9.97 O ATOM 547 CB ILE A 189 16.664 -4.803 9.882 1.00 9.24 C ATOM 548 CG1 ILE A 189 15.133 -4.802 9.787 1.00 9.23 C ATOM 549 CG2 ILE A 189 17.190 -6.162 10.334 1.00 9.06 C ATOM 550 CD1 ILE A 189 14.583 -5.655 8.663 1.00 9.09 C ATOM 0 H ILE A 189 15.508 -2.856 11.853 1.00 9.66 H new ATOM 0 HA ILE A 189 18.127 -3.906 11.231 1.00 9.64 H new ATOM 0 HB ILE A 189 17.069 -4.615 8.888 1.00 9.24 H new ATOM 0 HG12 ILE A 189 14.721 -5.155 10.732 1.00 9.23 H new ATOM 0 HG13 ILE A 189 14.789 -3.777 9.653 1.00 9.23 H new ATOM 0 HG21 ILE A 189 16.836 -6.935 9.652 1.00 9.06 H new ATOM 0 HG22 ILE A 189 18.280 -6.149 10.333 1.00 9.06 H new ATOM 0 HG23 ILE A 189 16.831 -6.375 11.341 1.00 9.06 H new ATOM 0 HD11 ILE A 189 13.494 -5.601 8.664 1.00 9.09 H new ATOM 0 HD12 ILE A 189 14.964 -5.290 7.709 1.00 9.09 H new ATOM 0 HD13 ILE A 189 14.895 -6.690 8.806 1.00 9.09 H new ATOM 562 N PRO A 190 18.340 -2.173 9.326 1.00 10.38 N ATOM 563 CA PRO A 190 18.506 -1.028 8.449 1.00 10.85 C ATOM 564 C PRO A 190 17.906 -1.326 7.083 1.00 10.73 C ATOM 565 O PRO A 190 18.267 -2.316 6.449 1.00 11.03 O ATOM 566 CB PRO A 190 20.020 -0.879 8.344 1.00 11.43 C ATOM 567 CG PRO A 190 20.560 -2.254 8.533 1.00 11.22 C ATOM 568 CD PRO A 190 19.561 -3.002 9.384 1.00 10.57 C ATOM 0 HA PRO A 190 18.014 -0.128 8.817 1.00 10.85 H new ATOM 0 HB2 PRO A 190 20.310 -0.472 7.375 1.00 11.43 H new ATOM 0 HB3 PRO A 190 20.403 -0.197 9.104 1.00 11.43 H new ATOM 0 HG2 PRO A 190 20.698 -2.750 7.573 1.00 11.22 H new ATOM 0 HG3 PRO A 190 21.535 -2.223 9.019 1.00 11.22 H new ATOM 0 HD2 PRO A 190 19.380 -4.005 8.997 1.00 10.57 H new ATOM 0 HD3 PRO A 190 19.917 -3.115 10.408 1.00 10.57 H new ATOM 576 N PRO A 191 16.966 -0.499 6.621 1.00 10.37 N ATOM 577 CA PRO A 191 16.312 -0.708 5.325 1.00 10.30 C ATOM 578 C PRO A 191 17.287 -0.657 4.135 1.00 10.68 C ATOM 579 O PRO A 191 17.275 -1.543 3.280 1.00 10.94 O ATOM 580 CB PRO A 191 15.283 0.430 5.257 1.00 9.89 C ATOM 581 CG PRO A 191 15.752 1.451 6.234 1.00 9.82 C ATOM 582 CD PRO A 191 16.455 0.691 7.322 1.00 10.13 C ATOM 0 HA PRO A 191 15.869 -1.701 5.253 1.00 10.30 H new ATOM 0 HB2 PRO A 191 15.225 0.847 4.252 1.00 9.89 H new ATOM 0 HB3 PRO A 191 14.285 0.072 5.512 1.00 9.89 H new ATOM 0 HG2 PRO A 191 16.425 2.165 5.759 1.00 9.82 H new ATOM 0 HG3 PRO A 191 14.914 2.021 6.635 1.00 9.82 H new ATOM 0 HD2 PRO A 191 17.261 1.275 7.765 1.00 10.13 H new ATOM 0 HD3 PRO A 191 15.775 0.422 8.130 1.00 10.13 H new ATOM 590 N ASN A 192 18.136 0.377 4.106 1.00 10.83 N ATOM 591 CA ASN A 192 19.131 0.586 3.036 1.00 11.33 C ATOM 592 C ASN A 192 18.473 0.902 1.698 1.00 11.24 C ATOM 593 O ASN A 192 19.133 0.935 0.657 1.00 11.75 O ATOM 594 CB ASN A 192 20.051 -0.636 2.884 1.00 11.90 C ATOM 595 CG ASN A 192 21.133 -0.679 3.950 1.00 12.46 C ATOM 596 OD1 ASN A 192 21.013 -0.049 5.002 1.00 12.68 O ATOM 597 ND2 ASN A 192 22.194 -1.428 3.694 1.00 12.84 N ATOM 0 H ASN A 192 18.156 1.099 4.826 1.00 10.83 H new ATOM 0 HA ASN A 192 19.730 1.447 3.333 1.00 11.33 H new ATOM 0 HB2 ASN A 192 19.454 -1.546 2.938 1.00 11.90 H new ATOM 0 HB3 ASN A 192 20.516 -0.618 1.898 1.00 11.90 H new ATOM 0 HD21 ASN A 192 22.947 -1.497 4.379 1.00 12.84 H new ATOM 0 HD22 ASN A 192 22.259 -1.936 2.812 1.00 12.84 H new ATOM 604 N ILE A 193 17.180 1.198 1.743 1.00 10.63 N ATOM 605 CA ILE A 193 16.418 1.538 0.551 1.00 10.51 C ATOM 606 C ILE A 193 15.141 2.258 0.926 1.00 9.90 C ATOM 607 O ILE A 193 14.893 2.533 2.107 1.00 9.52 O ATOM 608 CB ILE A 193 16.073 0.311 -0.322 1.00 10.37 C ATOM 609 CG1 ILE A 193 16.094 -0.986 0.487 1.00 10.58 C ATOM 610 CG2 ILE A 193 17.035 0.223 -1.495 1.00 10.81 C ATOM 611 CD1 ILE A 193 14.839 -1.227 1.295 1.00 10.26 C ATOM 0 H ILE A 193 16.633 1.209 2.604 1.00 10.63 H new ATOM 0 HA ILE A 193 17.060 2.190 -0.042 1.00 10.51 H new ATOM 0 HB ILE A 193 15.058 0.442 -0.698 1.00 10.37 H new ATOM 0 HG12 ILE A 193 16.242 -1.824 -0.194 1.00 10.58 H new ATOM 0 HG13 ILE A 193 16.950 -0.968 1.161 1.00 10.58 H new ATOM 0 HG21 ILE A 193 16.785 -0.645 -2.106 1.00 10.81 H new ATOM 0 HG22 ILE A 193 16.956 1.127 -2.099 1.00 10.81 H new ATOM 0 HG23 ILE A 193 18.055 0.123 -1.123 1.00 10.81 H new ATOM 0 HD11 ILE A 193 14.932 -2.166 1.840 1.00 10.26 H new ATOM 0 HD12 ILE A 193 14.699 -0.409 2.002 1.00 10.26 H new ATOM 0 HD13 ILE A 193 13.980 -1.279 0.626 1.00 10.26 H new ATOM 623 N ASN A 194 14.327 2.554 -0.071 1.00 9.87 N ATOM 624 CA ASN A 194 13.087 3.270 0.167 1.00 9.35 C ATOM 625 C ASN A 194 11.913 2.661 -0.596 1.00 8.86 C ATOM 626 O ASN A 194 10.815 2.553 -0.057 1.00 8.57 O ATOM 627 CB ASN A 194 13.256 4.741 -0.226 1.00 9.78 C ATOM 628 CG ASN A 194 13.705 5.617 0.931 1.00 10.10 C ATOM 629 OD1 ASN A 194 12.752 6.208 1.635 1.00 10.43 O flip ATOM 630 ND2 ASN A 194 14.900 5.776 1.179 1.00 10.17 N flip ATOM 0 H ASN A 194 14.500 2.312 -1.047 1.00 9.87 H new ATOM 0 HA ASN A 194 12.861 3.191 1.230 1.00 9.35 H new ATOM 0 HB2 ASN A 194 13.984 4.814 -1.034 1.00 9.78 H new ATOM 0 HB3 ASN A 194 12.310 5.118 -0.614 1.00 9.78 H new ATOM 0 HD21 ASN A 194 15.605 5.303 0.614 1.00 10.17 H new ATOM 0 HD22 ASN A 194 15.185 6.380 1.950 1.00 10.17 H new ATOM 637 N THR A 195 12.147 2.237 -1.834 1.00 8.88 N ATOM 638 CA THR A 195 11.081 1.679 -2.662 1.00 8.49 C ATOM 639 C THR A 195 10.667 0.287 -2.188 1.00 7.92 C ATOM 640 O THR A 195 11.520 -0.555 -1.931 1.00 8.08 O ATOM 641 CB THR A 195 11.542 1.600 -4.128 1.00 9.05 C ATOM 642 OG1 THR A 195 12.744 2.365 -4.300 1.00 9.80 O ATOM 643 CG2 THR A 195 10.471 2.129 -5.063 1.00 8.98 C ATOM 0 H THR A 195 13.061 2.268 -2.285 1.00 8.88 H new ATOM 0 HA THR A 195 10.218 2.339 -2.576 1.00 8.49 H new ATOM 0 HB THR A 195 11.730 0.554 -4.371 1.00 9.05 H new ATOM 0 HG1 THR A 195 12.862 2.580 -5.249 1.00 9.80 H new ATOM 0 HG21 THR A 195 10.822 2.062 -6.093 1.00 8.98 H new ATOM 0 HG22 THR A 195 9.564 1.536 -4.949 1.00 8.98 H new ATOM 0 HG23 THR A 195 10.257 3.170 -4.819 1.00 8.98 H new ATOM 651 N TRP A 196 9.348 0.054 -2.123 1.00 7.29 N ATOM 652 CA TRP A 196 8.789 -1.228 -1.669 1.00 6.73 C ATOM 653 C TRP A 196 9.345 -2.410 -2.464 1.00 7.00 C ATOM 654 O TRP A 196 9.615 -3.473 -1.903 1.00 6.84 O ATOM 655 CB TRP A 196 7.261 -1.206 -1.762 1.00 6.14 C ATOM 656 CG TRP A 196 6.590 -0.508 -0.615 1.00 5.65 C ATOM 657 CD1 TRP A 196 5.847 0.635 -0.677 1.00 5.54 C ATOM 658 CD2 TRP A 196 6.589 -0.911 0.760 1.00 5.33 C ATOM 659 NE1 TRP A 196 5.390 0.974 0.572 1.00 5.20 N ATOM 660 CE2 TRP A 196 5.830 0.040 1.474 1.00 5.06 C ATOM 661 CE3 TRP A 196 7.155 -1.981 1.460 1.00 5.33 C ATOM 662 CZ2 TRP A 196 5.625 -0.047 2.847 1.00 4.84 C ATOM 663 CZ3 TRP A 196 6.950 -2.068 2.825 1.00 5.05 C ATOM 664 CH2 TRP A 196 6.190 -1.105 3.506 1.00 4.82 C ATOM 0 H TRP A 196 8.643 0.744 -2.382 1.00 7.29 H new ATOM 0 HA TRP A 196 9.086 -1.360 -0.629 1.00 6.73 H new ATOM 0 HB2 TRP A 196 6.971 -0.717 -2.692 1.00 6.14 H new ATOM 0 HB3 TRP A 196 6.895 -2.232 -1.814 1.00 6.14 H new ATOM 0 HD1 TRP A 196 5.647 1.193 -1.580 1.00 5.54 H new ATOM 0 HE1 TRP A 196 4.817 1.788 0.793 1.00 5.20 H new ATOM 0 HE3 TRP A 196 7.742 -2.726 0.944 1.00 5.33 H new ATOM 0 HZ2 TRP A 196 5.041 0.693 3.374 1.00 4.84 H new ATOM 0 HZ3 TRP A 196 7.382 -2.891 3.376 1.00 5.05 H new ATOM 0 HH2 TRP A 196 6.048 -1.201 4.572 1.00 4.82 H new ATOM 675 N GLN A 197 9.522 -2.213 -3.766 1.00 7.47 N ATOM 676 CA GLN A 197 10.061 -3.253 -4.634 1.00 7.85 C ATOM 677 C GLN A 197 11.481 -3.613 -4.209 1.00 8.27 C ATOM 678 O GLN A 197 11.947 -4.729 -4.426 1.00 8.37 O ATOM 679 CB GLN A 197 10.053 -2.786 -6.089 1.00 8.38 C ATOM 680 CG GLN A 197 8.683 -2.842 -6.748 1.00 8.33 C ATOM 681 CD GLN A 197 8.182 -4.262 -6.942 1.00 8.43 C ATOM 682 OE1 GLN A 197 7.374 -4.765 -6.165 1.00 8.59 O ATOM 683 NE2 GLN A 197 8.670 -4.923 -7.977 1.00 8.60 N ATOM 0 H GLN A 197 9.299 -1.340 -4.244 1.00 7.47 H new ATOM 0 HA GLN A 197 9.432 -4.139 -4.546 1.00 7.85 H new ATOM 0 HB2 GLN A 197 10.425 -1.762 -6.134 1.00 8.38 H new ATOM 0 HB3 GLN A 197 10.746 -3.402 -6.662 1.00 8.38 H new ATOM 0 HG2 GLN A 197 7.968 -2.289 -6.138 1.00 8.33 H new ATOM 0 HG3 GLN A 197 8.729 -2.342 -7.716 1.00 8.33 H new ATOM 0 HE21 GLN A 197 9.339 -4.472 -8.601 1.00 8.60 H new ATOM 0 HE22 GLN A 197 8.377 -5.884 -8.152 1.00 8.60 H new ATOM 692 N GLN A 198 12.179 -2.640 -3.642 1.00 8.57 N ATOM 693 CA GLN A 198 13.536 -2.848 -3.163 1.00 9.03 C ATOM 694 C GLN A 198 13.524 -3.317 -1.704 1.00 8.61 C ATOM 695 O GLN A 198 14.463 -3.955 -1.242 1.00 8.82 O ATOM 696 CB GLN A 198 14.359 -1.569 -3.307 1.00 9.66 C ATOM 697 CG GLN A 198 14.591 -1.154 -4.753 1.00 10.19 C ATOM 698 CD GLN A 198 15.668 -0.096 -4.882 1.00 10.85 C ATOM 699 OE1 GLN A 198 16.847 -0.410 -5.030 1.00 11.11 O ATOM 700 NE2 GLN A 198 15.273 1.165 -4.828 1.00 11.29 N ATOM 0 H GLN A 198 11.825 -1.694 -3.502 1.00 8.57 H new ATOM 0 HA GLN A 198 13.999 -3.625 -3.771 1.00 9.03 H new ATOM 0 HB2 GLN A 198 13.852 -0.759 -2.782 1.00 9.66 H new ATOM 0 HB3 GLN A 198 15.323 -1.710 -2.819 1.00 9.66 H new ATOM 0 HG2 GLN A 198 14.872 -2.029 -5.339 1.00 10.19 H new ATOM 0 HG3 GLN A 198 13.660 -0.775 -5.174 1.00 10.19 H new ATOM 0 HE21 GLN A 198 14.285 1.385 -4.704 1.00 11.29 H new ATOM 0 HE22 GLN A 198 15.957 1.918 -4.910 1.00 11.29 H new ATOM 709 N VAL A 199 12.446 -2.997 -0.991 1.00 8.07 N ATOM 710 CA VAL A 199 12.303 -3.376 0.415 1.00 7.70 C ATOM 711 C VAL A 199 12.268 -4.898 0.558 1.00 7.32 C ATOM 712 O VAL A 199 12.659 -5.455 1.582 1.00 7.31 O ATOM 713 CB VAL A 199 11.032 -2.747 1.041 1.00 7.25 C ATOM 714 CG1 VAL A 199 10.900 -3.130 2.506 1.00 7.19 C ATOM 715 CG2 VAL A 199 11.050 -1.229 0.896 1.00 7.41 C ATOM 0 H VAL A 199 11.655 -2.474 -1.365 1.00 8.07 H new ATOM 0 HA VAL A 199 13.169 -2.992 0.954 1.00 7.70 H new ATOM 0 HB VAL A 199 10.169 -3.138 0.502 1.00 7.25 H new ATOM 0 HG11 VAL A 199 10.000 -2.676 2.921 1.00 7.19 H new ATOM 0 HG12 VAL A 199 10.833 -4.214 2.594 1.00 7.19 H new ATOM 0 HG13 VAL A 199 11.772 -2.775 3.055 1.00 7.19 H new ATOM 0 HG21 VAL A 199 10.148 -0.810 1.343 1.00 7.41 H new ATOM 0 HG22 VAL A 199 11.927 -0.825 1.402 1.00 7.41 H new ATOM 0 HG23 VAL A 199 11.088 -0.965 -0.161 1.00 7.41 H new ATOM 725 N THR A 200 11.835 -5.567 -0.495 1.00 7.10 N ATOM 726 CA THR A 200 11.760 -7.015 -0.511 1.00 6.83 C ATOM 727 C THR A 200 13.154 -7.641 -0.552 1.00 7.39 C ATOM 728 O THR A 200 13.328 -8.813 -0.225 1.00 7.30 O ATOM 729 CB THR A 200 10.938 -7.492 -1.718 1.00 6.60 C ATOM 730 OG1 THR A 200 10.561 -6.358 -2.509 1.00 6.76 O ATOM 731 CG2 THR A 200 9.691 -8.228 -1.260 1.00 6.11 C ATOM 0 H THR A 200 11.527 -5.123 -1.360 1.00 7.10 H new ATOM 0 HA THR A 200 11.269 -7.334 0.408 1.00 6.83 H new ATOM 0 HB THR A 200 11.546 -8.175 -2.311 1.00 6.60 H new ATOM 0 HG1 THR A 200 11.323 -6.071 -3.054 1.00 6.76 H new ATOM 0 HG21 THR A 200 9.123 -8.557 -2.130 1.00 6.11 H new ATOM 0 HG22 THR A 200 9.978 -9.095 -0.665 1.00 6.11 H new ATOM 0 HG23 THR A 200 9.076 -7.561 -0.656 1.00 6.11 H new ATOM 739 N ALA A 201 14.150 -6.849 -0.947 1.00 8.02 N ATOM 740 CA ALA A 201 15.524 -7.333 -1.044 1.00 8.63 C ATOM 741 C ALA A 201 16.077 -7.779 0.312 1.00 8.64 C ATOM 742 O ALA A 201 16.751 -8.805 0.401 1.00 8.93 O ATOM 743 CB ALA A 201 16.424 -6.273 -1.658 1.00 9.32 C ATOM 0 H ALA A 201 14.030 -5.869 -1.205 1.00 8.02 H new ATOM 0 HA ALA A 201 15.510 -8.208 -1.694 1.00 8.63 H new ATOM 0 HB1 ALA A 201 17.443 -6.654 -1.721 1.00 9.32 H new ATOM 0 HB2 ALA A 201 16.066 -6.026 -2.658 1.00 9.32 H new ATOM 0 HB3 ALA A 201 16.409 -5.378 -1.036 1.00 9.32 H new ATOM 749 N LEU A 202 15.780 -7.027 1.373 1.00 8.38 N ATOM 750 CA LEU A 202 16.267 -7.383 2.705 1.00 8.45 C ATOM 751 C LEU A 202 15.616 -8.678 3.180 1.00 8.04 C ATOM 752 O LEU A 202 16.137 -9.368 4.063 1.00 8.27 O ATOM 753 CB LEU A 202 16.034 -6.243 3.712 1.00 8.32 C ATOM 754 CG LEU A 202 14.612 -5.679 3.791 1.00 8.50 C ATOM 755 CD1 LEU A 202 13.778 -6.448 4.803 1.00 8.35 C ATOM 756 CD2 LEU A 202 14.654 -4.202 4.149 1.00 9.03 C ATOM 0 H LEU A 202 15.213 -6.180 1.337 1.00 8.38 H new ATOM 0 HA LEU A 202 17.343 -7.543 2.640 1.00 8.45 H new ATOM 0 HB2 LEU A 202 16.314 -6.601 4.703 1.00 8.32 H new ATOM 0 HB3 LEU A 202 16.712 -5.426 3.465 1.00 8.32 H new ATOM 0 HG LEU A 202 14.143 -5.791 2.813 1.00 8.50 H new ATOM 0 HD11 LEU A 202 12.773 -6.028 4.840 1.00 8.35 H new ATOM 0 HD12 LEU A 202 13.723 -7.496 4.508 1.00 8.35 H new ATOM 0 HD13 LEU A 202 14.240 -6.372 5.788 1.00 8.35 H new ATOM 0 HD21 LEU A 202 13.638 -3.812 4.202 1.00 9.03 H new ATOM 0 HD22 LEU A 202 15.143 -4.076 5.115 1.00 9.03 H new ATOM 0 HD23 LEU A 202 15.212 -3.659 3.386 1.00 9.03 H new ATOM 768 N ALA A 203 14.482 -9.012 2.582 1.00 7.51 N ATOM 769 CA ALA A 203 13.778 -10.234 2.921 1.00 7.19 C ATOM 770 C ALA A 203 14.473 -11.419 2.262 1.00 7.64 C ATOM 771 O ALA A 203 14.396 -12.548 2.746 1.00 7.71 O ATOM 772 CB ALA A 203 12.317 -10.147 2.510 1.00 6.60 C ATOM 0 H ALA A 203 14.031 -8.451 1.859 1.00 7.51 H new ATOM 0 HA ALA A 203 13.801 -10.375 4.002 1.00 7.19 H new ATOM 0 HB1 ALA A 203 11.809 -11.075 2.774 1.00 6.60 H new ATOM 0 HB2 ALA A 203 11.842 -9.313 3.028 1.00 6.60 H new ATOM 0 HB3 ALA A 203 12.251 -9.991 1.433 1.00 6.60 H new ATOM 778 N GLN A 204 15.158 -11.146 1.153 1.00 8.03 N ATOM 779 CA GLN A 204 15.915 -12.167 0.436 1.00 8.56 C ATOM 780 C GLN A 204 17.176 -12.486 1.228 1.00 9.11 C ATOM 781 O GLN A 204 17.683 -13.609 1.215 1.00 9.51 O ATOM 782 CB GLN A 204 16.301 -11.669 -0.959 1.00 8.89 C ATOM 783 CG GLN A 204 15.203 -11.805 -2.000 1.00 8.56 C ATOM 784 CD GLN A 204 15.412 -10.867 -3.175 1.00 8.93 C ATOM 785 OE1 GLN A 204 15.869 -9.738 -3.010 1.00 9.22 O ATOM 786 NE2 GLN A 204 15.103 -11.329 -4.376 1.00 9.16 N ATOM 0 H GLN A 204 15.203 -10.219 0.730 1.00 8.03 H new ATOM 0 HA GLN A 204 15.300 -13.060 0.326 1.00 8.56 H new ATOM 0 HB2 GLN A 204 16.591 -10.621 -0.890 1.00 8.89 H new ATOM 0 HB3 GLN A 204 17.177 -12.221 -1.299 1.00 8.89 H new ATOM 0 HG2 GLN A 204 15.170 -12.834 -2.359 1.00 8.56 H new ATOM 0 HG3 GLN A 204 14.238 -11.597 -1.538 1.00 8.56 H new ATOM 0 HE21 GLN A 204 14.726 -12.271 -4.478 1.00 9.16 H new ATOM 0 HE22 GLN A 204 15.242 -10.743 -5.199 1.00 9.16 H new ATOM 795 N GLN A 205 17.667 -11.468 1.928 1.00 9.17 N ATOM 796 CA GLN A 205 18.854 -11.592 2.760 1.00 9.72 C ATOM 797 C GLN A 205 18.488 -12.235 4.093 1.00 9.52 C ATOM 798 O GLN A 205 19.356 -12.522 4.919 1.00 9.93 O ATOM 799 CB GLN A 205 19.481 -10.219 3.001 1.00 10.00 C ATOM 800 CG GLN A 205 19.749 -9.433 1.728 1.00 10.36 C ATOM 801 CD GLN A 205 20.252 -8.031 2.014 1.00 10.95 C ATOM 802 OE1 GLN A 205 19.468 -7.098 2.184 1.00 11.13 O ATOM 803 NE2 GLN A 205 21.562 -7.877 2.076 1.00 11.44 N ATOM 0 H GLN A 205 17.252 -10.536 1.933 1.00 9.17 H new ATOM 0 HA GLN A 205 19.578 -12.222 2.244 1.00 9.72 H new ATOM 0 HB2 GLN A 205 18.821 -9.637 3.644 1.00 10.00 H new ATOM 0 HB3 GLN A 205 20.419 -10.348 3.541 1.00 10.00 H new ATOM 0 HG2 GLN A 205 20.484 -9.964 1.123 1.00 10.36 H new ATOM 0 HG3 GLN A 205 18.833 -9.375 1.139 1.00 10.36 H new ATOM 0 HE21 GLN A 205 22.177 -8.677 1.929 1.00 11.44 H new ATOM 0 HE22 GLN A 205 21.959 -6.958 2.271 1.00 11.44 H new ATOM 812 N LYS A 206 17.185 -12.439 4.287 1.00 8.93 N ATOM 813 CA LYS A 206 16.638 -13.051 5.497 1.00 8.75 C ATOM 814 C LYS A 206 16.919 -12.206 6.737 1.00 8.72 C ATOM 815 O LYS A 206 17.290 -12.730 7.793 1.00 8.89 O ATOM 816 CB LYS A 206 17.188 -14.469 5.683 1.00 9.26 C ATOM 817 CG LYS A 206 16.837 -15.416 4.547 1.00 9.36 C ATOM 818 CD LYS A 206 15.333 -15.548 4.372 1.00 9.64 C ATOM 819 CE LYS A 206 14.984 -16.611 3.344 1.00 9.95 C ATOM 820 NZ LYS A 206 15.391 -17.969 3.790 1.00 10.29 N1+ ATOM 0 H LYS A 206 16.474 -12.182 3.603 1.00 8.93 H new ATOM 0 HA LYS A 206 15.557 -13.106 5.372 1.00 8.75 H new ATOM 0 HB2 LYS A 206 18.273 -14.418 5.780 1.00 9.26 H new ATOM 0 HB3 LYS A 206 16.803 -14.878 6.617 1.00 9.26 H new ATOM 0 HG2 LYS A 206 17.281 -15.053 3.620 1.00 9.36 H new ATOM 0 HG3 LYS A 206 17.268 -16.397 4.744 1.00 9.36 H new ATOM 0 HD2 LYS A 206 14.875 -15.801 5.328 1.00 9.64 H new ATOM 0 HD3 LYS A 206 14.916 -14.590 4.062 1.00 9.64 H new ATOM 0 HE2 LYS A 206 13.910 -16.597 3.158 1.00 9.95 H new ATOM 0 HE3 LYS A 206 15.475 -16.377 2.399 1.00 9.95 H new ATOM 0 HZ1 LYS A 206 14.895 -18.684 3.221 1.00 10.29 H new ATOM 0 HZ2 LYS A 206 16.418 -18.081 3.668 1.00 10.29 H new ATOM 0 HZ3 LYS A 206 15.146 -18.093 4.793 1.00 10.29 H new ATOM 834 N LEU A 207 16.731 -10.902 6.611 1.00 8.58 N ATOM 835 CA LEU A 207 16.960 -9.990 7.726 1.00 8.66 C ATOM 836 C LEU A 207 15.641 -9.634 8.405 1.00 8.06 C ATOM 837 O LEU A 207 15.609 -8.905 9.395 1.00 8.10 O ATOM 838 CB LEU A 207 17.657 -8.719 7.238 1.00 9.02 C ATOM 839 CG LEU A 207 18.950 -8.946 6.452 1.00 9.66 C ATOM 840 CD1 LEU A 207 19.462 -7.633 5.882 1.00 9.96 C ATOM 841 CD2 LEU A 207 20.009 -9.594 7.333 1.00 10.21 C ATOM 0 H LEU A 207 16.421 -10.450 5.751 1.00 8.58 H new ATOM 0 HA LEU A 207 17.603 -10.489 8.451 1.00 8.66 H new ATOM 0 HB2 LEU A 207 16.962 -8.161 6.610 1.00 9.02 H new ATOM 0 HB3 LEU A 207 17.881 -8.092 8.101 1.00 9.02 H new ATOM 0 HG LEU A 207 18.734 -9.622 5.625 1.00 9.66 H new ATOM 0 HD11 LEU A 207 20.382 -7.812 5.326 1.00 9.96 H new ATOM 0 HD12 LEU A 207 18.712 -7.209 5.215 1.00 9.96 H new ATOM 0 HD13 LEU A 207 19.660 -6.936 6.696 1.00 9.96 H new ATOM 0 HD21 LEU A 207 20.920 -9.746 6.754 1.00 10.21 H new ATOM 0 HD22 LEU A 207 20.223 -8.945 8.182 1.00 10.21 H new ATOM 0 HD23 LEU A 207 19.643 -10.555 7.694 1.00 10.21 H new ATOM 853 N LEU A 208 14.558 -10.173 7.872 1.00 7.59 N ATOM 854 CA LEU A 208 13.224 -9.916 8.402 1.00 7.05 C ATOM 855 C LEU A 208 12.842 -10.962 9.435 1.00 6.95 C ATOM 856 O LEU A 208 13.097 -12.155 9.256 1.00 6.96 O ATOM 857 CB LEU A 208 12.210 -9.918 7.256 1.00 6.63 C ATOM 858 CG LEU A 208 10.933 -9.112 7.501 1.00 6.34 C ATOM 859 CD1 LEU A 208 11.248 -7.630 7.614 1.00 6.60 C ATOM 860 CD2 LEU A 208 9.938 -9.359 6.382 1.00 5.96 C ATOM 0 H LEU A 208 14.574 -10.797 7.065 1.00 7.59 H new ATOM 0 HA LEU A 208 13.223 -8.941 8.889 1.00 7.05 H new ATOM 0 HB2 LEU A 208 12.698 -9.529 6.362 1.00 6.63 H new ATOM 0 HB3 LEU A 208 11.931 -10.950 7.043 1.00 6.63 H new ATOM 0 HG LEU A 208 10.491 -9.439 8.442 1.00 6.34 H new ATOM 0 HD11 LEU A 208 10.327 -7.074 7.788 1.00 6.60 H new ATOM 0 HD12 LEU A 208 11.933 -7.466 8.446 1.00 6.60 H new ATOM 0 HD13 LEU A 208 11.711 -7.285 6.689 1.00 6.60 H new ATOM 0 HD21 LEU A 208 9.033 -8.781 6.566 1.00 5.96 H new ATOM 0 HD22 LEU A 208 10.376 -9.054 5.432 1.00 5.96 H new ATOM 0 HD23 LEU A 208 9.690 -10.420 6.344 1.00 5.96 H new ATOM 872 N THR A 209 12.250 -10.506 10.519 1.00 6.97 N ATOM 873 CA THR A 209 11.813 -11.381 11.586 1.00 7.00 C ATOM 874 C THR A 209 10.296 -11.290 11.719 1.00 6.57 C ATOM 875 O THR A 209 9.690 -10.333 11.230 1.00 6.24 O ATOM 876 CB THR A 209 12.479 -10.999 12.930 1.00 7.40 C ATOM 877 OG1 THR A 209 12.122 -9.662 13.304 1.00 7.39 O ATOM 878 CG2 THR A 209 13.994 -11.119 12.844 1.00 7.89 C ATOM 0 H THR A 209 12.058 -9.518 10.685 1.00 6.97 H new ATOM 0 HA THR A 209 12.107 -12.402 11.341 1.00 7.00 H new ATOM 0 HB THR A 209 12.118 -11.693 13.689 1.00 7.40 H new ATOM 0 HG1 THR A 209 12.393 -9.041 12.596 1.00 7.39 H new ATOM 0 HG21 THR A 209 14.436 -10.845 13.802 1.00 7.89 H new ATOM 0 HG22 THR A 209 14.264 -12.147 12.601 1.00 7.89 H new ATOM 0 HG23 THR A 209 14.368 -10.452 12.068 1.00 7.89 H new ATOM 886 N PRO A 210 9.650 -12.282 12.363 1.00 6.66 N ATOM 887 CA PRO A 210 8.190 -12.288 12.562 1.00 6.45 C ATOM 888 C PRO A 210 7.691 -11.018 13.252 1.00 6.38 C ATOM 889 O PRO A 210 6.505 -10.686 13.190 1.00 6.16 O ATOM 890 CB PRO A 210 7.948 -13.512 13.456 1.00 6.85 C ATOM 891 CG PRO A 210 9.289 -13.908 13.972 1.00 7.16 C ATOM 892 CD PRO A 210 10.272 -13.496 12.919 1.00 7.08 C ATOM 0 HA PRO A 210 7.655 -12.327 11.613 1.00 6.45 H new ATOM 0 HB2 PRO A 210 7.270 -13.271 14.274 1.00 6.85 H new ATOM 0 HB3 PRO A 210 7.490 -14.324 12.892 1.00 6.85 H new ATOM 0 HG2 PRO A 210 9.503 -13.416 14.921 1.00 7.16 H new ATOM 0 HG3 PRO A 210 9.337 -14.982 14.152 1.00 7.16 H new ATOM 0 HD2 PRO A 210 11.256 -13.292 13.340 1.00 7.08 H new ATOM 0 HD3 PRO A 210 10.403 -14.269 12.161 1.00 7.08 H new ATOM 900 N GLN A 211 8.613 -10.308 13.888 1.00 6.66 N ATOM 901 CA GLN A 211 8.291 -9.077 14.591 1.00 6.77 C ATOM 902 C GLN A 211 8.035 -7.945 13.601 1.00 6.45 C ATOM 903 O GLN A 211 6.989 -7.296 13.641 1.00 6.38 O ATOM 904 CB GLN A 211 9.435 -8.684 15.526 1.00 7.30 C ATOM 905 CG GLN A 211 10.112 -9.860 16.210 1.00 7.72 C ATOM 906 CD GLN A 211 11.364 -9.446 16.951 1.00 8.30 C ATOM 907 OE1 GLN A 211 11.322 -9.149 18.143 1.00 8.70 O ATOM 908 NE2 GLN A 211 12.482 -9.392 16.245 1.00 8.61 N ATOM 0 H GLN A 211 9.598 -10.568 13.930 1.00 6.66 H new ATOM 0 HA GLN A 211 7.388 -9.248 15.177 1.00 6.77 H new ATOM 0 HB2 GLN A 211 10.181 -8.131 14.956 1.00 7.30 H new ATOM 0 HB3 GLN A 211 9.050 -8.007 16.289 1.00 7.30 H new ATOM 0 HG2 GLN A 211 9.415 -10.323 16.908 1.00 7.72 H new ATOM 0 HG3 GLN A 211 10.365 -10.615 15.465 1.00 7.72 H new ATOM 0 HE21 GLN A 211 12.474 -9.647 15.257 1.00 8.61 H new ATOM 0 HE22 GLN A 211 13.351 -9.095 16.688 1.00 8.61 H new ATOM 917 N ASP A 212 8.984 -7.740 12.688 1.00 6.37 N ATOM 918 CA ASP A 212 8.880 -6.676 11.696 1.00 6.18 C ATOM 919 C ASP A 212 7.781 -6.983 10.689 1.00 5.63 C ATOM 920 O ASP A 212 7.186 -6.074 10.113 1.00 5.44 O ATOM 921 CB ASP A 212 10.209 -6.474 10.959 1.00 6.44 C ATOM 922 CG ASP A 212 11.403 -7.033 11.708 1.00 7.03 C ATOM 923 OD1 ASP A 212 11.725 -6.531 12.806 1.00 7.34 O1- ATOM 924 OD2 ASP A 212 12.018 -7.997 11.209 1.00 7.38 O ATOM 0 H ASP A 212 9.834 -8.299 12.617 1.00 6.37 H new ATOM 0 HA ASP A 212 8.632 -5.757 12.227 1.00 6.18 H new ATOM 0 HB2 ASP A 212 10.149 -6.949 9.980 1.00 6.44 H new ATOM 0 HB3 ASP A 212 10.363 -5.409 10.788 1.00 6.44 H new ATOM 929 N MET A 213 7.508 -8.269 10.490 1.00 5.47 N ATOM 930 CA MET A 213 6.470 -8.697 9.554 1.00 5.06 C ATOM 931 C MET A 213 5.106 -8.147 9.961 1.00 4.94 C ATOM 932 O MET A 213 4.292 -7.783 9.112 1.00 4.64 O ATOM 933 CB MET A 213 6.406 -10.225 9.482 1.00 5.15 C ATOM 934 CG MET A 213 7.623 -10.858 8.836 1.00 5.33 C ATOM 935 SD MET A 213 7.475 -12.649 8.680 1.00 5.56 S ATOM 936 CE MET A 213 6.206 -12.771 7.420 1.00 5.57 C ATOM 0 H MET A 213 7.990 -9.033 10.963 1.00 5.47 H new ATOM 0 HA MET A 213 6.728 -8.303 8.571 1.00 5.06 H new ATOM 0 HB2 MET A 213 6.293 -10.623 10.491 1.00 5.15 H new ATOM 0 HB3 MET A 213 5.517 -10.516 8.923 1.00 5.15 H new ATOM 0 HG2 MET A 213 7.773 -10.422 7.848 1.00 5.33 H new ATOM 0 HG3 MET A 213 8.508 -10.621 9.427 1.00 5.33 H new ATOM 0 HE1 MET A 213 5.428 -13.457 7.753 1.00 5.57 H new ATOM 0 HE2 MET A 213 5.771 -11.787 7.245 1.00 5.57 H new ATOM 0 HE3 MET A 213 6.646 -13.143 6.495 1.00 5.57 H new ATOM 946 N GLU A 214 4.873 -8.076 11.267 1.00 5.29 N ATOM 947 CA GLU A 214 3.612 -7.579 11.802 1.00 5.44 C ATOM 948 C GLU A 214 3.568 -6.054 11.805 1.00 5.41 C ATOM 949 O GLU A 214 2.492 -5.454 11.825 1.00 5.42 O ATOM 950 CB GLU A 214 3.388 -8.118 13.216 1.00 6.00 C ATOM 951 CG GLU A 214 2.883 -9.548 13.242 1.00 6.18 C ATOM 952 CD GLU A 214 1.488 -9.676 12.665 1.00 6.23 C ATOM 953 OE1 GLU A 214 0.512 -9.371 13.381 1.00 6.40 O1- ATOM 954 OE2 GLU A 214 1.355 -10.067 11.489 1.00 6.43 O ATOM 0 H GLU A 214 5.547 -8.359 11.979 1.00 5.29 H new ATOM 0 HA GLU A 214 2.811 -7.934 11.153 1.00 5.44 H new ATOM 0 HB2 GLU A 214 4.324 -8.061 13.771 1.00 6.00 H new ATOM 0 HB3 GLU A 214 2.672 -7.478 13.732 1.00 6.00 H new ATOM 0 HG2 GLU A 214 3.567 -10.183 12.678 1.00 6.18 H new ATOM 0 HG3 GLU A 214 2.884 -9.913 14.269 1.00 6.18 H new ATOM 961 N ALA A 215 4.731 -5.427 11.788 1.00 5.51 N ATOM 962 CA ALA A 215 4.802 -3.974 11.798 1.00 5.66 C ATOM 963 C ALA A 215 4.716 -3.397 10.386 1.00 5.27 C ATOM 964 O ALA A 215 4.086 -2.362 10.167 1.00 5.33 O ATOM 965 CB ALA A 215 6.080 -3.514 12.480 1.00 6.08 C ATOM 0 H ALA A 215 5.636 -5.897 11.767 1.00 5.51 H new ATOM 0 HA ALA A 215 3.945 -3.603 12.360 1.00 5.66 H new ATOM 0 HB1 ALA A 215 6.120 -2.425 12.481 1.00 6.08 H new ATOM 0 HB2 ALA A 215 6.096 -3.878 13.507 1.00 6.08 H new ATOM 0 HB3 ALA A 215 6.942 -3.909 11.942 1.00 6.08 H new ATOM 971 N ALA A 216 5.315 -4.092 9.424 1.00 4.95 N ATOM 972 CA ALA A 216 5.331 -3.636 8.040 1.00 4.66 C ATOM 973 C ALA A 216 3.945 -3.710 7.417 1.00 4.31 C ATOM 974 O ALA A 216 3.588 -2.889 6.570 1.00 4.17 O ATOM 975 CB ALA A 216 6.320 -4.455 7.224 1.00 4.61 C ATOM 0 H ALA A 216 5.798 -4.977 9.580 1.00 4.95 H new ATOM 0 HA ALA A 216 5.646 -2.593 8.035 1.00 4.66 H new ATOM 0 HB1 ALA A 216 6.321 -4.103 6.193 1.00 4.61 H new ATOM 0 HB2 ALA A 216 7.319 -4.345 7.646 1.00 4.61 H new ATOM 0 HB3 ALA A 216 6.030 -5.505 7.248 1.00 4.61 H new ATOM 981 N LYS A 217 3.155 -4.684 7.857 1.00 4.31 N ATOM 982 CA LYS A 217 1.811 -4.857 7.327 1.00 4.20 C ATOM 983 C LYS A 217 0.923 -3.665 7.692 1.00 4.42 C ATOM 984 O LYS A 217 -0.058 -3.372 7.007 1.00 4.34 O ATOM 985 CB LYS A 217 1.190 -6.165 7.829 1.00 4.47 C ATOM 986 CG LYS A 217 0.742 -6.120 9.280 1.00 4.63 C ATOM 987 CD LYS A 217 0.186 -7.456 9.732 1.00 5.07 C ATOM 988 CE LYS A 217 -0.661 -7.308 10.983 1.00 5.46 C ATOM 989 NZ LYS A 217 -1.246 -8.604 11.409 1.00 5.88 N1+ ATOM 0 H LYS A 217 3.421 -5.360 8.573 1.00 4.31 H new ATOM 0 HA LYS A 217 1.883 -4.909 6.241 1.00 4.20 H new ATOM 0 HB2 LYS A 217 0.333 -6.412 7.202 1.00 4.47 H new ATOM 0 HB3 LYS A 217 1.916 -6.969 7.708 1.00 4.47 H new ATOM 0 HG2 LYS A 217 1.584 -5.842 9.913 1.00 4.63 H new ATOM 0 HG3 LYS A 217 -0.018 -5.348 9.403 1.00 4.63 H new ATOM 0 HD2 LYS A 217 -0.415 -7.891 8.933 1.00 5.07 H new ATOM 0 HD3 LYS A 217 1.007 -8.147 9.926 1.00 5.07 H new ATOM 0 HE2 LYS A 217 -0.050 -6.902 11.790 1.00 5.46 H new ATOM 0 HE3 LYS A 217 -1.461 -6.591 10.798 1.00 5.46 H new ATOM 0 HZ1 LYS A 217 -2.277 -8.505 11.505 1.00 5.88 H new ATOM 0 HZ2 LYS A 217 -1.033 -9.332 10.697 1.00 5.88 H new ATOM 0 HZ3 LYS A 217 -0.839 -8.885 12.324 1.00 5.88 H new ATOM 1003 N GLU A 218 1.276 -3.004 8.770 1.00 0.00 N ATOM 1004 CA GLU A 218 0.535 -1.826 9.214 1.00 0.00 C ATOM 1005 C GLU A 218 1.009 -0.587 8.495 1.00 0.00 C ATOM 1006 O GLU A 218 0.217 0.253 8.070 1.00 0.00 O ATOM 1007 CB GLU A 218 0.694 -1.656 10.753 1.00 0.00 C ATOM 1008 CG GLU A 218 -0.100 -0.469 11.389 1.00 0.00 C ATOM 1009 CD GLU A 218 -0.028 -0.277 12.892 1.00 0.00 C ATOM 1010 OE1 GLU A 218 0.644 -1.047 13.605 1.00 0.00 O ATOM 1011 OE2 GLU A 218 -0.660 0.692 13.361 1.00 0.00 O1- ATOM 0 H GLU A 218 2.069 -3.254 9.361 1.00 0.00 H new ATOM 0 HA GLU A 218 -0.519 -1.967 8.976 1.00 0.00 H new ATOM 0 HB2 GLU A 218 0.379 -2.581 11.237 1.00 0.00 H new ATOM 0 HB3 GLU A 218 1.752 -1.523 10.978 1.00 0.00 H new ATOM 0 HG2 GLU A 218 0.246 0.452 10.920 1.00 0.00 H new ATOM 0 HG3 GLU A 218 -1.149 -0.589 11.119 1.00 0.00 H new ATOM 1018 N VAL A 219 2.330 -0.500 8.310 1.00 4.99 N ATOM 1019 CA VAL A 219 2.958 0.618 7.608 1.00 5.07 C ATOM 1020 C VAL A 219 2.358 0.790 6.213 1.00 4.71 C ATOM 1021 O VAL A 219 2.062 1.906 5.783 1.00 4.89 O ATOM 1022 CB VAL A 219 4.487 0.409 7.491 1.00 5.20 C ATOM 1023 CG1 VAL A 219 5.123 1.494 6.639 1.00 5.47 C ATOM 1024 CG2 VAL A 219 5.127 0.376 8.870 1.00 5.63 C ATOM 0 H VAL A 219 2.991 -1.202 8.643 1.00 4.99 H new ATOM 0 HA VAL A 219 2.768 1.520 8.190 1.00 5.07 H new ATOM 0 HB VAL A 219 4.659 -0.550 7.002 1.00 5.20 H new ATOM 0 HG11 VAL A 219 6.197 1.322 6.574 1.00 5.47 H new ATOM 0 HG12 VAL A 219 4.691 1.471 5.639 1.00 5.47 H new ATOM 0 HG13 VAL A 219 4.938 2.468 7.092 1.00 5.47 H new ATOM 0 HG21 VAL A 219 6.202 0.228 8.769 1.00 5.63 H new ATOM 0 HG22 VAL A 219 4.937 1.319 9.382 1.00 5.63 H new ATOM 0 HG23 VAL A 219 4.701 -0.443 9.449 1.00 5.63 H new ATOM 1034 N TYR A 220 2.171 -0.332 5.529 1.00 4.28 N ATOM 1035 CA TYR A 220 1.603 -0.345 4.184 1.00 4.00 C ATOM 1036 C TYR A 220 0.223 0.317 4.161 1.00 4.14 C ATOM 1037 O TYR A 220 -0.119 1.032 3.221 1.00 4.18 O ATOM 1038 CB TYR A 220 1.485 -1.789 3.695 1.00 3.69 C ATOM 1039 CG TYR A 220 1.890 -2.001 2.252 1.00 3.55 C ATOM 1040 CD1 TYR A 220 1.062 -1.607 1.208 1.00 3.52 C ATOM 1041 CD2 TYR A 220 3.094 -2.617 1.935 1.00 3.97 C ATOM 1042 CE1 TYR A 220 1.423 -1.823 -0.111 1.00 3.66 C ATOM 1043 CE2 TYR A 220 3.463 -2.830 0.620 1.00 4.12 C ATOM 1044 CZ TYR A 220 2.624 -2.434 -0.399 1.00 3.85 C ATOM 1045 OH TYR A 220 2.984 -2.659 -1.706 1.00 4.23 O ATOM 0 H TYR A 220 2.408 -1.257 5.889 1.00 4.28 H new ATOM 0 HA TYR A 220 2.264 0.219 3.526 1.00 4.00 H new ATOM 0 HB2 TYR A 220 2.103 -2.425 4.329 1.00 3.69 H new ATOM 0 HB3 TYR A 220 0.454 -2.118 3.821 1.00 3.69 H new ATOM 0 HD1 TYR A 220 0.121 -1.124 1.429 1.00 3.52 H new ATOM 0 HD2 TYR A 220 3.753 -2.935 2.729 1.00 3.97 H new ATOM 0 HE1 TYR A 220 0.766 -1.514 -0.911 1.00 3.66 H new ATOM 0 HE2 TYR A 220 4.406 -3.305 0.392 1.00 4.12 H new ATOM 0 HH TYR A 220 2.413 -2.127 -2.299 1.00 4.23 H new ATOM 1055 N LYS A 221 -0.552 0.090 5.217 1.00 4.37 N ATOM 1056 CA LYS A 221 -1.898 0.645 5.318 1.00 4.73 C ATOM 1057 C LYS A 221 -1.864 2.144 5.585 1.00 5.09 C ATOM 1058 O LYS A 221 -2.722 2.890 5.107 1.00 5.27 O ATOM 1059 CB LYS A 221 -2.681 -0.069 6.421 1.00 5.11 C ATOM 1060 CG LYS A 221 -2.788 -1.568 6.208 1.00 5.12 C ATOM 1061 CD LYS A 221 -3.732 -2.208 7.208 1.00 5.57 C ATOM 1062 CE LYS A 221 -3.990 -3.670 6.874 1.00 5.79 C ATOM 1063 NZ LYS A 221 -2.784 -4.512 7.094 1.00 6.17 N1+ ATOM 0 H LYS A 221 -0.270 -0.476 6.017 1.00 4.37 H new ATOM 0 HA LYS A 221 -2.398 0.487 4.362 1.00 4.73 H new ATOM 0 HB2 LYS A 221 -2.199 0.121 7.380 1.00 5.11 H new ATOM 0 HB3 LYS A 221 -3.683 0.355 6.478 1.00 5.11 H new ATOM 0 HG2 LYS A 221 -3.139 -1.768 5.196 1.00 5.12 H new ATOM 0 HG3 LYS A 221 -1.800 -2.020 6.298 1.00 5.12 H new ATOM 0 HD2 LYS A 221 -3.309 -2.132 8.210 1.00 5.57 H new ATOM 0 HD3 LYS A 221 -4.676 -1.664 7.218 1.00 5.57 H new ATOM 0 HE2 LYS A 221 -4.810 -4.043 7.488 1.00 5.79 H new ATOM 0 HE3 LYS A 221 -4.306 -3.754 5.834 1.00 5.79 H new ATOM 0 HZ1 LYS A 221 -2.647 -5.142 6.278 1.00 6.17 H new ATOM 0 HZ2 LYS A 221 -1.949 -3.901 7.204 1.00 6.17 H new ATOM 0 HZ3 LYS A 221 -2.911 -5.082 7.954 1.00 6.17 H new ATOM 1077 N ILE A 222 -0.875 2.587 6.353 1.00 5.30 N ATOM 1078 CA ILE A 222 -0.738 4.003 6.664 1.00 5.78 C ATOM 1079 C ILE A 222 -0.268 4.760 5.426 1.00 5.68 C ATOM 1080 O ILE A 222 -0.667 5.902 5.191 1.00 6.01 O ATOM 1081 CB ILE A 222 0.247 4.242 7.828 1.00 6.15 C ATOM 1082 CG1 ILE A 222 -0.097 3.331 9.013 1.00 6.30 C ATOM 1083 CG2 ILE A 222 0.217 5.704 8.255 1.00 6.74 C ATOM 1084 CD1 ILE A 222 0.909 3.394 10.145 1.00 6.53 C ATOM 0 H ILE A 222 -0.161 1.989 6.769 1.00 5.30 H new ATOM 0 HA ILE A 222 -1.716 4.371 6.975 1.00 5.78 H new ATOM 0 HB ILE A 222 1.254 4.001 7.487 1.00 6.15 H new ATOM 0 HG12 ILE A 222 -1.080 3.605 9.397 1.00 6.30 H new ATOM 0 HG13 ILE A 222 -0.169 2.302 8.660 1.00 6.30 H new ATOM 0 HG21 ILE A 222 0.917 5.857 9.077 1.00 6.74 H new ATOM 0 HG22 ILE A 222 0.502 6.335 7.413 1.00 6.74 H new ATOM 0 HG23 ILE A 222 -0.789 5.967 8.581 1.00 6.74 H new ATOM 0 HD11 ILE A 222 0.598 2.723 10.946 1.00 6.53 H new ATOM 0 HD12 ILE A 222 1.889 3.091 9.778 1.00 6.53 H new ATOM 0 HD13 ILE A 222 0.964 4.414 10.526 1.00 6.53 H new ATOM 1096 N HIS A 223 0.566 4.104 4.627 1.00 5.31 N ATOM 1097 CA HIS A 223 1.089 4.690 3.396 1.00 5.36 C ATOM 1098 C HIS A 223 -0.062 5.046 2.457 1.00 5.26 C ATOM 1099 O HIS A 223 -0.095 6.132 1.873 1.00 5.59 O ATOM 1100 CB HIS A 223 2.044 3.699 2.721 1.00 5.11 C ATOM 1101 CG HIS A 223 2.918 4.297 1.656 1.00 5.45 C ATOM 1102 ND1 HIS A 223 3.891 3.552 1.034 1.00 5.42 N ATOM 1103 CD2 HIS A 223 2.925 5.552 1.139 1.00 5.95 C ATOM 1104 CE1 HIS A 223 4.464 4.359 0.157 1.00 5.92 C ATOM 1105 NE2 HIS A 223 3.912 5.581 0.186 1.00 6.23 N ATOM 0 H HIS A 223 0.898 3.157 4.811 1.00 5.31 H new ATOM 0 HA HIS A 223 1.636 5.602 3.633 1.00 5.36 H new ATOM 0 HB2 HIS A 223 2.680 3.250 3.484 1.00 5.11 H new ATOM 0 HB3 HIS A 223 1.458 2.893 2.280 1.00 5.11 H new ATOM 0 HD2 HIS A 223 2.279 6.370 1.423 1.00 5.95 H new ATOM 0 HE1 HIS A 223 5.273 4.071 -0.498 1.00 5.92 H new ATOM 0 HE2 HIS A 223 4.176 6.380 -0.391 1.00 6.23 H new ATOM 1113 N GLN A 224 -1.015 4.128 2.346 1.00 4.91 N ATOM 1114 CA GLN A 224 -2.186 4.322 1.498 1.00 4.90 C ATOM 1115 C GLN A 224 -3.005 5.524 1.973 1.00 5.38 C ATOM 1116 O GLN A 224 -3.591 6.254 1.172 1.00 5.57 O ATOM 1117 CB GLN A 224 -3.043 3.052 1.517 1.00 4.63 C ATOM 1118 CG GLN A 224 -4.371 3.182 0.788 1.00 4.79 C ATOM 1119 CD GLN A 224 -5.186 1.905 0.840 1.00 4.97 C ATOM 1120 OE1 GLN A 224 -4.640 0.802 0.793 1.00 5.09 O ATOM 1121 NE2 GLN A 224 -6.497 2.045 0.958 1.00 5.38 N ATOM 0 H GLN A 224 -0.999 3.234 2.837 1.00 4.91 H new ATOM 0 HA GLN A 224 -1.857 4.521 0.478 1.00 4.90 H new ATOM 0 HB2 GLN A 224 -2.474 2.237 1.069 1.00 4.63 H new ATOM 0 HB3 GLN A 224 -3.236 2.774 2.553 1.00 4.63 H new ATOM 0 HG2 GLN A 224 -4.947 3.995 1.230 1.00 4.79 H new ATOM 0 HG3 GLN A 224 -4.187 3.450 -0.252 1.00 4.79 H new ATOM 0 HE21 GLN A 224 -6.909 2.977 0.993 1.00 5.38 H new ATOM 0 HE22 GLN A 224 -7.095 1.221 1.014 1.00 5.38 H new ATOM 1130 N GLN A 225 -3.009 5.735 3.283 1.00 5.66 N ATOM 1131 CA GLN A 225 -3.748 6.836 3.887 1.00 6.22 C ATOM 1132 C GLN A 225 -3.176 8.186 3.451 1.00 6.53 C ATOM 1133 O GLN A 225 -3.923 9.135 3.207 1.00 6.88 O ATOM 1134 CB GLN A 225 -3.707 6.706 5.409 1.00 6.56 C ATOM 1135 CG GLN A 225 -4.813 7.459 6.126 1.00 6.94 C ATOM 1136 CD GLN A 225 -5.248 6.767 7.404 1.00 7.36 C ATOM 1137 OE1 GLN A 225 -5.221 5.535 7.498 1.00 7.76 O ATOM 1138 NE2 GLN A 225 -5.639 7.547 8.397 1.00 7.56 N ATOM 0 H GLN A 225 -2.505 5.153 3.952 1.00 5.66 H new ATOM 0 HA GLN A 225 -4.783 6.788 3.549 1.00 6.22 H new ATOM 0 HB2 GLN A 225 -3.770 5.651 5.674 1.00 6.56 H new ATOM 0 HB3 GLN A 225 -2.744 7.068 5.768 1.00 6.56 H new ATOM 0 HG2 GLN A 225 -4.470 8.467 6.360 1.00 6.94 H new ATOM 0 HG3 GLN A 225 -5.670 7.560 5.461 1.00 6.94 H new ATOM 0 HE21 GLN A 225 -5.646 8.560 8.277 1.00 7.56 H new ATOM 0 HE22 GLN A 225 -5.934 7.136 9.283 1.00 7.56 H new ATOM 1147 N LEU A 226 -1.852 8.263 3.346 1.00 6.49 N ATOM 1148 CA LEU A 226 -1.191 9.500 2.931 1.00 6.92 C ATOM 1149 C LEU A 226 -1.554 9.840 1.490 1.00 6.85 C ATOM 1150 O LEU A 226 -1.811 10.998 1.160 1.00 7.28 O ATOM 1151 CB LEU A 226 0.335 9.387 3.057 1.00 7.02 C ATOM 1152 CG LEU A 226 0.930 9.794 4.413 1.00 7.62 C ATOM 1153 CD1 LEU A 226 0.261 11.054 4.950 1.00 7.93 C ATOM 1154 CD2 LEU A 226 0.822 8.652 5.411 1.00 8.09 C ATOM 0 H LEU A 226 -1.217 7.489 3.541 1.00 6.49 H new ATOM 0 HA LEU A 226 -1.538 10.294 3.592 1.00 6.92 H new ATOM 0 HB2 LEU A 226 0.621 8.355 2.852 1.00 7.02 H new ATOM 0 HB3 LEU A 226 0.790 10.004 2.283 1.00 7.02 H new ATOM 0 HG LEU A 226 1.987 10.017 4.265 1.00 7.62 H new ATOM 0 HD11 LEU A 226 0.702 11.319 5.911 1.00 7.93 H new ATOM 0 HD12 LEU A 226 0.408 11.873 4.245 1.00 7.93 H new ATOM 0 HD13 LEU A 226 -0.806 10.873 5.078 1.00 7.93 H new ATOM 0 HD21 LEU A 226 1.249 8.961 6.365 1.00 8.09 H new ATOM 0 HD22 LEU A 226 -0.227 8.389 5.551 1.00 8.09 H new ATOM 0 HD23 LEU A 226 1.366 7.786 5.033 1.00 8.09 H new ATOM 1166 N LEU A 227 -1.587 8.817 0.645 1.00 6.38 N ATOM 1167 CA LEU A 227 -1.915 8.992 -0.766 1.00 6.38 C ATOM 1168 C LEU A 227 -3.328 9.548 -0.930 1.00 6.51 C ATOM 1169 O LEU A 227 -3.577 10.393 -1.788 1.00 6.81 O ATOM 1170 CB LEU A 227 -1.792 7.660 -1.509 1.00 5.94 C ATOM 1171 CG LEU A 227 -0.438 6.954 -1.374 1.00 5.92 C ATOM 1172 CD1 LEU A 227 -0.474 5.603 -2.075 1.00 5.56 C ATOM 1173 CD2 LEU A 227 0.678 7.819 -1.941 1.00 6.51 C ATOM 0 H LEU A 227 -1.390 7.853 0.913 1.00 6.38 H new ATOM 0 HA LEU A 227 -1.209 9.705 -1.192 1.00 6.38 H new ATOM 0 HB2 LEU A 227 -2.570 6.988 -1.147 1.00 5.94 H new ATOM 0 HB3 LEU A 227 -1.988 7.834 -2.567 1.00 5.94 H new ATOM 0 HG LEU A 227 -0.239 6.791 -0.315 1.00 5.92 H new ATOM 0 HD11 LEU A 227 0.494 5.113 -1.971 1.00 5.56 H new ATOM 0 HD12 LEU A 227 -1.246 4.980 -1.624 1.00 5.56 H new ATOM 0 HD13 LEU A 227 -0.696 5.748 -3.132 1.00 5.56 H new ATOM 0 HD21 LEU A 227 1.630 7.300 -1.835 1.00 6.51 H new ATOM 0 HD22 LEU A 227 0.486 8.015 -2.996 1.00 6.51 H new ATOM 0 HD23 LEU A 227 0.718 8.763 -1.398 1.00 6.51 H new ATOM 1185 N PHE A 228 -4.241 9.071 -0.091 1.00 6.38 N ATOM 1186 CA PHE A 228 -5.628 9.515 -0.127 1.00 6.62 C ATOM 1187 C PHE A 228 -5.719 11.013 0.161 1.00 7.17 C ATOM 1188 O PHE A 228 -6.327 11.768 -0.600 1.00 7.44 O ATOM 1189 CB PHE A 228 -6.454 8.728 0.895 1.00 6.57 C ATOM 1190 CG PHE A 228 -7.927 8.978 0.819 1.00 6.89 C ATOM 1191 CD1 PHE A 228 -8.726 8.221 -0.017 1.00 7.04 C ATOM 1192 CD2 PHE A 228 -8.516 9.969 1.587 1.00 7.26 C ATOM 1193 CE1 PHE A 228 -10.085 8.443 -0.084 1.00 7.43 C ATOM 1194 CE2 PHE A 228 -9.873 10.196 1.524 1.00 7.64 C ATOM 1195 CZ PHE A 228 -10.660 9.434 0.685 1.00 7.67 C ATOM 0 H PHE A 228 -4.043 8.373 0.626 1.00 6.38 H new ATOM 0 HA PHE A 228 -6.028 9.332 -1.124 1.00 6.62 H new ATOM 0 HB2 PHE A 228 -6.270 7.663 0.751 1.00 6.57 H new ATOM 0 HB3 PHE A 228 -6.106 8.979 1.897 1.00 6.57 H new ATOM 0 HD1 PHE A 228 -8.281 7.447 -0.625 1.00 7.04 H new ATOM 0 HD2 PHE A 228 -7.904 10.571 2.243 1.00 7.26 H new ATOM 0 HE1 PHE A 228 -10.699 7.842 -0.738 1.00 7.43 H new ATOM 0 HE2 PHE A 228 -10.321 10.969 2.131 1.00 7.64 H new ATOM 0 HZ PHE A 228 -11.724 9.613 0.630 1.00 7.67 H new ATOM 1205 N LYS A 229 -5.090 11.437 1.251 1.00 7.38 N ATOM 1206 CA LYS A 229 -5.099 12.840 1.647 1.00 7.96 C ATOM 1207 C LYS A 229 -4.420 13.711 0.594 1.00 8.17 C ATOM 1208 O LYS A 229 -4.862 14.826 0.322 1.00 8.60 O ATOM 1209 CB LYS A 229 -4.389 13.023 2.989 1.00 8.19 C ATOM 1210 CG LYS A 229 -5.052 12.299 4.146 1.00 8.20 C ATOM 1211 CD LYS A 229 -4.480 12.758 5.477 1.00 8.62 C ATOM 1212 CE LYS A 229 -5.039 11.948 6.633 1.00 8.81 C ATOM 1213 NZ LYS A 229 -4.634 12.509 7.948 1.00 9.36 N1+ ATOM 0 H LYS A 229 -4.566 10.827 1.878 1.00 7.38 H new ATOM 0 HA LYS A 229 -6.140 13.149 1.743 1.00 7.96 H new ATOM 0 HB2 LYS A 229 -3.362 12.671 2.895 1.00 8.19 H new ATOM 0 HB3 LYS A 229 -4.341 14.087 3.220 1.00 8.19 H new ATOM 0 HG2 LYS A 229 -6.126 12.482 4.126 1.00 8.20 H new ATOM 0 HG3 LYS A 229 -4.909 11.224 4.036 1.00 8.20 H new ATOM 0 HD2 LYS A 229 -3.394 12.666 5.459 1.00 8.62 H new ATOM 0 HD3 LYS A 229 -4.708 13.813 5.627 1.00 8.62 H new ATOM 0 HE2 LYS A 229 -6.127 11.924 6.568 1.00 8.81 H new ATOM 0 HE3 LYS A 229 -4.693 10.917 6.555 1.00 8.81 H new ATOM 0 HZ1 LYS A 229 -5.035 11.928 8.712 1.00 9.36 H new ATOM 0 HZ2 LYS A 229 -3.597 12.508 8.021 1.00 9.36 H new ATOM 0 HZ3 LYS A 229 -4.986 13.484 8.033 1.00 9.36 H new ATOM 1227 N ALA A 230 -3.353 13.185 0.002 1.00 7.94 N ATOM 1228 CA ALA A 230 -2.601 13.903 -1.019 1.00 8.24 C ATOM 1229 C ALA A 230 -3.472 14.260 -2.217 1.00 8.26 C ATOM 1230 O ALA A 230 -3.323 15.331 -2.807 1.00 8.69 O ATOM 1231 CB ALA A 230 -1.410 13.073 -1.469 1.00 8.09 C ATOM 0 H ALA A 230 -2.988 12.257 0.214 1.00 7.94 H new ATOM 0 HA ALA A 230 -2.249 14.835 -0.577 1.00 8.24 H new ATOM 0 HB1 ALA A 230 -0.854 13.618 -2.232 1.00 8.09 H new ATOM 0 HB2 ALA A 230 -0.760 12.878 -0.616 1.00 8.09 H new ATOM 0 HB3 ALA A 230 -1.761 12.127 -1.882 1.00 8.09 H new ATOM 1603 N ASN B 116 13.214 -17.476 -7.824 1.00 11.51 N ATOM 1604 CA ASN B 116 12.221 -17.910 -6.849 1.00 10.99 C ATOM 1605 C ASN B 116 11.831 -16.747 -5.942 1.00 10.00 C ATOM 1606 O ASN B 116 11.176 -16.925 -4.919 1.00 9.54 O ATOM 1607 CB ASN B 116 12.767 -19.073 -6.014 1.00 11.43 C ATOM 1608 CG ASN B 116 11.679 -19.788 -5.235 1.00 11.80 C ATOM 1609 OD1 ASN B 116 10.569 -19.977 -5.730 1.00 12.04 O ATOM 1610 ND2 ASN B 116 11.982 -20.175 -4.009 1.00 12.05 N ATOM 0 HA ASN B 116 11.334 -18.251 -7.383 1.00 10.99 H new ATOM 0 HB2 ASN B 116 13.267 -19.785 -6.671 1.00 11.43 H new ATOM 0 HB3 ASN B 116 13.519 -18.697 -5.320 1.00 11.43 H new ATOM 0 HD21 ASN B 116 11.284 -20.649 -3.437 1.00 12.05 H new ATOM 0 HD22 ASN B 116 12.914 -20.000 -3.635 1.00 12.05 H new ATOM 1617 N SER B 117 12.214 -15.548 -6.342 1.00 9.85 N ATOM 1618 CA SER B 117 11.917 -14.359 -5.566 1.00 9.09 C ATOM 1619 C SER B 117 10.578 -13.744 -5.973 1.00 8.48 C ATOM 1620 O SER B 117 10.351 -12.548 -5.787 1.00 7.94 O ATOM 1621 CB SER B 117 13.043 -13.348 -5.739 1.00 9.58 C ATOM 1622 OG SER B 117 14.264 -13.861 -5.225 1.00 10.42 O ATOM 0 H SER B 117 12.733 -15.372 -7.202 1.00 9.85 H new ATOM 0 HA SER B 117 11.839 -14.642 -4.516 1.00 9.09 H new ATOM 0 HB2 SER B 117 13.161 -13.105 -6.795 1.00 9.58 H new ATOM 0 HB3 SER B 117 12.788 -12.421 -5.226 1.00 9.58 H new ATOM 0 HG SER B 117 14.165 -14.042 -4.267 1.00 10.42 H new ATOM 1628 N LYS B 118 9.684 -14.569 -6.504 1.00 8.71 N ATOM 1629 CA LYS B 118 8.378 -14.092 -6.932 1.00 8.32 C ATOM 1630 C LYS B 118 7.390 -14.129 -5.772 1.00 7.50 C ATOM 1631 O LYS B 118 6.519 -13.269 -5.657 1.00 7.07 O ATOM 1632 CB LYS B 118 7.849 -14.929 -8.104 1.00 9.09 C ATOM 1633 CG LYS B 118 8.847 -15.099 -9.240 1.00 9.49 C ATOM 1634 CD LYS B 118 8.161 -15.564 -10.515 1.00 10.17 C ATOM 1635 CE LYS B 118 9.164 -15.940 -11.596 1.00 10.68 C ATOM 1636 NZ LYS B 118 9.665 -17.332 -11.427 1.00 11.16 N1+ ATOM 0 H LYS B 118 9.840 -15.567 -6.647 1.00 8.71 H new ATOM 0 HA LYS B 118 8.487 -13.060 -7.267 1.00 8.32 H new ATOM 0 HB2 LYS B 118 7.563 -15.914 -7.734 1.00 9.09 H new ATOM 0 HB3 LYS B 118 6.946 -14.460 -8.494 1.00 9.09 H new ATOM 0 HG2 LYS B 118 9.357 -14.153 -9.423 1.00 9.49 H new ATOM 0 HG3 LYS B 118 9.610 -15.822 -8.951 1.00 9.49 H new ATOM 0 HD2 LYS B 118 7.527 -16.423 -10.294 1.00 10.17 H new ATOM 0 HD3 LYS B 118 7.508 -14.773 -10.885 1.00 10.17 H new ATOM 0 HE2 LYS B 118 8.697 -15.838 -12.576 1.00 10.68 H new ATOM 0 HE3 LYS B 118 10.004 -15.246 -11.569 1.00 10.68 H new ATOM 0 HZ1 LYS B 118 10.346 -17.550 -12.182 1.00 11.16 H new ATOM 0 HZ2 LYS B 118 10.133 -17.423 -10.503 1.00 11.16 H new ATOM 0 HZ3 LYS B 118 8.867 -17.997 -11.478 1.00 11.16 H new ATOM 1650 N GLU B 119 7.543 -15.120 -4.899 1.00 7.48 N ATOM 1651 CA GLU B 119 6.655 -15.266 -3.750 1.00 6.99 C ATOM 1652 C GLU B 119 6.935 -14.198 -2.694 1.00 6.13 C ATOM 1653 O GLU B 119 6.103 -13.936 -1.825 1.00 5.77 O ATOM 1654 CB GLU B 119 6.795 -16.659 -3.129 1.00 7.65 C ATOM 1655 CG GLU B 119 8.198 -16.980 -2.634 1.00 8.43 C ATOM 1656 CD GLU B 119 8.200 -18.048 -1.559 1.00 9.01 C ATOM 1657 OE1 GLU B 119 7.431 -19.024 -1.685 1.00 9.37 O1- ATOM 1658 OE2 GLU B 119 8.958 -17.908 -0.573 1.00 9.34 O ATOM 0 H GLU B 119 8.271 -15.832 -4.964 1.00 7.48 H new ATOM 0 HA GLU B 119 5.633 -15.138 -4.108 1.00 6.99 H new ATOM 0 HB2 GLU B 119 6.098 -16.745 -2.295 1.00 7.65 H new ATOM 0 HB3 GLU B 119 6.502 -17.405 -3.867 1.00 7.65 H new ATOM 0 HG2 GLU B 119 8.810 -17.312 -3.473 1.00 8.43 H new ATOM 0 HG3 GLU B 119 8.659 -16.073 -2.242 1.00 8.43 H new ATOM 1665 N TRP B 120 8.102 -13.577 -2.783 1.00 6.01 N ATOM 1666 CA TRP B 120 8.495 -12.546 -1.833 1.00 5.38 C ATOM 1667 C TRP B 120 7.632 -11.297 -1.995 1.00 4.90 C ATOM 1668 O TRP B 120 7.259 -10.660 -1.011 1.00 4.43 O ATOM 1669 CB TRP B 120 9.972 -12.193 -2.016 1.00 5.80 C ATOM 1670 CG TRP B 120 10.875 -12.885 -1.041 1.00 5.98 C ATOM 1671 CD1 TRP B 120 11.337 -12.383 0.139 1.00 6.39 C ATOM 1672 CD2 TRP B 120 11.426 -14.199 -1.162 1.00 6.18 C ATOM 1673 NE1 TRP B 120 12.148 -13.304 0.758 1.00 6.78 N ATOM 1674 CE2 TRP B 120 12.220 -14.425 -0.020 1.00 6.64 C ATOM 1675 CE3 TRP B 120 11.333 -15.205 -2.125 1.00 6.35 C ATOM 1676 CZ2 TRP B 120 12.908 -15.616 0.184 1.00 7.17 C ATOM 1677 CZ3 TRP B 120 12.017 -16.388 -1.921 1.00 6.93 C ATOM 1678 CH2 TRP B 120 12.799 -16.583 -0.775 1.00 7.28 C ATOM 0 H TRP B 120 8.795 -13.770 -3.506 1.00 6.01 H new ATOM 0 HA TRP B 120 8.345 -12.937 -0.826 1.00 5.38 H new ATOM 0 HB2 TRP B 120 10.277 -12.453 -3.030 1.00 5.80 H new ATOM 0 HB3 TRP B 120 10.096 -11.115 -1.912 1.00 5.80 H new ATOM 0 HD1 TRP B 120 11.100 -11.405 0.530 1.00 6.39 H new ATOM 0 HE1 TRP B 120 12.620 -13.172 1.653 1.00 6.78 H new ATOM 0 HE3 TRP B 120 10.737 -15.061 -3.014 1.00 6.35 H new ATOM 0 HZ2 TRP B 120 13.507 -15.771 1.069 1.00 7.17 H new ATOM 0 HZ3 TRP B 120 11.948 -17.175 -2.657 1.00 6.93 H new ATOM 0 HH2 TRP B 120 13.326 -17.517 -0.647 1.00 7.28 H new ATOM 1689 N THR B 121 7.295 -10.968 -3.236 1.00 5.33 N ATOM 1690 CA THR B 121 6.483 -9.793 -3.518 1.00 5.34 C ATOM 1691 C THR B 121 5.042 -9.990 -3.051 1.00 5.03 C ATOM 1692 O THR B 121 4.313 -9.022 -2.826 1.00 5.08 O ATOM 1693 CB THR B 121 6.504 -9.465 -5.021 1.00 6.28 C ATOM 1694 OG1 THR B 121 7.387 -10.370 -5.699 1.00 6.81 O ATOM 1695 CG2 THR B 121 6.960 -8.033 -5.253 1.00 6.77 C ATOM 0 H THR B 121 7.572 -11.499 -4.062 1.00 5.33 H new ATOM 0 HA THR B 121 6.913 -8.957 -2.966 1.00 5.34 H new ATOM 0 HB THR B 121 5.494 -9.574 -5.415 1.00 6.28 H new ATOM 0 HG1 THR B 121 7.398 -10.161 -6.656 1.00 6.81 H new ATOM 0 HG21 THR B 121 6.968 -7.822 -6.322 1.00 6.77 H new ATOM 0 HG22 THR B 121 6.276 -7.348 -4.753 1.00 6.77 H new ATOM 0 HG23 THR B 121 7.964 -7.901 -4.850 1.00 6.77 H new ATOM 1703 N SER B 122 4.641 -11.246 -2.892 1.00 5.01 N ATOM 1704 CA SER B 122 3.295 -11.568 -2.441 1.00 4.99 C ATOM 1705 C SER B 122 3.167 -11.391 -0.929 1.00 4.55 C ATOM 1706 O SER B 122 2.062 -11.297 -0.395 1.00 4.76 O ATOM 1707 CB SER B 122 2.938 -13.002 -2.830 1.00 5.61 C ATOM 1708 OG SER B 122 2.994 -13.173 -4.237 1.00 6.23 O ATOM 0 H SER B 122 5.231 -12.059 -3.070 1.00 5.01 H new ATOM 0 HA SER B 122 2.602 -10.881 -2.927 1.00 4.99 H new ATOM 0 HB2 SER B 122 3.626 -13.696 -2.347 1.00 5.61 H new ATOM 0 HB3 SER B 122 1.938 -13.243 -2.470 1.00 5.61 H new ATOM 0 HG SER B 122 2.764 -14.098 -4.464 1.00 6.23 H new ATOM 1714 N LEU B 123 4.300 -11.338 -0.241 1.00 4.24 N ATOM 1715 CA LEU B 123 4.306 -11.172 1.207 1.00 4.22 C ATOM 1716 C LEU B 123 3.913 -9.743 1.578 1.00 4.10 C ATOM 1717 O LEU B 123 3.120 -9.521 2.492 1.00 4.50 O ATOM 1718 CB LEU B 123 5.695 -11.512 1.771 1.00 4.40 C ATOM 1719 CG LEU B 123 5.739 -11.974 3.236 1.00 5.14 C ATOM 1720 CD1 LEU B 123 5.605 -10.792 4.187 1.00 5.74 C ATOM 1721 CD2 LEU B 123 4.651 -13.004 3.510 1.00 5.71 C ATOM 0 H LEU B 123 5.227 -11.407 -0.662 1.00 4.24 H new ATOM 0 HA LEU B 123 3.576 -11.854 1.643 1.00 4.22 H new ATOM 0 HB2 LEU B 123 6.134 -12.294 1.152 1.00 4.40 H new ATOM 0 HB3 LEU B 123 6.330 -10.632 1.670 1.00 4.40 H new ATOM 0 HG LEU B 123 6.708 -12.441 3.410 1.00 5.14 H new ATOM 0 HD11 LEU B 123 5.639 -11.148 5.217 1.00 5.74 H new ATOM 0 HD12 LEU B 123 6.424 -10.093 4.017 1.00 5.74 H new ATOM 0 HD13 LEU B 123 4.655 -10.288 4.009 1.00 5.74 H new ATOM 0 HD21 LEU B 123 4.701 -13.317 4.553 1.00 5.71 H new ATOM 0 HD22 LEU B 123 3.674 -12.564 3.309 1.00 5.71 H new ATOM 0 HD23 LEU B 123 4.798 -13.869 2.864 1.00 5.71 H new