USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 599 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 224 GLN : amide:sc= 1.23 K(o=2.3,f=-0.56) USER MOD Set 1.2: B 117 SER OG : rot -110:sc= 1.05 USER MOD Set 2.1: A 209 THR OG1 : rot -53:sc= 1.72 USER MOD Set 2.2: A 211 GLN : amide:sc= 0.615 K(o=2.3,f=0.95) USER MOD Set 3.1: A 195 THR OG1 : rot -170:sc= 0.414 USER MOD Set 3.2: A 198 GLN : amide:sc= 0.296 X(o=0.71,f=0.31) USER MOD Set 4.1: A 180 LYS NZ :NH3+ 142:sc= 1.19 (180deg=0) USER MOD Set 4.2: A 184 GLN : amide:sc= 0.832 K(o=2,f=-3.8) USER MOD Set 5.1: A 171 ASN : amide:sc= 1.02 K(o=2.3,f=-3.4) USER MOD Set 5.2: A 174 LYS NZ :NH3+ 169:sc= 1.24 (180deg=0) USER MOD Single : A 172 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 173 MET CE :methyl -125:sc= -0.0266 (180deg=-0.384) USER MOD Single : A 181 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 188 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 192 ASN : amide:sc=-0.00209 X(o=-0.0021,f=-0.41) USER MOD Single : A 194 ASN : amide:sc= 0.014 X(o=0.014,f=0) USER MOD Single : A 197 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 200 THR OG1 : rot 180:sc= 0.0354 USER MOD Single : A 204 GLN : amide:sc= -2.51! X(o=-2.5!,f=-2.1) USER MOD Single : A 205 GLN : amide:sc= -0.0821 K(o=-0.082,f=-2.9!) USER MOD Single : A 206 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00815) USER MOD Single : A 213 MET CE :methyl 158:sc= -0.068 (180deg=-0.404) USER MOD Single : A 217 LYS NZ :NH3+ -164:sc= 1.3 (180deg=1.17) USER MOD Single : A 220 TYR OH : rot 38:sc= 1.12 USER MOD Single : A 221 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 223 HIS : no HD1:sc= -0.0204 K(o=-0.02,f=-0.55) USER MOD Single : A 225 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 229 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 116 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 118 LYS NZ :NH3+ 156:sc= 1.21 (180deg=0.301) USER MOD Single : B 121 THR OG1 : rot -71:sc= 0.132 USER MOD Single : B 122 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 200 N LEU A 169 -5.775 1.820 -8.042 1.00 5.81 N ATOM 201 CA LEU A 169 -5.238 2.352 -6.800 1.00 5.44 C ATOM 202 C LEU A 169 -4.221 1.379 -6.226 1.00 5.18 C ATOM 203 O LEU A 169 -3.170 1.775 -5.725 1.00 5.07 O ATOM 204 CB LEU A 169 -6.363 2.600 -5.790 1.00 5.36 C ATOM 205 CG LEU A 169 -7.296 3.765 -6.126 1.00 5.65 C ATOM 206 CD1 LEU A 169 -8.558 3.696 -5.281 1.00 5.76 C ATOM 207 CD2 LEU A 169 -6.588 5.097 -5.914 1.00 5.82 C ATOM 0 HA LEU A 169 -4.748 3.304 -7.006 1.00 5.44 H new ATOM 0 HB2 LEU A 169 -6.959 1.691 -5.704 1.00 5.36 H new ATOM 0 HB3 LEU A 169 -5.918 2.783 -4.812 1.00 5.36 H new ATOM 0 HG LEU A 169 -7.577 3.687 -7.176 1.00 5.65 H new ATOM 0 HD11 LEU A 169 -9.211 4.532 -5.533 1.00 5.76 H new ATOM 0 HD12 LEU A 169 -9.077 2.758 -5.478 1.00 5.76 H new ATOM 0 HD13 LEU A 169 -8.292 3.748 -4.225 1.00 5.76 H new ATOM 0 HD21 LEU A 169 -7.268 5.913 -6.158 1.00 5.82 H new ATOM 0 HD22 LEU A 169 -6.278 5.182 -4.873 1.00 5.82 H new ATOM 0 HD23 LEU A 169 -5.711 5.150 -6.559 1.00 5.82 H new ATOM 219 N VAL A 170 -4.545 0.100 -6.335 1.00 5.20 N ATOM 220 CA VAL A 170 -3.683 -0.961 -5.847 1.00 5.06 C ATOM 221 C VAL A 170 -2.359 -0.978 -6.609 1.00 5.34 C ATOM 222 O VAL A 170 -1.283 -1.043 -6.017 1.00 5.28 O ATOM 223 CB VAL A 170 -4.365 -2.339 -5.994 1.00 5.24 C ATOM 224 CG1 VAL A 170 -3.469 -3.449 -5.470 1.00 5.25 C ATOM 225 CG2 VAL A 170 -5.711 -2.356 -5.288 1.00 5.42 C ATOM 0 H VAL A 170 -5.410 -0.229 -6.763 1.00 5.20 H new ATOM 0 HA VAL A 170 -3.492 -0.766 -4.792 1.00 5.06 H new ATOM 0 HB VAL A 170 -4.536 -2.516 -7.056 1.00 5.24 H new ATOM 0 HG11 VAL A 170 -3.973 -4.409 -5.585 1.00 5.25 H new ATOM 0 HG12 VAL A 170 -2.536 -3.459 -6.033 1.00 5.25 H new ATOM 0 HG13 VAL A 170 -3.255 -3.276 -4.415 1.00 5.25 H new ATOM 0 HG21 VAL A 170 -6.171 -3.337 -5.406 1.00 5.42 H new ATOM 0 HG22 VAL A 170 -5.568 -2.147 -4.228 1.00 5.42 H new ATOM 0 HG23 VAL A 170 -6.360 -1.596 -5.723 1.00 5.42 H new ATOM 235 N ASN A 171 -2.459 -0.871 -7.928 1.00 5.77 N ATOM 236 CA ASN A 171 -1.295 -0.900 -8.809 1.00 6.24 C ATOM 237 C ASN A 171 -0.350 0.278 -8.575 1.00 6.25 C ATOM 238 O ASN A 171 0.834 0.205 -8.909 1.00 6.59 O ATOM 239 CB ASN A 171 -1.749 -0.917 -10.271 1.00 6.76 C ATOM 240 CG ASN A 171 -2.036 -2.320 -10.767 1.00 7.31 C ATOM 241 OD1 ASN A 171 -1.146 -3.011 -11.260 1.00 7.47 O ATOM 242 ND2 ASN A 171 -3.282 -2.752 -10.648 1.00 7.80 N ATOM 0 H ASN A 171 -3.347 -0.762 -8.418 1.00 5.77 H new ATOM 0 HA ASN A 171 -0.740 -1.809 -8.578 1.00 6.24 H new ATOM 0 HB2 ASN A 171 -2.645 -0.306 -10.378 1.00 6.76 H new ATOM 0 HB3 ASN A 171 -0.978 -0.464 -10.894 1.00 6.76 H new ATOM 0 HD21 ASN A 171 -3.531 -3.687 -10.971 1.00 7.80 H new ATOM 0 HD22 ASN A 171 -3.993 -2.150 -10.234 1.00 7.80 H new ATOM 249 N GLN A 172 -0.869 1.354 -7.999 1.00 6.00 N ATOM 250 CA GLN A 172 -0.067 2.549 -7.745 1.00 6.13 C ATOM 251 C GLN A 172 0.734 2.428 -6.451 1.00 5.80 C ATOM 252 O GLN A 172 1.696 3.169 -6.241 1.00 6.06 O ATOM 253 CB GLN A 172 -0.966 3.785 -7.681 1.00 6.13 C ATOM 254 CG GLN A 172 -1.405 4.293 -9.041 1.00 6.58 C ATOM 255 CD GLN A 172 -2.429 5.406 -8.941 1.00 6.95 C ATOM 256 OE1 GLN A 172 -2.082 6.585 -8.884 1.00 7.27 O ATOM 257 NE2 GLN A 172 -3.698 5.035 -8.910 1.00 7.22 N ATOM 0 H GLN A 172 -1.841 1.426 -7.698 1.00 6.00 H new ATOM 0 HA GLN A 172 0.638 2.652 -8.570 1.00 6.13 H new ATOM 0 HB2 GLN A 172 -1.850 3.550 -7.089 1.00 6.13 H new ATOM 0 HB3 GLN A 172 -0.436 4.582 -7.159 1.00 6.13 H new ATOM 0 HG2 GLN A 172 -0.534 4.653 -9.589 1.00 6.58 H new ATOM 0 HG3 GLN A 172 -1.825 3.467 -9.616 1.00 6.58 H new ATOM 0 HE21 GLN A 172 -3.941 4.046 -8.960 1.00 7.22 H new ATOM 0 HE22 GLN A 172 -4.433 5.738 -8.836 1.00 7.22 H new ATOM 266 N MET A 173 0.329 1.513 -5.582 1.00 5.33 N ATOM 267 CA MET A 173 1.012 1.321 -4.306 1.00 5.03 C ATOM 268 C MET A 173 1.979 0.144 -4.366 1.00 5.21 C ATOM 269 O MET A 173 2.545 -0.252 -3.348 1.00 5.01 O ATOM 270 CB MET A 173 -0.004 1.095 -3.187 1.00 4.54 C ATOM 271 CG MET A 173 -0.911 2.283 -2.934 1.00 4.49 C ATOM 272 SD MET A 173 -1.351 2.463 -1.197 1.00 4.57 S ATOM 273 CE MET A 173 0.205 3.031 -0.514 1.00 4.49 C ATOM 0 H MET A 173 -0.466 0.893 -5.734 1.00 5.33 H new ATOM 0 HA MET A 173 1.584 2.225 -4.098 1.00 5.03 H new ATOM 0 HB2 MET A 173 -0.617 0.228 -3.435 1.00 4.54 H new ATOM 0 HB3 MET A 173 0.530 0.855 -2.267 1.00 4.54 H new ATOM 0 HG2 MET A 173 -0.416 3.192 -3.275 1.00 4.49 H new ATOM 0 HG3 MET A 173 -1.820 2.174 -3.526 1.00 4.49 H new ATOM 0 HE1 MET A 173 0.506 2.373 0.301 1.00 4.49 H new ATOM 0 HE2 MET A 173 0.969 3.019 -1.291 1.00 4.49 H new ATOM 0 HE3 MET A 173 0.087 4.047 -0.136 1.00 4.49 H new ATOM 283 N LYS A 174 2.182 -0.394 -5.561 1.00 5.68 N ATOM 284 CA LYS A 174 3.070 -1.535 -5.744 1.00 6.02 C ATOM 285 C LYS A 174 4.520 -1.122 -5.560 1.00 6.49 C ATOM 286 O LYS A 174 5.201 -1.577 -4.646 1.00 6.55 O ATOM 287 CB LYS A 174 2.871 -2.163 -7.123 1.00 6.45 C ATOM 288 CG LYS A 174 1.659 -3.073 -7.196 1.00 6.44 C ATOM 289 CD LYS A 174 1.486 -3.667 -8.584 1.00 6.92 C ATOM 290 CE LYS A 174 0.373 -4.703 -8.604 1.00 7.15 C ATOM 291 NZ LYS A 174 0.073 -5.177 -9.983 1.00 7.76 N1+ ATOM 0 H LYS A 174 1.744 -0.059 -6.419 1.00 5.68 H new ATOM 0 HA LYS A 174 2.822 -2.279 -4.987 1.00 6.02 H new ATOM 0 HB2 LYS A 174 2.768 -1.371 -7.864 1.00 6.45 H new ATOM 0 HB3 LYS A 174 3.762 -2.733 -7.388 1.00 6.45 H new ATOM 0 HG2 LYS A 174 1.762 -3.876 -6.467 1.00 6.44 H new ATOM 0 HG3 LYS A 174 0.765 -2.511 -6.927 1.00 6.44 H new ATOM 0 HD2 LYS A 174 1.261 -2.873 -9.296 1.00 6.92 H new ATOM 0 HD3 LYS A 174 2.421 -4.127 -8.905 1.00 6.92 H new ATOM 0 HE2 LYS A 174 0.658 -5.552 -7.983 1.00 7.15 H new ATOM 0 HE3 LYS A 174 -0.528 -4.275 -8.164 1.00 7.15 H new ATOM 0 HZ1 LYS A 174 -0.552 -6.007 -9.937 1.00 7.76 H new ATOM 0 HZ2 LYS A 174 -0.398 -4.418 -10.516 1.00 7.76 H new ATOM 0 HZ3 LYS A 174 0.959 -5.437 -10.461 1.00 7.76 H new ATOM 305 N VAL A 175 4.989 -0.256 -6.435 1.00 6.90 N ATOM 306 CA VAL A 175 6.348 0.218 -6.355 1.00 7.46 C ATOM 307 C VAL A 175 6.351 1.654 -5.869 1.00 7.44 C ATOM 308 O VAL A 175 6.424 2.597 -6.657 1.00 7.78 O ATOM 309 CB VAL A 175 7.071 0.138 -7.711 1.00 8.18 C ATOM 310 CG1 VAL A 175 8.574 0.250 -7.519 1.00 8.62 C ATOM 311 CG2 VAL A 175 6.715 -1.146 -8.445 1.00 8.33 C ATOM 0 H VAL A 175 4.447 0.131 -7.207 1.00 6.90 H new ATOM 0 HA VAL A 175 6.883 -0.425 -5.656 1.00 7.46 H new ATOM 0 HB VAL A 175 6.738 0.976 -8.323 1.00 8.18 H new ATOM 0 HG11 VAL A 175 9.070 0.192 -8.488 1.00 8.62 H new ATOM 0 HG12 VAL A 175 8.810 1.204 -7.047 1.00 8.62 H new ATOM 0 HG13 VAL A 175 8.921 -0.565 -6.884 1.00 8.62 H new ATOM 0 HG21 VAL A 175 7.240 -1.177 -9.400 1.00 8.33 H new ATOM 0 HG22 VAL A 175 7.010 -2.004 -7.841 1.00 8.33 H new ATOM 0 HG23 VAL A 175 5.640 -1.179 -8.621 1.00 8.33 H new ATOM 321 N ALA A 176 6.256 1.807 -4.568 1.00 7.10 N ATOM 322 CA ALA A 176 6.248 3.119 -3.956 1.00 7.14 C ATOM 323 C ALA A 176 7.239 3.183 -2.802 1.00 7.24 C ATOM 324 O ALA A 176 7.431 2.201 -2.090 1.00 6.92 O ATOM 325 CB ALA A 176 4.841 3.459 -3.487 1.00 6.59 C ATOM 0 H ALA A 176 6.183 1.033 -3.907 1.00 7.10 H new ATOM 0 HA ALA A 176 6.557 3.857 -4.697 1.00 7.14 H new ATOM 0 HB1 ALA A 176 4.840 4.447 -3.027 1.00 6.59 H new ATOM 0 HB2 ALA A 176 4.162 3.455 -4.340 1.00 6.59 H new ATOM 0 HB3 ALA A 176 4.512 2.719 -2.758 1.00 6.59 H new ATOM 331 N PRO A 177 7.938 4.311 -2.650 1.00 7.75 N ATOM 332 CA PRO A 177 8.898 4.504 -1.572 1.00 7.96 C ATOM 333 C PRO A 177 8.242 4.977 -0.278 1.00 7.58 C ATOM 334 O PRO A 177 7.411 5.891 -0.283 1.00 7.42 O ATOM 335 CB PRO A 177 9.823 5.574 -2.133 1.00 8.76 C ATOM 336 CG PRO A 177 8.965 6.393 -3.029 1.00 8.86 C ATOM 337 CD PRO A 177 7.864 5.493 -3.532 1.00 8.23 C ATOM 0 HA PRO A 177 9.404 3.578 -1.298 1.00 7.96 H new ATOM 0 HB2 PRO A 177 10.254 6.181 -1.336 1.00 8.76 H new ATOM 0 HB3 PRO A 177 10.654 5.130 -2.680 1.00 8.76 H new ATOM 0 HG2 PRO A 177 8.550 7.246 -2.492 1.00 8.86 H new ATOM 0 HG3 PRO A 177 9.546 6.792 -3.860 1.00 8.86 H new ATOM 0 HD2 PRO A 177 6.890 5.979 -3.467 1.00 8.23 H new ATOM 0 HD3 PRO A 177 8.016 5.222 -4.577 1.00 8.23 H new ATOM 345 N ILE A 178 8.618 4.349 0.820 1.00 7.53 N ATOM 346 CA ILE A 178 8.097 4.704 2.125 1.00 7.29 C ATOM 347 C ILE A 178 8.786 5.963 2.634 1.00 7.90 C ATOM 348 O ILE A 178 10.017 6.053 2.611 1.00 8.45 O ATOM 349 CB ILE A 178 8.321 3.563 3.138 1.00 7.03 C ATOM 350 CG1 ILE A 178 7.849 2.236 2.544 1.00 6.56 C ATOM 351 CG2 ILE A 178 7.605 3.847 4.451 1.00 6.79 C ATOM 352 CD1 ILE A 178 8.878 1.132 2.642 1.00 6.69 C ATOM 0 H ILE A 178 9.290 3.582 0.832 1.00 7.53 H new ATOM 0 HA ILE A 178 7.026 4.881 2.024 1.00 7.29 H new ATOM 0 HB ILE A 178 9.388 3.496 3.349 1.00 7.03 H new ATOM 0 HG12 ILE A 178 6.940 1.921 3.056 1.00 6.56 H new ATOM 0 HG13 ILE A 178 7.589 2.388 1.496 1.00 6.56 H new ATOM 0 HG21 ILE A 178 7.780 3.026 5.146 1.00 6.79 H new ATOM 0 HG22 ILE A 178 7.986 4.774 4.880 1.00 6.79 H new ATOM 0 HG23 ILE A 178 6.535 3.945 4.268 1.00 6.79 H new ATOM 0 HD11 ILE A 178 8.476 0.220 2.201 1.00 6.69 H new ATOM 0 HD12 ILE A 178 9.780 1.427 2.106 1.00 6.69 H new ATOM 0 HD13 ILE A 178 9.121 0.953 3.689 1.00 6.69 H new ATOM 364 N PRO A 179 8.007 6.966 3.072 1.00 7.89 N ATOM 365 CA PRO A 179 8.560 8.212 3.597 1.00 8.51 C ATOM 366 C PRO A 179 9.358 7.973 4.872 1.00 8.75 C ATOM 367 O PRO A 179 9.086 7.028 5.620 1.00 8.38 O ATOM 368 CB PRO A 179 7.325 9.071 3.881 1.00 8.36 C ATOM 369 CG PRO A 179 6.206 8.104 4.009 1.00 7.74 C ATOM 370 CD PRO A 179 6.536 6.968 3.083 1.00 7.36 C ATOM 0 HA PRO A 179 9.254 8.683 2.901 1.00 8.51 H new ATOM 0 HB2 PRO A 179 7.450 9.653 4.794 1.00 8.36 H new ATOM 0 HB3 PRO A 179 7.143 9.780 3.074 1.00 8.36 H new ATOM 0 HG2 PRO A 179 6.108 7.754 5.037 1.00 7.74 H new ATOM 0 HG3 PRO A 179 5.257 8.566 3.737 1.00 7.74 H new ATOM 0 HD2 PRO A 179 6.134 6.022 3.446 1.00 7.36 H new ATOM 0 HD3 PRO A 179 6.125 7.128 2.086 1.00 7.36 H new ATOM 378 N LYS A 180 10.319 8.843 5.126 1.00 9.42 N ATOM 379 CA LYS A 180 11.187 8.728 6.292 1.00 9.77 C ATOM 380 C LYS A 180 10.387 8.717 7.591 1.00 9.52 C ATOM 381 O LYS A 180 10.740 8.012 8.535 1.00 9.52 O ATOM 382 CB LYS A 180 12.203 9.868 6.305 1.00 10.55 C ATOM 383 CG LYS A 180 13.645 9.391 6.263 1.00 10.96 C ATOM 384 CD LYS A 180 14.047 8.710 7.560 1.00 11.55 C ATOM 385 CE LYS A 180 15.447 8.123 7.470 1.00 12.03 C ATOM 386 NZ LYS A 180 15.916 7.598 8.778 1.00 12.47 N1+ ATOM 0 H LYS A 180 10.522 9.648 4.534 1.00 9.42 H new ATOM 0 HA LYS A 180 11.715 7.777 6.222 1.00 9.77 H new ATOM 0 HB2 LYS A 180 12.018 10.519 5.451 1.00 10.55 H new ATOM 0 HB3 LYS A 180 12.053 10.469 7.202 1.00 10.55 H new ATOM 0 HG2 LYS A 180 13.775 8.698 5.432 1.00 10.96 H new ATOM 0 HG3 LYS A 180 14.304 10.239 6.077 1.00 10.96 H new ATOM 0 HD2 LYS A 180 14.005 9.429 8.378 1.00 11.55 H new ATOM 0 HD3 LYS A 180 13.334 7.919 7.793 1.00 11.55 H new ATOM 0 HE2 LYS A 180 15.457 7.320 6.733 1.00 12.03 H new ATOM 0 HE3 LYS A 180 16.139 8.888 7.117 1.00 12.03 H new ATOM 0 HZ1 LYS A 180 16.459 6.724 8.627 1.00 12.47 H new ATOM 0 HZ2 LYS A 180 16.521 8.307 9.240 1.00 12.47 H new ATOM 0 HZ3 LYS A 180 15.096 7.395 9.385 1.00 12.47 H new ATOM 400 N GLN A 181 9.303 9.483 7.624 1.00 9.38 N ATOM 401 CA GLN A 181 8.450 9.552 8.806 1.00 9.25 C ATOM 402 C GLN A 181 7.906 8.169 9.166 1.00 8.64 C ATOM 403 O GLN A 181 7.921 7.765 10.329 1.00 8.66 O ATOM 404 CB GLN A 181 7.287 10.518 8.569 1.00 9.25 C ATOM 405 CG GLN A 181 6.385 10.697 9.781 1.00 9.84 C ATOM 406 CD GLN A 181 5.125 11.475 9.456 1.00 9.79 C ATOM 407 OE1 GLN A 181 4.107 10.897 9.072 1.00 9.75 O ATOM 408 NE2 GLN A 181 5.181 12.790 9.612 1.00 9.99 N ATOM 0 H GLN A 181 8.993 10.065 6.846 1.00 9.38 H new ATOM 0 HA GLN A 181 9.055 9.917 9.636 1.00 9.25 H new ATOM 0 HB2 GLN A 181 7.687 11.489 8.278 1.00 9.25 H new ATOM 0 HB3 GLN A 181 6.689 10.155 7.733 1.00 9.25 H new ATOM 0 HG2 GLN A 181 6.112 9.718 10.175 1.00 9.84 H new ATOM 0 HG3 GLN A 181 6.936 11.215 10.567 1.00 9.84 H new ATOM 0 HE21 GLN A 181 6.044 13.229 9.932 1.00 9.99 H new ATOM 0 HE22 GLN A 181 4.361 13.363 9.412 1.00 9.99 H new ATOM 417 N LEU A 182 7.455 7.436 8.155 1.00 8.14 N ATOM 418 CA LEU A 182 6.907 6.108 8.369 1.00 7.55 C ATOM 419 C LEU A 182 8.019 5.084 8.556 1.00 7.61 C ATOM 420 O LEU A 182 7.835 4.076 9.238 1.00 7.33 O ATOM 421 CB LEU A 182 6.001 5.708 7.206 1.00 6.99 C ATOM 422 CG LEU A 182 4.656 6.445 7.139 1.00 6.82 C ATOM 423 CD1 LEU A 182 3.817 5.934 5.975 1.00 6.67 C ATOM 424 CD2 LEU A 182 3.896 6.295 8.447 1.00 6.66 C ATOM 0 H LEU A 182 7.459 7.741 7.182 1.00 8.14 H new ATOM 0 HA LEU A 182 6.310 6.131 9.281 1.00 7.55 H new ATOM 0 HB2 LEU A 182 6.538 5.880 6.273 1.00 6.99 H new ATOM 0 HB3 LEU A 182 5.807 4.637 7.270 1.00 6.99 H new ATOM 0 HG LEU A 182 4.858 7.504 6.977 1.00 6.82 H new ATOM 0 HD11 LEU A 182 2.869 6.470 5.947 1.00 6.67 H new ATOM 0 HD12 LEU A 182 4.354 6.097 5.040 1.00 6.67 H new ATOM 0 HD13 LEU A 182 3.627 4.868 6.103 1.00 6.67 H new ATOM 0 HD21 LEU A 182 2.946 6.825 8.378 1.00 6.66 H new ATOM 0 HD22 LEU A 182 3.710 5.239 8.640 1.00 6.66 H new ATOM 0 HD23 LEU A 182 4.487 6.714 9.261 1.00 6.66 H new ATOM 436 N LEU A 183 9.181 5.355 7.963 1.00 8.04 N ATOM 437 CA LEU A 183 10.326 4.457 8.074 1.00 8.24 C ATOM 438 C LEU A 183 10.838 4.406 9.509 1.00 8.55 C ATOM 439 O LEU A 183 11.422 3.410 9.937 1.00 8.54 O ATOM 440 CB LEU A 183 11.454 4.895 7.138 1.00 8.80 C ATOM 441 CG LEU A 183 11.375 4.344 5.710 1.00 8.62 C ATOM 442 CD1 LEU A 183 12.432 4.988 4.828 1.00 9.31 C ATOM 443 CD2 LEU A 183 11.534 2.831 5.713 1.00 8.25 C ATOM 0 H LEU A 183 9.353 6.189 7.401 1.00 8.04 H new ATOM 0 HA LEU A 183 9.995 3.460 7.783 1.00 8.24 H new ATOM 0 HB2 LEU A 183 11.460 5.984 7.089 1.00 8.80 H new ATOM 0 HB3 LEU A 183 12.405 4.590 7.575 1.00 8.80 H new ATOM 0 HG LEU A 183 10.394 4.587 5.303 1.00 8.62 H new ATOM 0 HD11 LEU A 183 12.359 4.583 3.818 1.00 9.31 H new ATOM 0 HD12 LEU A 183 12.274 6.066 4.799 1.00 9.31 H new ATOM 0 HD13 LEU A 183 13.422 4.777 5.233 1.00 9.31 H new ATOM 0 HD21 LEU A 183 11.475 2.457 4.691 1.00 8.25 H new ATOM 0 HD22 LEU A 183 12.501 2.568 6.141 1.00 8.25 H new ATOM 0 HD23 LEU A 183 10.739 2.383 6.310 1.00 8.25 H new ATOM 455 N GLN A 184 10.606 5.481 10.256 1.00 8.87 N ATOM 456 CA GLN A 184 11.038 5.557 11.648 1.00 9.25 C ATOM 457 C GLN A 184 10.170 4.671 12.539 1.00 8.85 C ATOM 458 O GLN A 184 10.459 4.488 13.723 1.00 9.14 O ATOM 459 CB GLN A 184 10.996 7.002 12.153 1.00 9.76 C ATOM 460 CG GLN A 184 11.981 7.932 11.457 1.00 10.33 C ATOM 461 CD GLN A 184 13.372 7.338 11.336 1.00 10.90 C ATOM 462 OE1 GLN A 184 13.724 6.760 10.307 1.00 11.17 O ATOM 463 NE2 GLN A 184 14.168 7.471 12.382 1.00 11.29 N ATOM 0 H GLN A 184 10.121 6.313 9.920 1.00 8.87 H new ATOM 0 HA GLN A 184 12.066 5.198 11.695 1.00 9.25 H new ATOM 0 HB2 GLN A 184 9.987 7.393 12.020 1.00 9.76 H new ATOM 0 HB3 GLN A 184 11.201 7.008 13.223 1.00 9.76 H new ATOM 0 HG2 GLN A 184 11.606 8.171 10.462 1.00 10.33 H new ATOM 0 HG3 GLN A 184 12.039 8.870 12.009 1.00 10.33 H new ATOM 0 HE21 GLN A 184 13.838 7.957 13.216 1.00 11.29 H new ATOM 0 HE22 GLN A 184 15.113 7.088 12.356 1.00 11.29 H new ATOM 472 N ARG A 185 9.107 4.121 11.968 1.00 8.24 N ATOM 473 CA ARG A 185 8.205 3.252 12.708 1.00 7.89 C ATOM 474 C ARG A 185 8.703 1.810 12.680 1.00 7.66 C ATOM 475 O ARG A 185 8.226 0.965 13.436 1.00 7.54 O ATOM 476 CB ARG A 185 6.788 3.325 12.128 1.00 7.40 C ATOM 477 CG ARG A 185 5.895 4.372 12.783 1.00 7.66 C ATOM 478 CD ARG A 185 6.314 5.792 12.427 1.00 7.53 C ATOM 479 NE ARG A 185 5.248 6.760 12.696 1.00 7.91 N ATOM 480 CZ ARG A 185 5.451 8.067 12.891 1.00 8.28 C ATOM 481 NH1 ARG A 185 6.676 8.578 12.825 1.00 8.35 N1+ ATOM 482 NH2 ARG A 185 4.424 8.867 13.134 1.00 8.81 N ATOM 0 H ARG A 185 8.848 4.262 10.991 1.00 8.24 H new ATOM 0 HA ARG A 185 8.180 3.595 13.742 1.00 7.89 H new ATOM 0 HB2 ARG A 185 6.855 3.538 11.061 1.00 7.40 H new ATOM 0 HB3 ARG A 185 6.316 2.348 12.229 1.00 7.40 H new ATOM 0 HG2 ARG A 185 4.863 4.211 12.473 1.00 7.66 H new ATOM 0 HG3 ARG A 185 5.926 4.247 13.865 1.00 7.66 H new ATOM 0 HD2 ARG A 185 7.202 6.062 12.998 1.00 7.53 H new ATOM 0 HD3 ARG A 185 6.587 5.836 11.373 1.00 7.53 H new ATOM 0 HE ARG A 185 4.289 6.415 12.737 1.00 7.91 H new ATOM 0 HH11 ARG A 185 7.471 7.972 12.624 1.00 8.35 H new ATOM 0 HH12 ARG A 185 6.821 9.576 12.975 1.00 8.35 H new ATOM 0 HH21 ARG A 185 3.479 8.486 13.172 1.00 8.81 H new ATOM 0 HH22 ARG A 185 4.578 9.864 13.283 1.00 8.81 H new ATOM 496 N ILE A 186 9.671 1.539 11.812 1.00 7.69 N ATOM 497 CA ILE A 186 10.234 0.202 11.678 1.00 7.57 C ATOM 498 C ILE A 186 11.725 0.205 12.001 1.00 8.20 C ATOM 499 O ILE A 186 12.559 0.417 11.124 1.00 8.43 O ATOM 500 CB ILE A 186 10.023 -0.365 10.253 1.00 7.11 C ATOM 501 CG1 ILE A 186 9.524 0.733 9.302 1.00 6.84 C ATOM 502 CG2 ILE A 186 9.045 -1.530 10.290 1.00 6.83 C ATOM 503 CD1 ILE A 186 9.390 0.282 7.864 1.00 6.52 C ATOM 0 H ILE A 186 10.084 2.232 11.188 1.00 7.69 H new ATOM 0 HA ILE A 186 9.710 -0.436 12.389 1.00 7.57 H new ATOM 0 HB ILE A 186 10.980 -0.728 9.878 1.00 7.11 H new ATOM 0 HG12 ILE A 186 8.556 1.091 9.652 1.00 6.84 H new ATOM 0 HG13 ILE A 186 10.211 1.578 9.345 1.00 6.84 H new ATOM 0 HG21 ILE A 186 8.905 -1.920 9.282 1.00 6.83 H new ATOM 0 HG22 ILE A 186 9.441 -2.317 10.932 1.00 6.83 H new ATOM 0 HG23 ILE A 186 8.087 -1.189 10.683 1.00 6.83 H new ATOM 0 HD11 ILE A 186 9.033 1.112 7.254 1.00 6.52 H new ATOM 0 HD12 ILE A 186 10.361 -0.049 7.494 1.00 6.52 H new ATOM 0 HD13 ILE A 186 8.680 -0.543 7.806 1.00 6.52 H new ATOM 515 N PRO A 187 12.075 -0.001 13.283 1.00 8.55 N ATOM 516 CA PRO A 187 13.456 -0.022 13.745 1.00 9.18 C ATOM 517 C PRO A 187 14.025 -1.440 13.850 1.00 9.19 C ATOM 518 O PRO A 187 13.381 -2.407 13.435 1.00 8.73 O ATOM 519 CB PRO A 187 13.317 0.609 15.130 1.00 9.56 C ATOM 520 CG PRO A 187 11.967 0.192 15.621 1.00 9.11 C ATOM 521 CD PRO A 187 11.153 -0.214 14.411 1.00 8.45 C ATOM 0 HA PRO A 187 14.142 0.490 13.070 1.00 9.18 H new ATOM 0 HB2 PRO A 187 14.103 0.263 15.801 1.00 9.56 H new ATOM 0 HB3 PRO A 187 13.398 1.695 15.077 1.00 9.56 H new ATOM 0 HG2 PRO A 187 12.053 -0.638 16.322 1.00 9.11 H new ATOM 0 HG3 PRO A 187 11.482 1.010 16.153 1.00 9.11 H new ATOM 0 HD2 PRO A 187 10.832 -1.254 14.475 1.00 8.45 H new ATOM 0 HD3 PRO A 187 10.253 0.392 14.312 1.00 8.45 H new ATOM 529 N ASN A 188 15.246 -1.532 14.378 1.00 9.77 N ATOM 530 CA ASN A 188 15.970 -2.800 14.584 1.00 9.94 C ATOM 531 C ASN A 188 16.438 -3.435 13.274 1.00 9.83 C ATOM 532 O ASN A 188 17.402 -4.203 13.264 1.00 9.99 O ATOM 533 CB ASN A 188 15.110 -3.808 15.359 1.00 9.66 C ATOM 534 CG ASN A 188 15.101 -3.555 16.854 1.00 9.91 C ATOM 535 OD1 ASN A 188 15.193 -2.413 17.310 1.00 10.35 O ATOM 536 ND2 ASN A 188 14.979 -4.620 17.625 1.00 9.83 N ATOM 0 H ASN A 188 15.775 -0.715 14.682 1.00 9.77 H new ATOM 0 HA ASN A 188 16.855 -2.548 15.168 1.00 9.94 H new ATOM 0 HB2 ASN A 188 14.087 -3.769 14.984 1.00 9.66 H new ATOM 0 HB3 ASN A 188 15.481 -4.815 15.169 1.00 9.66 H new ATOM 0 HD21 ASN A 188 14.958 -4.516 18.639 1.00 9.83 H new ATOM 0 HD22 ASN A 188 14.906 -5.547 17.206 1.00 9.83 H new ATOM 543 N ILE A 189 15.800 -3.082 12.173 1.00 9.66 N ATOM 544 CA ILE A 189 16.161 -3.625 10.873 1.00 9.64 C ATOM 545 C ILE A 189 16.598 -2.507 9.937 1.00 9.96 C ATOM 546 O ILE A 189 15.907 -1.494 9.802 1.00 9.97 O ATOM 547 CB ILE A 189 14.984 -4.402 10.228 1.00 9.24 C ATOM 548 CG1 ILE A 189 13.706 -3.551 10.250 1.00 9.23 C ATOM 549 CG2 ILE A 189 14.774 -5.736 10.944 1.00 9.06 C ATOM 550 CD1 ILE A 189 12.585 -4.090 9.380 1.00 9.09 C ATOM 0 H ILE A 189 15.025 -2.419 12.152 1.00 9.66 H new ATOM 0 HA ILE A 189 16.986 -4.320 11.030 1.00 9.64 H new ATOM 0 HB ILE A 189 15.228 -4.613 9.187 1.00 9.24 H new ATOM 0 HG12 ILE A 189 13.350 -3.477 11.278 1.00 9.23 H new ATOM 0 HG13 ILE A 189 13.950 -2.540 9.924 1.00 9.23 H new ATOM 0 HG21 ILE A 189 13.945 -6.271 10.481 1.00 9.06 H new ATOM 0 HG22 ILE A 189 15.681 -6.336 10.868 1.00 9.06 H new ATOM 0 HG23 ILE A 189 14.547 -5.553 11.994 1.00 9.06 H new ATOM 0 HD11 ILE A 189 11.720 -3.431 9.452 1.00 9.09 H new ATOM 0 HD12 ILE A 189 12.920 -4.138 8.344 1.00 9.09 H new ATOM 0 HD13 ILE A 189 12.310 -5.089 9.719 1.00 9.09 H new ATOM 562 N PRO A 190 17.781 -2.650 9.320 1.00 10.38 N ATOM 563 CA PRO A 190 18.304 -1.656 8.380 1.00 10.85 C ATOM 564 C PRO A 190 17.674 -1.794 7.000 1.00 10.73 C ATOM 565 O PRO A 190 17.931 -2.768 6.286 1.00 11.03 O ATOM 566 CB PRO A 190 19.791 -1.994 8.316 1.00 11.43 C ATOM 567 CG PRO A 190 19.865 -3.453 8.581 1.00 11.22 C ATOM 568 CD PRO A 190 18.722 -3.775 9.512 1.00 10.57 C ATOM 0 HA PRO A 190 18.094 -0.634 8.696 1.00 10.85 H new ATOM 0 HB2 PRO A 190 20.210 -1.748 7.340 1.00 11.43 H new ATOM 0 HB3 PRO A 190 20.356 -1.429 9.057 1.00 11.43 H new ATOM 0 HG2 PRO A 190 19.783 -4.021 7.654 1.00 11.22 H new ATOM 0 HG3 PRO A 190 20.821 -3.718 9.033 1.00 11.22 H new ATOM 0 HD2 PRO A 190 18.260 -4.730 9.262 1.00 10.57 H new ATOM 0 HD3 PRO A 190 19.057 -3.844 10.547 1.00 10.57 H new ATOM 576 N PRO A 191 16.839 -0.826 6.594 1.00 10.37 N ATOM 577 CA PRO A 191 16.178 -0.874 5.291 1.00 10.30 C ATOM 578 C PRO A 191 17.154 -0.630 4.145 1.00 10.68 C ATOM 579 O PRO A 191 17.233 -1.426 3.207 1.00 10.94 O ATOM 580 CB PRO A 191 15.142 0.255 5.361 1.00 9.89 C ATOM 581 CG PRO A 191 15.129 0.727 6.780 1.00 9.82 C ATOM 582 CD PRO A 191 16.468 0.374 7.356 1.00 10.13 C ATOM 0 HA PRO A 191 15.739 -1.852 5.096 1.00 10.30 H new ATOM 0 HB2 PRO A 191 15.406 1.067 4.684 1.00 9.89 H new ATOM 0 HB3 PRO A 191 14.157 -0.102 5.061 1.00 9.89 H new ATOM 0 HG2 PRO A 191 14.956 1.802 6.830 1.00 9.82 H new ATOM 0 HG3 PRO A 191 14.326 0.248 7.341 1.00 9.82 H new ATOM 0 HD2 PRO A 191 17.191 1.178 7.223 1.00 10.13 H new ATOM 0 HD3 PRO A 191 16.409 0.173 8.426 1.00 10.13 H new ATOM 590 N ASN A 192 17.918 0.454 4.255 1.00 10.83 N ATOM 591 CA ASN A 192 18.922 0.828 3.251 1.00 11.33 C ATOM 592 C ASN A 192 18.299 1.151 1.882 1.00 11.24 C ATOM 593 O ASN A 192 19.011 1.241 0.880 1.00 11.75 O ATOM 594 CB ASN A 192 19.956 -0.290 3.095 1.00 11.90 C ATOM 595 CG ASN A 192 21.362 0.242 2.901 1.00 12.46 C ATOM 596 OD1 ASN A 192 21.562 1.345 2.395 1.00 12.68 O ATOM 597 ND2 ASN A 192 22.352 -0.540 3.308 1.00 12.84 N ATOM 0 H ASN A 192 17.862 1.101 5.042 1.00 10.83 H new ATOM 0 HA ASN A 192 19.406 1.736 3.612 1.00 11.33 H new ATOM 0 HB2 ASN A 192 19.931 -0.929 3.978 1.00 11.90 H new ATOM 0 HB3 ASN A 192 19.686 -0.914 2.243 1.00 11.90 H new ATOM 0 HD21 ASN A 192 23.319 -0.233 3.206 1.00 12.84 H new ATOM 0 HD22 ASN A 192 22.146 -1.449 3.723 1.00 12.84 H new ATOM 604 N ILE A 193 16.984 1.360 1.856 1.00 10.63 N ATOM 605 CA ILE A 193 16.266 1.689 0.619 1.00 10.51 C ATOM 606 C ILE A 193 14.958 2.403 0.941 1.00 9.90 C ATOM 607 O ILE A 193 14.676 2.692 2.105 1.00 9.52 O ATOM 608 CB ILE A 193 15.959 0.446 -0.254 1.00 10.37 C ATOM 609 CG1 ILE A 193 15.919 -0.836 0.580 1.00 10.58 C ATOM 610 CG2 ILE A 193 16.979 0.322 -1.377 1.00 10.81 C ATOM 611 CD1 ILE A 193 14.637 -1.020 1.362 1.00 10.26 C ATOM 0 H ILE A 193 16.388 1.308 2.682 1.00 10.63 H new ATOM 0 HA ILE A 193 16.927 2.340 0.047 1.00 10.51 H new ATOM 0 HB ILE A 193 14.969 0.584 -0.690 1.00 10.37 H new ATOM 0 HG12 ILE A 193 16.056 -1.692 -0.081 1.00 10.58 H new ATOM 0 HG13 ILE A 193 16.759 -0.832 1.274 1.00 10.58 H new ATOM 0 HG21 ILE A 193 16.750 -0.556 -1.981 1.00 10.81 H new ATOM 0 HG22 ILE A 193 16.941 1.214 -2.003 1.00 10.81 H new ATOM 0 HG23 ILE A 193 17.977 0.219 -0.952 1.00 10.81 H new ATOM 0 HD11 ILE A 193 14.686 -1.951 1.927 1.00 10.26 H new ATOM 0 HD12 ILE A 193 14.507 -0.184 2.050 1.00 10.26 H new ATOM 0 HD13 ILE A 193 13.793 -1.058 0.673 1.00 10.26 H new ATOM 623 N ASN A 194 14.156 2.681 -0.080 1.00 9.87 N ATOM 624 CA ASN A 194 12.889 3.378 0.127 1.00 9.35 C ATOM 625 C ASN A 194 11.732 2.728 -0.633 1.00 8.86 C ATOM 626 O ASN A 194 10.630 2.607 -0.101 1.00 8.57 O ATOM 627 CB ASN A 194 13.006 4.846 -0.304 1.00 9.78 C ATOM 628 CG ASN A 194 13.839 5.685 0.649 1.00 10.10 C ATOM 629 OD1 ASN A 194 15.041 5.863 0.443 1.00 10.43 O ATOM 630 ND2 ASN A 194 13.213 6.219 1.689 1.00 10.17 N ATOM 0 H ASN A 194 14.356 2.438 -1.050 1.00 9.87 H new ATOM 0 HA ASN A 194 12.672 3.315 1.193 1.00 9.35 H new ATOM 0 HB2 ASN A 194 13.448 4.892 -1.299 1.00 9.78 H new ATOM 0 HB3 ASN A 194 12.007 5.277 -0.379 1.00 9.78 H new ATOM 0 HD21 ASN A 194 13.728 6.799 2.351 1.00 10.17 H new ATOM 0 HD22 ASN A 194 12.217 6.049 1.827 1.00 10.17 H new ATOM 637 N THR A 195 11.982 2.290 -1.865 1.00 8.88 N ATOM 638 CA THR A 195 10.932 1.706 -2.692 1.00 8.49 C ATOM 639 C THR A 195 10.546 0.309 -2.215 1.00 7.92 C ATOM 640 O THR A 195 11.415 -0.521 -1.954 1.00 8.08 O ATOM 641 CB THR A 195 11.395 1.634 -4.159 1.00 9.05 C ATOM 642 OG1 THR A 195 12.742 2.114 -4.261 1.00 9.80 O ATOM 643 CG2 THR A 195 10.491 2.465 -5.052 1.00 8.98 C ATOM 0 H THR A 195 12.899 2.329 -2.310 1.00 8.88 H new ATOM 0 HA THR A 195 10.055 2.348 -2.609 1.00 8.49 H new ATOM 0 HB THR A 195 11.346 0.596 -4.487 1.00 9.05 H new ATOM 0 HG1 THR A 195 12.982 2.217 -5.206 1.00 9.80 H new ATOM 0 HG21 THR A 195 10.838 2.399 -6.083 1.00 8.98 H new ATOM 0 HG22 THR A 195 9.470 2.089 -4.987 1.00 8.98 H new ATOM 0 HG23 THR A 195 10.515 3.505 -4.727 1.00 8.98 H new ATOM 651 N TRP A 196 9.231 0.060 -2.153 1.00 7.29 N ATOM 652 CA TRP A 196 8.674 -1.221 -1.702 1.00 6.73 C ATOM 653 C TRP A 196 9.318 -2.418 -2.396 1.00 7.00 C ATOM 654 O TRP A 196 9.606 -3.422 -1.754 1.00 6.84 O ATOM 655 CB TRP A 196 7.158 -1.257 -1.930 1.00 6.14 C ATOM 656 CG TRP A 196 6.357 -0.686 -0.798 1.00 5.65 C ATOM 657 CD1 TRP A 196 5.481 0.358 -0.861 1.00 5.54 C ATOM 658 CD2 TRP A 196 6.348 -1.135 0.563 1.00 5.33 C ATOM 659 NE1 TRP A 196 4.933 0.594 0.378 1.00 5.20 N ATOM 660 CE2 TRP A 196 5.446 -0.313 1.267 1.00 5.06 C ATOM 661 CE3 TRP A 196 7.011 -2.154 1.252 1.00 5.33 C ATOM 662 CZ2 TRP A 196 5.198 -0.477 2.627 1.00 4.84 C ATOM 663 CZ3 TRP A 196 6.763 -2.315 2.603 1.00 5.05 C ATOM 664 CH2 TRP A 196 5.861 -1.483 3.276 1.00 4.82 C ATOM 0 H TRP A 196 8.522 0.744 -2.415 1.00 7.29 H new ATOM 0 HA TRP A 196 8.893 -1.297 -0.637 1.00 6.73 H new ATOM 0 HB2 TRP A 196 6.925 -0.706 -2.841 1.00 6.14 H new ATOM 0 HB3 TRP A 196 6.850 -2.290 -2.095 1.00 6.14 H new ATOM 0 HD1 TRP A 196 5.251 0.918 -1.755 1.00 5.54 H new ATOM 0 HE1 TRP A 196 4.256 1.324 0.599 1.00 5.20 H new ATOM 0 HE3 TRP A 196 7.704 -2.804 0.739 1.00 5.33 H new ATOM 0 HZ2 TRP A 196 4.507 0.167 3.151 1.00 4.84 H new ATOM 0 HZ3 TRP A 196 7.274 -3.095 3.148 1.00 5.05 H new ATOM 0 HH2 TRP A 196 5.684 -1.638 4.330 1.00 4.82 H new ATOM 675 N GLN A 197 9.543 -2.297 -3.701 1.00 7.47 N ATOM 676 CA GLN A 197 10.151 -3.369 -4.490 1.00 7.85 C ATOM 677 C GLN A 197 11.490 -3.802 -3.894 1.00 8.27 C ATOM 678 O GLN A 197 11.831 -4.984 -3.888 1.00 8.37 O ATOM 679 CB GLN A 197 10.332 -2.904 -5.940 1.00 8.38 C ATOM 680 CG GLN A 197 10.965 -3.946 -6.850 1.00 8.33 C ATOM 681 CD GLN A 197 10.940 -3.538 -8.311 1.00 8.43 C ATOM 682 OE1 GLN A 197 11.852 -2.871 -8.798 1.00 8.59 O ATOM 683 NE2 GLN A 197 9.895 -3.934 -9.021 1.00 8.60 N ATOM 0 H GLN A 197 9.312 -1.462 -4.239 1.00 7.47 H new ATOM 0 HA GLN A 197 9.487 -4.233 -4.471 1.00 7.85 H new ATOM 0 HB2 GLN A 197 9.359 -2.625 -6.345 1.00 8.38 H new ATOM 0 HB3 GLN A 197 10.950 -2.006 -5.948 1.00 8.38 H new ATOM 0 HG2 GLN A 197 11.997 -4.114 -6.541 1.00 8.33 H new ATOM 0 HG3 GLN A 197 10.439 -4.893 -6.732 1.00 8.33 H new ATOM 0 HE21 GLN A 197 9.159 -4.486 -8.581 1.00 8.60 H new ATOM 0 HE22 GLN A 197 9.826 -3.687 -10.008 1.00 8.60 H new ATOM 692 N GLN A 198 12.247 -2.837 -3.399 1.00 8.57 N ATOM 693 CA GLN A 198 13.545 -3.112 -2.799 1.00 9.03 C ATOM 694 C GLN A 198 13.405 -3.433 -1.311 1.00 8.61 C ATOM 695 O GLN A 198 14.293 -4.042 -0.712 1.00 8.82 O ATOM 696 CB GLN A 198 14.478 -1.924 -3.020 1.00 9.66 C ATOM 697 CG GLN A 198 14.585 -1.519 -4.483 1.00 10.19 C ATOM 698 CD GLN A 198 15.741 -0.583 -4.759 1.00 10.85 C ATOM 699 OE1 GLN A 198 16.862 -1.021 -5.010 1.00 11.11 O ATOM 700 NE2 GLN A 198 15.470 0.709 -4.737 1.00 11.29 N ATOM 0 H GLN A 198 11.985 -1.851 -3.400 1.00 8.57 H new ATOM 0 HA GLN A 198 13.976 -3.989 -3.282 1.00 9.03 H new ATOM 0 HB2 GLN A 198 14.120 -1.074 -2.438 1.00 9.66 H new ATOM 0 HB3 GLN A 198 15.470 -2.173 -2.644 1.00 9.66 H new ATOM 0 HG2 GLN A 198 14.697 -2.415 -5.094 1.00 10.19 H new ATOM 0 HG3 GLN A 198 13.656 -1.039 -4.789 1.00 10.19 H new ATOM 0 HE21 GLN A 198 14.525 1.028 -4.524 1.00 11.29 H new ATOM 0 HE22 GLN A 198 16.206 1.388 -4.933 1.00 11.29 H new ATOM 709 N VAL A 199 12.284 -3.031 -0.722 1.00 8.07 N ATOM 710 CA VAL A 199 12.021 -3.282 0.692 1.00 7.70 C ATOM 711 C VAL A 199 11.657 -4.752 0.906 1.00 7.32 C ATOM 712 O VAL A 199 12.038 -5.366 1.903 1.00 7.31 O ATOM 713 CB VAL A 199 10.880 -2.387 1.229 1.00 7.25 C ATOM 714 CG1 VAL A 199 10.653 -2.635 2.710 1.00 7.19 C ATOM 715 CG2 VAL A 199 11.174 -0.914 0.983 1.00 7.41 C ATOM 0 H VAL A 199 11.539 -2.528 -1.204 1.00 8.07 H new ATOM 0 HA VAL A 199 12.931 -3.041 1.242 1.00 7.70 H new ATOM 0 HB VAL A 199 9.971 -2.649 0.687 1.00 7.25 H new ATOM 0 HG11 VAL A 199 9.846 -1.995 3.067 1.00 7.19 H new ATOM 0 HG12 VAL A 199 10.384 -3.680 2.867 1.00 7.19 H new ATOM 0 HG13 VAL A 199 11.566 -2.409 3.261 1.00 7.19 H new ATOM 0 HG21 VAL A 199 10.354 -0.310 1.371 1.00 7.41 H new ATOM 0 HG22 VAL A 199 12.099 -0.638 1.489 1.00 7.41 H new ATOM 0 HG23 VAL A 199 11.279 -0.738 -0.088 1.00 7.41 H new ATOM 725 N THR A 200 10.937 -5.313 -0.054 1.00 7.10 N ATOM 726 CA THR A 200 10.515 -6.703 0.006 1.00 6.83 C ATOM 727 C THR A 200 11.669 -7.641 -0.339 1.00 7.39 C ATOM 728 O THR A 200 11.631 -8.834 -0.031 1.00 7.30 O ATOM 729 CB THR A 200 9.332 -6.958 -0.945 1.00 6.60 C ATOM 730 OG1 THR A 200 9.583 -6.342 -2.212 1.00 6.76 O ATOM 731 CG2 THR A 200 8.043 -6.403 -0.358 1.00 6.11 C ATOM 0 H THR A 200 10.630 -4.820 -0.892 1.00 7.10 H new ATOM 0 HA THR A 200 10.195 -6.906 1.028 1.00 6.83 H new ATOM 0 HB THR A 200 9.224 -8.034 -1.078 1.00 6.60 H new ATOM 0 HG1 THR A 200 8.827 -6.510 -2.813 1.00 6.76 H new ATOM 0 HG21 THR A 200 7.219 -6.593 -1.045 1.00 6.11 H new ATOM 0 HG22 THR A 200 7.839 -6.889 0.596 1.00 6.11 H new ATOM 0 HG23 THR A 200 8.146 -5.329 -0.204 1.00 6.11 H new ATOM 739 N ALA A 201 12.695 -7.091 -0.983 1.00 8.02 N ATOM 740 CA ALA A 201 13.863 -7.864 -1.392 1.00 8.63 C ATOM 741 C ALA A 201 14.534 -8.570 -0.212 1.00 8.64 C ATOM 742 O ALA A 201 14.879 -9.749 -0.307 1.00 8.93 O ATOM 743 CB ALA A 201 14.865 -6.970 -2.102 1.00 9.32 C ATOM 0 H ALA A 201 12.740 -6.104 -1.234 1.00 8.02 H new ATOM 0 HA ALA A 201 13.513 -8.636 -2.078 1.00 8.63 H new ATOM 0 HB1 ALA A 201 15.731 -7.560 -2.401 1.00 9.32 H new ATOM 0 HB2 ALA A 201 14.400 -6.533 -2.986 1.00 9.32 H new ATOM 0 HB3 ALA A 201 15.183 -6.174 -1.429 1.00 9.32 H new ATOM 749 N LEU A 202 14.698 -7.861 0.902 1.00 8.38 N ATOM 750 CA LEU A 202 15.344 -8.438 2.081 1.00 8.45 C ATOM 751 C LEU A 202 14.496 -9.553 2.694 1.00 8.04 C ATOM 752 O LEU A 202 15.010 -10.418 3.408 1.00 8.27 O ATOM 753 CB LEU A 202 15.652 -7.352 3.123 1.00 8.32 C ATOM 754 CG LEU A 202 14.480 -6.450 3.521 1.00 8.50 C ATOM 755 CD1 LEU A 202 13.830 -6.944 4.806 1.00 8.35 C ATOM 756 CD2 LEU A 202 14.955 -5.014 3.683 1.00 9.03 C ATOM 0 H LEU A 202 14.396 -6.893 1.015 1.00 8.38 H new ATOM 0 HA LEU A 202 16.287 -8.879 1.757 1.00 8.45 H new ATOM 0 HB2 LEU A 202 16.033 -7.837 4.022 1.00 8.32 H new ATOM 0 HB3 LEU A 202 16.454 -6.723 2.736 1.00 8.32 H new ATOM 0 HG LEU A 202 13.733 -6.485 2.728 1.00 8.50 H new ATOM 0 HD11 LEU A 202 13.000 -6.288 5.069 1.00 8.35 H new ATOM 0 HD12 LEU A 202 13.459 -7.958 4.659 1.00 8.35 H new ATOM 0 HD13 LEU A 202 14.565 -6.940 5.611 1.00 8.35 H new ATOM 0 HD21 LEU A 202 14.113 -4.382 3.966 1.00 9.03 H new ATOM 0 HD22 LEU A 202 15.719 -4.969 4.459 1.00 9.03 H new ATOM 0 HD23 LEU A 202 15.373 -4.661 2.741 1.00 9.03 H new ATOM 768 N ALA A 203 13.202 -9.539 2.400 1.00 7.51 N ATOM 769 CA ALA A 203 12.298 -10.560 2.911 1.00 7.19 C ATOM 770 C ALA A 203 12.532 -11.878 2.183 1.00 7.64 C ATOM 771 O ALA A 203 12.364 -12.956 2.749 1.00 7.71 O ATOM 772 CB ALA A 203 10.846 -10.118 2.770 1.00 6.60 C ATOM 0 H ALA A 203 12.757 -8.834 1.812 1.00 7.51 H new ATOM 0 HA ALA A 203 12.503 -10.705 3.972 1.00 7.19 H new ATOM 0 HB1 ALA A 203 10.189 -10.897 3.158 1.00 6.60 H new ATOM 0 HB2 ALA A 203 10.690 -9.198 3.333 1.00 6.60 H new ATOM 0 HB3 ALA A 203 10.619 -9.943 1.718 1.00 6.60 H new ATOM 778 N GLN A 204 12.946 -11.774 0.923 1.00 8.03 N ATOM 779 CA GLN A 204 13.220 -12.948 0.099 1.00 8.56 C ATOM 780 C GLN A 204 14.472 -13.656 0.595 1.00 9.11 C ATOM 781 O GLN A 204 14.619 -14.867 0.445 1.00 9.51 O ATOM 782 CB GLN A 204 13.420 -12.541 -1.362 1.00 8.89 C ATOM 783 CG GLN A 204 12.284 -11.715 -1.938 1.00 8.56 C ATOM 784 CD GLN A 204 12.728 -10.866 -3.114 1.00 8.93 C ATOM 785 OE1 GLN A 204 13.664 -11.218 -3.835 1.00 9.22 O ATOM 786 NE2 GLN A 204 12.064 -9.740 -3.314 1.00 9.16 N ATOM 0 H GLN A 204 13.100 -10.884 0.448 1.00 8.03 H new ATOM 0 HA GLN A 204 12.366 -13.622 0.171 1.00 8.56 H new ATOM 0 HB2 GLN A 204 14.346 -11.973 -1.446 1.00 8.89 H new ATOM 0 HB3 GLN A 204 13.542 -13.441 -1.965 1.00 8.89 H new ATOM 0 HG2 GLN A 204 11.480 -12.379 -2.255 1.00 8.56 H new ATOM 0 HG3 GLN A 204 11.876 -11.069 -1.160 1.00 8.56 H new ATOM 0 HE21 GLN A 204 11.295 -9.484 -2.694 1.00 9.16 H new ATOM 0 HE22 GLN A 204 12.321 -9.127 -4.088 1.00 9.16 H new ATOM 795 N GLN A 205 15.367 -12.886 1.204 1.00 9.17 N ATOM 796 CA GLN A 205 16.621 -13.423 1.719 1.00 9.72 C ATOM 797 C GLN A 205 16.424 -14.037 3.101 1.00 9.52 C ATOM 798 O GLN A 205 17.388 -14.446 3.751 1.00 9.93 O ATOM 799 CB GLN A 205 17.681 -12.322 1.784 1.00 10.00 C ATOM 800 CG GLN A 205 17.679 -11.409 0.573 1.00 10.36 C ATOM 801 CD GLN A 205 18.793 -10.386 0.610 1.00 10.95 C ATOM 802 OE1 GLN A 205 18.663 -9.331 1.230 1.00 11.13 O ATOM 803 NE2 GLN A 205 19.891 -10.680 -0.069 1.00 11.44 N ATOM 0 H GLN A 205 15.246 -11.884 1.353 1.00 9.17 H new ATOM 0 HA GLN A 205 16.959 -14.205 1.039 1.00 9.72 H new ATOM 0 HB2 GLN A 205 17.518 -11.724 2.680 1.00 10.00 H new ATOM 0 HB3 GLN A 205 18.665 -12.781 1.882 1.00 10.00 H new ATOM 0 HG2 GLN A 205 17.774 -12.011 -0.331 1.00 10.36 H new ATOM 0 HG3 GLN A 205 16.720 -10.894 0.513 1.00 10.36 H new ATOM 0 HE21 GLN A 205 19.959 -11.566 -0.570 1.00 11.44 H new ATOM 0 HE22 GLN A 205 20.669 -10.021 -0.091 1.00 11.44 H new ATOM 812 N LYS A 206 15.167 -14.091 3.536 1.00 8.93 N ATOM 813 CA LYS A 206 14.801 -14.660 4.831 1.00 8.75 C ATOM 814 C LYS A 206 15.392 -13.848 5.982 1.00 8.72 C ATOM 815 O LYS A 206 15.834 -14.405 6.988 1.00 8.89 O ATOM 816 CB LYS A 206 15.233 -16.127 4.924 1.00 9.26 C ATOM 817 CG LYS A 206 14.668 -17.002 3.815 1.00 9.36 C ATOM 818 CD LYS A 206 13.148 -17.053 3.858 1.00 9.64 C ATOM 819 CE LYS A 206 12.578 -17.792 2.658 1.00 9.95 C ATOM 820 NZ LYS A 206 12.919 -19.239 2.679 1.00 10.29 N1+ ATOM 0 H LYS A 206 14.373 -13.741 3.000 1.00 8.93 H new ATOM 0 HA LYS A 206 13.715 -14.617 4.916 1.00 8.75 H new ATOM 0 HB2 LYS A 206 16.321 -16.179 4.897 1.00 9.26 H new ATOM 0 HB3 LYS A 206 14.919 -16.529 5.887 1.00 9.26 H new ATOM 0 HG2 LYS A 206 14.992 -16.618 2.848 1.00 9.36 H new ATOM 0 HG3 LYS A 206 15.069 -18.011 3.908 1.00 9.36 H new ATOM 0 HD2 LYS A 206 12.826 -17.545 4.776 1.00 9.64 H new ATOM 0 HD3 LYS A 206 12.750 -16.039 3.884 1.00 9.64 H new ATOM 0 HE2 LYS A 206 11.494 -17.676 2.642 1.00 9.95 H new ATOM 0 HE3 LYS A 206 12.960 -17.343 1.741 1.00 9.95 H new ATOM 0 HZ1 LYS A 206 12.468 -19.714 1.871 1.00 10.29 H new ATOM 0 HZ2 LYS A 206 13.951 -19.353 2.617 1.00 10.29 H new ATOM 0 HZ3 LYS A 206 12.577 -19.664 3.565 1.00 10.29 H new ATOM 834 N LEU A 207 15.390 -12.531 5.834 1.00 8.58 N ATOM 835 CA LEU A 207 15.913 -11.646 6.867 1.00 8.66 C ATOM 836 C LEU A 207 14.767 -10.971 7.614 1.00 8.06 C ATOM 837 O LEU A 207 14.983 -10.147 8.505 1.00 8.10 O ATOM 838 CB LEU A 207 16.838 -10.588 6.255 1.00 9.02 C ATOM 839 CG LEU A 207 18.064 -11.132 5.518 1.00 9.66 C ATOM 840 CD1 LEU A 207 18.839 -9.996 4.870 1.00 9.96 C ATOM 841 CD2 LEU A 207 18.956 -11.909 6.471 1.00 10.21 C ATOM 0 H LEU A 207 15.032 -12.051 5.008 1.00 8.58 H new ATOM 0 HA LEU A 207 16.490 -12.245 7.572 1.00 8.66 H new ATOM 0 HB2 LEU A 207 16.258 -9.981 5.560 1.00 9.02 H new ATOM 0 HB3 LEU A 207 17.178 -9.924 7.050 1.00 9.02 H new ATOM 0 HG LEU A 207 17.725 -11.810 4.735 1.00 9.66 H new ATOM 0 HD11 LEU A 207 19.708 -10.399 4.350 1.00 9.96 H new ATOM 0 HD12 LEU A 207 18.197 -9.478 4.157 1.00 9.96 H new ATOM 0 HD13 LEU A 207 19.168 -9.296 5.638 1.00 9.96 H new ATOM 0 HD21 LEU A 207 19.823 -12.289 5.930 1.00 10.21 H new ATOM 0 HD22 LEU A 207 19.289 -11.252 7.275 1.00 10.21 H new ATOM 0 HD23 LEU A 207 18.397 -12.744 6.893 1.00 10.21 H new ATOM 853 N LEU A 208 13.547 -11.329 7.241 1.00 7.59 N ATOM 854 CA LEU A 208 12.357 -10.768 7.857 1.00 7.05 C ATOM 855 C LEU A 208 11.698 -11.786 8.776 1.00 6.95 C ATOM 856 O LEU A 208 11.539 -12.954 8.418 1.00 6.96 O ATOM 857 CB LEU A 208 11.370 -10.330 6.774 1.00 6.63 C ATOM 858 CG LEU A 208 10.434 -9.194 7.172 1.00 6.34 C ATOM 859 CD1 LEU A 208 11.182 -7.871 7.178 1.00 6.60 C ATOM 860 CD2 LEU A 208 9.247 -9.135 6.228 1.00 5.96 C ATOM 0 H LEU A 208 13.356 -12.012 6.508 1.00 7.59 H new ATOM 0 HA LEU A 208 12.649 -9.902 8.452 1.00 7.05 H new ATOM 0 HB2 LEU A 208 11.934 -10.023 5.893 1.00 6.63 H new ATOM 0 HB3 LEU A 208 10.768 -11.191 6.483 1.00 6.63 H new ATOM 0 HG LEU A 208 10.063 -9.382 8.179 1.00 6.34 H new ATOM 0 HD11 LEU A 208 10.501 -7.069 7.464 1.00 6.60 H new ATOM 0 HD12 LEU A 208 12.004 -7.921 7.892 1.00 6.60 H new ATOM 0 HD13 LEU A 208 11.578 -7.673 6.182 1.00 6.60 H new ATOM 0 HD21 LEU A 208 8.587 -8.320 6.524 1.00 5.96 H new ATOM 0 HD22 LEU A 208 9.599 -8.966 5.211 1.00 5.96 H new ATOM 0 HD23 LEU A 208 8.701 -10.077 6.271 1.00 5.96 H new ATOM 872 N THR A 209 11.325 -11.339 9.955 1.00 6.97 N ATOM 873 CA THR A 209 10.671 -12.193 10.927 1.00 7.00 C ATOM 874 C THR A 209 9.215 -11.769 11.064 1.00 6.57 C ATOM 875 O THR A 209 8.858 -10.663 10.650 1.00 6.24 O ATOM 876 CB THR A 209 11.368 -12.106 12.304 1.00 7.40 C ATOM 877 OG1 THR A 209 11.380 -10.749 12.775 1.00 7.39 O ATOM 878 CG2 THR A 209 12.793 -12.635 12.221 1.00 7.89 C ATOM 0 H THR A 209 11.465 -10.378 10.268 1.00 6.97 H new ATOM 0 HA THR A 209 10.732 -13.225 10.580 1.00 7.00 H new ATOM 0 HB THR A 209 10.806 -12.722 13.007 1.00 7.40 H new ATOM 0 HG1 THR A 209 11.764 -10.167 12.086 1.00 7.39 H new ATOM 0 HG21 THR A 209 13.265 -12.564 13.201 1.00 7.89 H new ATOM 0 HG22 THR A 209 12.776 -13.677 11.900 1.00 7.89 H new ATOM 0 HG23 THR A 209 13.360 -12.043 11.502 1.00 7.89 H new ATOM 886 N PRO A 210 8.344 -12.631 11.620 1.00 6.66 N ATOM 887 CA PRO A 210 6.927 -12.301 11.821 1.00 6.45 C ATOM 888 C PRO A 210 6.744 -11.003 12.613 1.00 6.38 C ATOM 889 O PRO A 210 5.692 -10.364 12.547 1.00 6.16 O ATOM 890 CB PRO A 210 6.379 -13.499 12.612 1.00 6.85 C ATOM 891 CG PRO A 210 7.573 -14.273 13.063 1.00 7.16 C ATOM 892 CD PRO A 210 8.648 -14.003 12.059 1.00 7.08 C ATOM 0 HA PRO A 210 6.411 -12.135 10.875 1.00 6.45 H new ATOM 0 HB2 PRO A 210 5.785 -13.166 13.463 1.00 6.85 H new ATOM 0 HB3 PRO A 210 5.728 -14.113 11.990 1.00 6.85 H new ATOM 0 HG2 PRO A 210 7.885 -13.962 14.060 1.00 7.16 H new ATOM 0 HG3 PRO A 210 7.349 -15.338 13.117 1.00 7.16 H new ATOM 0 HD2 PRO A 210 9.642 -14.076 12.501 1.00 7.08 H new ATOM 0 HD3 PRO A 210 8.615 -14.710 11.230 1.00 7.08 H new ATOM 900 N GLN A 211 7.784 -10.615 13.345 1.00 6.66 N ATOM 901 CA GLN A 211 7.758 -9.393 14.140 1.00 6.77 C ATOM 902 C GLN A 211 7.764 -8.177 13.225 1.00 6.45 C ATOM 903 O GLN A 211 7.006 -7.227 13.427 1.00 6.38 O ATOM 904 CB GLN A 211 8.969 -9.328 15.077 1.00 7.30 C ATOM 905 CG GLN A 211 9.371 -10.668 15.667 1.00 7.72 C ATOM 906 CD GLN A 211 10.673 -10.593 16.436 1.00 8.30 C ATOM 907 OE1 GLN A 211 10.679 -10.427 17.656 1.00 8.70 O ATOM 908 NE2 GLN A 211 11.781 -10.692 15.723 1.00 8.61 N ATOM 0 H GLN A 211 8.660 -11.134 13.404 1.00 6.66 H new ATOM 0 HA GLN A 211 6.848 -9.397 14.740 1.00 6.77 H new ATOM 0 HB2 GLN A 211 9.816 -8.916 14.529 1.00 7.30 H new ATOM 0 HB3 GLN A 211 8.748 -8.637 15.890 1.00 7.30 H new ATOM 0 HG2 GLN A 211 8.581 -11.022 16.329 1.00 7.72 H new ATOM 0 HG3 GLN A 211 9.467 -11.401 14.866 1.00 7.72 H new ATOM 0 HE21 GLN A 211 11.727 -10.829 14.714 1.00 8.61 H new ATOM 0 HE22 GLN A 211 12.690 -10.631 16.182 1.00 8.61 H new ATOM 917 N ASP A 212 8.614 -8.226 12.203 1.00 6.37 N ATOM 918 CA ASP A 212 8.734 -7.126 11.255 1.00 6.18 C ATOM 919 C ASP A 212 7.489 -7.028 10.388 1.00 5.63 C ATOM 920 O ASP A 212 7.060 -5.934 10.028 1.00 5.44 O ATOM 921 CB ASP A 212 9.965 -7.303 10.359 1.00 6.44 C ATOM 922 CG ASP A 212 11.204 -7.725 11.122 1.00 7.03 C ATOM 923 OD1 ASP A 212 11.738 -6.915 11.903 1.00 7.34 O1- ATOM 924 OD2 ASP A 212 11.647 -8.884 10.945 1.00 7.38 O ATOM 0 H ASP A 212 9.229 -9.017 12.011 1.00 6.37 H new ATOM 0 HA ASP A 212 8.846 -6.207 11.830 1.00 6.18 H new ATOM 0 HB2 ASP A 212 9.746 -8.048 9.595 1.00 6.44 H new ATOM 0 HB3 ASP A 212 10.167 -6.365 9.841 1.00 6.44 H new ATOM 929 N MET A 213 6.905 -8.178 10.064 1.00 5.47 N ATOM 930 CA MET A 213 5.700 -8.222 9.233 1.00 5.06 C ATOM 931 C MET A 213 4.553 -7.471 9.898 1.00 4.94 C ATOM 932 O MET A 213 3.811 -6.745 9.235 1.00 4.64 O ATOM 933 CB MET A 213 5.276 -9.665 8.951 1.00 5.15 C ATOM 934 CG MET A 213 6.044 -10.316 7.812 1.00 5.33 C ATOM 935 SD MET A 213 5.052 -11.498 6.878 1.00 5.56 S ATOM 936 CE MET A 213 3.898 -10.402 6.051 1.00 5.57 C ATOM 0 H MET A 213 7.244 -9.092 10.363 1.00 5.47 H new ATOM 0 HA MET A 213 5.939 -7.737 8.287 1.00 5.06 H new ATOM 0 HB2 MET A 213 5.413 -10.258 9.855 1.00 5.15 H new ATOM 0 HB3 MET A 213 4.212 -9.682 8.716 1.00 5.15 H new ATOM 0 HG2 MET A 213 6.407 -9.541 7.137 1.00 5.33 H new ATOM 0 HG3 MET A 213 6.920 -10.824 8.215 1.00 5.33 H new ATOM 0 HE1 MET A 213 3.493 -10.899 5.169 1.00 5.57 H new ATOM 0 HE2 MET A 213 3.085 -10.150 6.731 1.00 5.57 H new ATOM 0 HE3 MET A 213 4.414 -9.491 5.749 1.00 5.57 H new ATOM 946 N GLU A 214 4.430 -7.633 11.211 1.00 5.29 N ATOM 947 CA GLU A 214 3.378 -6.968 11.975 1.00 5.44 C ATOM 948 C GLU A 214 3.531 -5.451 11.908 1.00 5.41 C ATOM 949 O GLU A 214 2.552 -4.710 11.979 1.00 5.42 O ATOM 950 CB GLU A 214 3.418 -7.423 13.437 1.00 6.00 C ATOM 951 CG GLU A 214 2.839 -8.812 13.665 1.00 6.18 C ATOM 952 CD GLU A 214 1.355 -8.882 13.369 1.00 6.23 C ATOM 953 OE1 GLU A 214 0.572 -8.189 14.053 1.00 6.40 O1- ATOM 954 OE2 GLU A 214 0.961 -9.628 12.448 1.00 6.43 O ATOM 0 H GLU A 214 5.048 -8.221 11.771 1.00 5.29 H new ATOM 0 HA GLU A 214 2.419 -7.242 11.536 1.00 5.44 H new ATOM 0 HB2 GLU A 214 4.451 -7.409 13.784 1.00 6.00 H new ATOM 0 HB3 GLU A 214 2.868 -6.706 14.046 1.00 6.00 H new ATOM 0 HG2 GLU A 214 3.365 -9.529 13.035 1.00 6.18 H new ATOM 0 HG3 GLU A 214 3.014 -9.109 14.699 1.00 6.18 H new ATOM 961 N ALA A 215 4.766 -5.001 11.766 1.00 5.51 N ATOM 962 CA ALA A 215 5.058 -3.578 11.695 1.00 5.66 C ATOM 963 C ALA A 215 4.968 -3.055 10.264 1.00 5.27 C ATOM 964 O ALA A 215 4.543 -1.924 10.031 1.00 5.33 O ATOM 965 CB ALA A 215 6.437 -3.308 12.272 1.00 6.08 C ATOM 0 H ALA A 215 5.587 -5.603 11.697 1.00 5.51 H new ATOM 0 HA ALA A 215 4.309 -3.048 12.283 1.00 5.66 H new ATOM 0 HB1 ALA A 215 6.652 -2.241 12.217 1.00 6.08 H new ATOM 0 HB2 ALA A 215 6.465 -3.631 13.313 1.00 6.08 H new ATOM 0 HB3 ALA A 215 7.185 -3.859 11.701 1.00 6.08 H new ATOM 971 N ALA A 216 5.338 -3.896 9.307 1.00 4.95 N ATOM 972 CA ALA A 216 5.330 -3.519 7.904 1.00 4.66 C ATOM 973 C ALA A 216 3.909 -3.339 7.398 1.00 4.31 C ATOM 974 O ALA A 216 3.625 -2.411 6.640 1.00 4.17 O ATOM 975 CB ALA A 216 6.063 -4.561 7.070 1.00 4.61 C ATOM 0 H ALA A 216 5.650 -4.851 9.482 1.00 4.95 H new ATOM 0 HA ALA A 216 5.848 -2.565 7.806 1.00 4.66 H new ATOM 0 HB1 ALA A 216 6.048 -4.264 6.021 1.00 4.61 H new ATOM 0 HB2 ALA A 216 7.096 -4.639 7.410 1.00 4.61 H new ATOM 0 HB3 ALA A 216 5.571 -5.527 7.180 1.00 4.61 H new ATOM 981 N LYS A 217 3.014 -4.218 7.833 1.00 4.31 N ATOM 982 CA LYS A 217 1.629 -4.139 7.405 1.00 4.20 C ATOM 983 C LYS A 217 0.963 -2.878 7.952 1.00 4.42 C ATOM 984 O LYS A 217 0.071 -2.311 7.321 1.00 4.34 O ATOM 985 CB LYS A 217 0.855 -5.401 7.808 1.00 4.47 C ATOM 986 CG LYS A 217 0.700 -5.599 9.307 1.00 4.63 C ATOM 987 CD LYS A 217 0.292 -7.028 9.624 1.00 5.07 C ATOM 988 CE LYS A 217 -0.594 -7.100 10.853 1.00 5.46 C ATOM 989 NZ LYS A 217 -1.063 -8.487 11.114 1.00 5.88 N1+ ATOM 0 H LYS A 217 3.222 -4.984 8.474 1.00 4.31 H new ATOM 0 HA LYS A 217 1.613 -4.078 6.317 1.00 4.20 H new ATOM 0 HB2 LYS A 217 -0.136 -5.363 7.356 1.00 4.47 H new ATOM 0 HB3 LYS A 217 1.362 -6.271 7.391 1.00 4.47 H new ATOM 0 HG2 LYS A 217 1.639 -5.365 9.808 1.00 4.63 H new ATOM 0 HG3 LYS A 217 -0.049 -4.908 9.694 1.00 4.63 H new ATOM 0 HD2 LYS A 217 -0.235 -7.454 8.770 1.00 5.07 H new ATOM 0 HD3 LYS A 217 1.184 -7.634 9.783 1.00 5.07 H new ATOM 0 HE2 LYS A 217 -0.044 -6.733 11.720 1.00 5.46 H new ATOM 0 HE3 LYS A 217 -1.454 -6.444 10.720 1.00 5.46 H new ATOM 0 HZ1 LYS A 217 -1.864 -8.464 11.777 1.00 5.88 H new ATOM 0 HZ2 LYS A 217 -1.366 -8.925 10.221 1.00 5.88 H new ATOM 0 HZ3 LYS A 217 -0.288 -9.044 11.527 1.00 5.88 H new ATOM 1003 N GLU A 218 1.427 -2.435 9.114 1.00 0.00 N ATOM 1004 CA GLU A 218 0.897 -1.218 9.722 1.00 0.00 C ATOM 1005 C GLU A 218 1.300 0.002 8.930 1.00 0.00 C ATOM 1006 O GLU A 218 0.470 0.829 8.569 1.00 0.00 O ATOM 1007 CB GLU A 218 1.399 -1.103 11.190 1.00 0.00 C ATOM 1008 CG GLU A 218 0.840 -2.173 12.183 1.00 0.00 C ATOM 1009 CD GLU A 218 1.329 -2.149 13.620 1.00 0.00 C ATOM 1010 OE1 GLU A 218 2.186 -1.325 13.990 1.00 0.00 O ATOM 1011 OE2 GLU A 218 0.817 -2.982 14.397 1.00 0.00 O1- ATOM 0 H GLU A 218 2.162 -2.894 9.651 1.00 0.00 H new ATOM 0 HA GLU A 218 -0.192 -1.274 9.719 1.00 0.00 H new ATOM 0 HB2 GLU A 218 2.487 -1.169 11.189 1.00 0.00 H new ATOM 0 HB3 GLU A 218 1.140 -0.114 11.567 1.00 0.00 H new ATOM 0 HG2 GLU A 218 -0.245 -2.075 12.200 1.00 0.00 H new ATOM 0 HG3 GLU A 218 1.065 -3.157 11.772 1.00 0.00 H new ATOM 1018 N VAL A 219 2.599 0.087 8.644 1.00 4.99 N ATOM 1019 CA VAL A 219 3.156 1.201 7.883 1.00 5.07 C ATOM 1020 C VAL A 219 2.493 1.316 6.510 1.00 4.71 C ATOM 1021 O VAL A 219 2.139 2.410 6.068 1.00 4.89 O ATOM 1022 CB VAL A 219 4.683 1.038 7.708 1.00 5.20 C ATOM 1023 CG1 VAL A 219 5.239 2.064 6.732 1.00 5.47 C ATOM 1024 CG2 VAL A 219 5.388 1.145 9.053 1.00 5.63 C ATOM 0 H VAL A 219 3.288 -0.608 8.931 1.00 4.99 H new ATOM 0 HA VAL A 219 2.957 2.113 8.446 1.00 5.07 H new ATOM 0 HB VAL A 219 4.869 0.047 7.294 1.00 5.20 H new ATOM 0 HG11 VAL A 219 6.315 1.924 6.630 1.00 5.47 H new ATOM 0 HG12 VAL A 219 4.763 1.937 5.760 1.00 5.47 H new ATOM 0 HG13 VAL A 219 5.038 3.068 7.106 1.00 5.47 H new ATOM 0 HG21 VAL A 219 6.462 1.028 8.911 1.00 5.63 H new ATOM 0 HG22 VAL A 219 5.184 2.121 9.494 1.00 5.63 H new ATOM 0 HG23 VAL A 219 5.023 0.363 9.719 1.00 5.63 H new ATOM 1034 N TYR A 220 2.310 0.173 5.860 1.00 4.28 N ATOM 1035 CA TYR A 220 1.696 0.118 4.539 1.00 4.00 C ATOM 1036 C TYR A 220 0.273 0.679 4.568 1.00 4.14 C ATOM 1037 O TYR A 220 -0.143 1.395 3.655 1.00 4.18 O ATOM 1038 CB TYR A 220 1.690 -1.330 4.037 1.00 3.69 C ATOM 1039 CG TYR A 220 1.688 -1.477 2.529 1.00 3.55 C ATOM 1040 CD1 TYR A 220 1.447 -0.395 1.687 1.00 3.52 C ATOM 1041 CD2 TYR A 220 1.917 -2.717 1.948 1.00 3.97 C ATOM 1042 CE1 TYR A 220 1.430 -0.550 0.315 1.00 3.66 C ATOM 1043 CE2 TYR A 220 1.906 -2.878 0.577 1.00 4.12 C ATOM 1044 CZ TYR A 220 1.659 -1.793 -0.235 1.00 3.85 C ATOM 1045 OH TYR A 220 1.628 -1.958 -1.598 1.00 4.23 O ATOM 0 H TYR A 220 2.581 -0.737 6.231 1.00 4.28 H new ATOM 0 HA TYR A 220 2.281 0.735 3.857 1.00 4.00 H new ATOM 0 HB2 TYR A 220 2.565 -1.843 4.437 1.00 3.69 H new ATOM 0 HB3 TYR A 220 0.812 -1.836 4.439 1.00 3.69 H new ATOM 0 HD1 TYR A 220 1.270 0.581 2.114 1.00 3.52 H new ATOM 0 HD2 TYR A 220 2.107 -3.572 2.580 1.00 3.97 H new ATOM 0 HE1 TYR A 220 1.238 0.299 -0.324 1.00 3.66 H new ATOM 0 HE2 TYR A 220 2.090 -3.850 0.143 1.00 4.12 H new ATOM 0 HH TYR A 220 2.033 -1.178 -2.031 1.00 4.23 H new ATOM 1055 N LYS A 221 -0.467 0.370 5.625 1.00 4.37 N ATOM 1056 CA LYS A 221 -1.839 0.846 5.755 1.00 4.73 C ATOM 1057 C LYS A 221 -1.884 2.358 5.959 1.00 5.09 C ATOM 1058 O LYS A 221 -2.774 3.035 5.439 1.00 5.27 O ATOM 1059 CB LYS A 221 -2.549 0.130 6.901 1.00 5.11 C ATOM 1060 CG LYS A 221 -2.926 -1.302 6.564 1.00 5.12 C ATOM 1061 CD LYS A 221 -3.835 -1.911 7.616 1.00 5.57 C ATOM 1062 CE LYS A 221 -4.264 -3.313 7.222 1.00 5.79 C ATOM 1063 NZ LYS A 221 -5.203 -3.908 8.207 1.00 6.17 N1+ ATOM 0 H LYS A 221 -0.142 -0.206 6.402 1.00 4.37 H new ATOM 0 HA LYS A 221 -2.361 0.618 4.826 1.00 4.73 H new ATOM 0 HB2 LYS A 221 -1.903 0.133 7.779 1.00 5.11 H new ATOM 0 HB3 LYS A 221 -3.450 0.684 7.166 1.00 5.11 H new ATOM 0 HG2 LYS A 221 -3.424 -1.328 5.595 1.00 5.12 H new ATOM 0 HG3 LYS A 221 -2.022 -1.904 6.473 1.00 5.12 H new ATOM 0 HD2 LYS A 221 -3.317 -1.942 8.575 1.00 5.57 H new ATOM 0 HD3 LYS A 221 -4.715 -1.282 7.749 1.00 5.57 H new ATOM 0 HE2 LYS A 221 -4.739 -3.284 6.241 1.00 5.79 H new ATOM 0 HE3 LYS A 221 -3.383 -3.949 7.131 1.00 5.79 H new ATOM 0 HZ1 LYS A 221 -5.470 -4.865 7.898 1.00 6.17 H new ATOM 0 HZ2 LYS A 221 -4.742 -3.960 9.138 1.00 6.17 H new ATOM 0 HZ3 LYS A 221 -6.055 -3.316 8.275 1.00 6.17 H new ATOM 1077 N ILE A 222 -0.929 2.884 6.719 1.00 5.30 N ATOM 1078 CA ILE A 222 -0.856 4.320 6.969 1.00 5.78 C ATOM 1079 C ILE A 222 -0.497 5.052 5.678 1.00 5.68 C ATOM 1080 O ILE A 222 -1.026 6.127 5.382 1.00 6.01 O ATOM 1081 CB ILE A 222 0.187 4.653 8.061 1.00 6.15 C ATOM 1082 CG1 ILE A 222 -0.098 3.845 9.329 1.00 6.30 C ATOM 1083 CG2 ILE A 222 0.185 6.146 8.365 1.00 6.74 C ATOM 1084 CD1 ILE A 222 1.057 3.818 10.309 1.00 6.53 C ATOM 0 H ILE A 222 -0.196 2.339 7.172 1.00 5.30 H new ATOM 0 HA ILE A 222 -1.833 4.649 7.322 1.00 5.78 H new ATOM 0 HB ILE A 222 1.176 4.382 7.692 1.00 6.15 H new ATOM 0 HG12 ILE A 222 -0.974 4.263 9.825 1.00 6.30 H new ATOM 0 HG13 ILE A 222 -0.348 2.822 9.048 1.00 6.30 H new ATOM 0 HG21 ILE A 222 0.925 6.361 9.136 1.00 6.74 H new ATOM 0 HG22 ILE A 222 0.431 6.702 7.460 1.00 6.74 H new ATOM 0 HG23 ILE A 222 -0.803 6.444 8.717 1.00 6.74 H new ATOM 0 HD11 ILE A 222 0.780 3.227 11.182 1.00 6.53 H new ATOM 0 HD12 ILE A 222 1.929 3.373 9.831 1.00 6.53 H new ATOM 0 HD13 ILE A 222 1.294 4.835 10.620 1.00 6.53 H new ATOM 1096 N HIS A 223 0.391 4.441 4.904 1.00 5.31 N ATOM 1097 CA HIS A 223 0.839 4.996 3.632 1.00 5.36 C ATOM 1098 C HIS A 223 -0.344 5.146 2.672 1.00 5.26 C ATOM 1099 O HIS A 223 -0.431 6.117 1.914 1.00 5.59 O ATOM 1100 CB HIS A 223 1.909 4.077 3.025 1.00 5.11 C ATOM 1101 CG HIS A 223 2.676 4.672 1.881 1.00 5.45 C ATOM 1102 ND1 HIS A 223 3.448 3.888 1.058 1.00 5.42 N ATOM 1103 CD2 HIS A 223 2.774 5.964 1.478 1.00 5.95 C ATOM 1104 CE1 HIS A 223 3.995 4.711 0.182 1.00 5.92 C ATOM 1105 NE2 HIS A 223 3.615 5.979 0.397 1.00 6.23 N ATOM 0 H HIS A 223 0.821 3.547 5.140 1.00 5.31 H new ATOM 0 HA HIS A 223 1.268 5.984 3.800 1.00 5.36 H new ATOM 0 HB2 HIS A 223 2.613 3.796 3.808 1.00 5.11 H new ATOM 0 HB3 HIS A 223 1.429 3.160 2.684 1.00 5.11 H new ATOM 0 HD2 HIS A 223 2.283 6.817 1.924 1.00 5.95 H new ATOM 0 HE1 HIS A 223 4.664 4.402 -0.608 1.00 5.92 H new ATOM 0 HE2 HIS A 223 3.898 6.798 -0.141 1.00 6.23 H new ATOM 1113 N GLN A 224 -1.264 4.193 2.740 1.00 4.91 N ATOM 1114 CA GLN A 224 -2.450 4.188 1.890 1.00 4.90 C ATOM 1115 C GLN A 224 -3.383 5.355 2.226 1.00 5.38 C ATOM 1116 O GLN A 224 -4.174 5.798 1.387 1.00 5.57 O ATOM 1117 CB GLN A 224 -3.186 2.853 2.049 1.00 4.63 C ATOM 1118 CG GLN A 224 -4.318 2.646 1.056 1.00 4.79 C ATOM 1119 CD GLN A 224 -5.675 2.592 1.729 1.00 4.97 C ATOM 1120 OE1 GLN A 224 -6.150 1.525 2.121 1.00 5.09 O ATOM 1121 NE2 GLN A 224 -6.305 3.746 1.873 1.00 5.38 N ATOM 0 H GLN A 224 -1.211 3.403 3.383 1.00 4.91 H new ATOM 0 HA GLN A 224 -2.134 4.309 0.854 1.00 4.90 H new ATOM 0 HB2 GLN A 224 -2.468 2.040 1.940 1.00 4.63 H new ATOM 0 HB3 GLN A 224 -3.588 2.790 3.060 1.00 4.63 H new ATOM 0 HG2 GLN A 224 -4.310 3.455 0.326 1.00 4.79 H new ATOM 0 HG3 GLN A 224 -4.151 1.719 0.507 1.00 4.79 H new ATOM 0 HE21 GLN A 224 -5.876 4.607 1.534 1.00 5.38 H new ATOM 0 HE22 GLN A 224 -7.220 3.775 2.323 1.00 5.38 H new ATOM 1130 N GLN A 225 -3.281 5.864 3.447 1.00 5.66 N ATOM 1131 CA GLN A 225 -4.130 6.966 3.884 1.00 6.22 C ATOM 1132 C GLN A 225 -3.643 8.292 3.309 1.00 6.53 C ATOM 1133 O GLN A 225 -4.441 9.179 3.007 1.00 6.88 O ATOM 1134 CB GLN A 225 -4.163 7.039 5.410 1.00 6.56 C ATOM 1135 CG GLN A 225 -4.691 5.775 6.072 1.00 6.94 C ATOM 1136 CD GLN A 225 -4.636 5.844 7.584 1.00 7.36 C ATOM 1137 OE1 GLN A 225 -3.768 6.503 8.153 1.00 7.76 O ATOM 1138 NE2 GLN A 225 -5.567 5.175 8.245 1.00 7.56 N ATOM 0 H GLN A 225 -2.621 5.533 4.151 1.00 5.66 H new ATOM 0 HA GLN A 225 -5.139 6.781 3.515 1.00 6.22 H new ATOM 0 HB2 GLN A 225 -3.156 7.237 5.777 1.00 6.56 H new ATOM 0 HB3 GLN A 225 -4.784 7.883 5.711 1.00 6.56 H new ATOM 0 HG2 GLN A 225 -5.721 5.607 5.757 1.00 6.94 H new ATOM 0 HG3 GLN A 225 -4.109 4.919 5.729 1.00 6.94 H new ATOM 0 HE21 GLN A 225 -6.270 4.640 7.735 1.00 7.56 H new ATOM 0 HE22 GLN A 225 -5.582 5.194 9.265 1.00 7.56 H new ATOM 1147 N LEU A 226 -2.333 8.414 3.144 1.00 6.49 N ATOM 1148 CA LEU A 226 -1.733 9.631 2.608 1.00 6.92 C ATOM 1149 C LEU A 226 -2.239 9.922 1.198 1.00 6.85 C ATOM 1150 O LEU A 226 -2.468 11.075 0.832 1.00 7.28 O ATOM 1151 CB LEU A 226 -0.207 9.498 2.612 1.00 7.02 C ATOM 1152 CG LEU A 226 0.568 10.711 2.084 1.00 7.62 C ATOM 1153 CD1 LEU A 226 0.208 11.968 2.863 1.00 7.93 C ATOM 1154 CD2 LEU A 226 2.065 10.454 2.159 1.00 8.09 C ATOM 0 H LEU A 226 -1.661 7.682 3.375 1.00 6.49 H new ATOM 0 HA LEU A 226 -2.023 10.468 3.243 1.00 6.92 H new ATOM 0 HB2 LEU A 226 0.119 9.298 3.633 1.00 7.02 H new ATOM 0 HB3 LEU A 226 0.065 8.628 2.014 1.00 7.02 H new ATOM 0 HG LEU A 226 0.289 10.866 1.042 1.00 7.62 H new ATOM 0 HD11 LEU A 226 0.771 12.814 2.469 1.00 7.93 H new ATOM 0 HD12 LEU A 226 -0.859 12.165 2.763 1.00 7.93 H new ATOM 0 HD13 LEU A 226 0.454 11.827 3.915 1.00 7.93 H new ATOM 0 HD21 LEU A 226 2.603 11.323 1.781 1.00 8.09 H new ATOM 0 HD22 LEU A 226 2.352 10.272 3.195 1.00 8.09 H new ATOM 0 HD23 LEU A 226 2.315 9.582 1.555 1.00 8.09 H new ATOM 1166 N LEU A 227 -2.440 8.867 0.420 1.00 6.38 N ATOM 1167 CA LEU A 227 -2.912 9.009 -0.952 1.00 6.38 C ATOM 1168 C LEU A 227 -4.371 9.464 -0.994 1.00 6.51 C ATOM 1169 O LEU A 227 -4.774 10.199 -1.900 1.00 6.81 O ATOM 1170 CB LEU A 227 -2.746 7.690 -1.707 1.00 5.94 C ATOM 1171 CG LEU A 227 -1.310 7.158 -1.780 1.00 5.92 C ATOM 1172 CD1 LEU A 227 -1.252 5.909 -2.638 1.00 5.56 C ATOM 1173 CD2 LEU A 227 -0.367 8.220 -2.326 1.00 6.51 C ATOM 0 H LEU A 227 -2.284 7.903 0.715 1.00 6.38 H new ATOM 0 HA LEU A 227 -2.308 9.776 -1.438 1.00 6.38 H new ATOM 0 HB2 LEU A 227 -3.373 6.936 -1.231 1.00 5.94 H new ATOM 0 HB3 LEU A 227 -3.120 7.821 -2.722 1.00 5.94 H new ATOM 0 HG LEU A 227 -0.989 6.903 -0.770 1.00 5.92 H new ATOM 0 HD11 LEU A 227 -0.226 5.544 -2.680 1.00 5.56 H new ATOM 0 HD12 LEU A 227 -1.893 5.141 -2.206 1.00 5.56 H new ATOM 0 HD13 LEU A 227 -1.595 6.144 -3.646 1.00 5.56 H new ATOM 0 HD21 LEU A 227 0.646 7.820 -2.369 1.00 6.51 H new ATOM 0 HD22 LEU A 227 -0.685 8.509 -3.328 1.00 6.51 H new ATOM 0 HD23 LEU A 227 -0.385 9.093 -1.673 1.00 6.51 H new ATOM 1185 N PHE A 228 -5.156 9.040 -0.007 1.00 6.38 N ATOM 1186 CA PHE A 228 -6.568 9.411 0.054 1.00 6.62 C ATOM 1187 C PHE A 228 -6.716 10.901 0.341 1.00 7.17 C ATOM 1188 O PHE A 228 -7.543 11.586 -0.267 1.00 7.44 O ATOM 1189 CB PHE A 228 -7.300 8.594 1.126 1.00 6.57 C ATOM 1190 CG PHE A 228 -8.738 8.973 1.296 1.00 6.89 C ATOM 1191 CD1 PHE A 228 -9.674 8.644 0.332 1.00 7.04 C ATOM 1192 CD2 PHE A 228 -9.152 9.656 2.425 1.00 7.26 C ATOM 1193 CE1 PHE A 228 -11.000 8.991 0.493 1.00 7.43 C ATOM 1194 CE2 PHE A 228 -10.473 10.005 2.591 1.00 7.64 C ATOM 1195 CZ PHE A 228 -11.401 9.673 1.623 1.00 7.67 C ATOM 0 H PHE A 228 -4.841 8.443 0.758 1.00 6.38 H new ATOM 0 HA PHE A 228 -7.017 9.192 -0.915 1.00 6.62 H new ATOM 0 HB2 PHE A 228 -7.241 7.537 0.868 1.00 6.57 H new ATOM 0 HB3 PHE A 228 -6.786 8.719 2.079 1.00 6.57 H new ATOM 0 HD1 PHE A 228 -9.364 8.111 -0.555 1.00 7.04 H new ATOM 0 HD2 PHE A 228 -8.431 9.918 3.185 1.00 7.26 H new ATOM 0 HE1 PHE A 228 -11.723 8.729 -0.265 1.00 7.43 H new ATOM 0 HE2 PHE A 228 -10.784 10.538 3.477 1.00 7.64 H new ATOM 0 HZ PHE A 228 -12.438 9.947 1.751 1.00 7.67 H new ATOM 1205 N LYS A 229 -5.897 11.399 1.261 1.00 7.38 N ATOM 1206 CA LYS A 229 -5.921 12.807 1.642 1.00 7.96 C ATOM 1207 C LYS A 229 -5.632 13.699 0.441 1.00 8.17 C ATOM 1208 O LYS A 229 -6.235 14.761 0.286 1.00 8.60 O ATOM 1209 CB LYS A 229 -4.900 13.075 2.749 1.00 8.19 C ATOM 1210 CG LYS A 229 -5.190 12.332 4.042 1.00 8.20 C ATOM 1211 CD LYS A 229 -3.994 12.363 4.976 1.00 8.62 C ATOM 1212 CE LYS A 229 -3.770 13.750 5.562 1.00 8.81 C ATOM 1213 NZ LYS A 229 -2.323 14.078 5.672 1.00 9.36 N1+ ATOM 0 H LYS A 229 -5.203 10.843 1.760 1.00 7.38 H new ATOM 0 HA LYS A 229 -6.919 13.041 2.014 1.00 7.96 H new ATOM 0 HB2 LYS A 229 -3.909 12.793 2.393 1.00 8.19 H new ATOM 0 HB3 LYS A 229 -4.872 14.145 2.954 1.00 8.19 H new ATOM 0 HG2 LYS A 229 -6.052 12.781 4.536 1.00 8.20 H new ATOM 0 HG3 LYS A 229 -5.453 11.298 3.819 1.00 8.20 H new ATOM 0 HD2 LYS A 229 -4.145 11.647 5.784 1.00 8.62 H new ATOM 0 HD3 LYS A 229 -3.102 12.049 4.435 1.00 8.62 H new ATOM 0 HE2 LYS A 229 -4.264 14.493 4.936 1.00 8.81 H new ATOM 0 HE3 LYS A 229 -4.231 13.806 6.548 1.00 8.81 H new ATOM 0 HZ1 LYS A 229 -2.213 15.030 6.075 1.00 9.36 H new ATOM 0 HZ2 LYS A 229 -1.856 13.384 6.290 1.00 9.36 H new ATOM 0 HZ3 LYS A 229 -1.888 14.049 4.728 1.00 9.36 H new ATOM 1227 N ALA A 230 -4.720 13.250 -0.414 1.00 7.94 N ATOM 1228 CA ALA A 230 -4.348 14.000 -1.607 1.00 8.24 C ATOM 1229 C ALA A 230 -5.503 14.074 -2.603 1.00 8.26 C ATOM 1230 O ALA A 230 -5.611 15.028 -3.372 1.00 8.69 O ATOM 1231 CB ALA A 230 -3.126 13.376 -2.267 1.00 8.09 C ATOM 0 H ALA A 230 -4.223 12.366 -0.302 1.00 7.94 H new ATOM 0 HA ALA A 230 -4.105 15.016 -1.297 1.00 8.24 H new ATOM 0 HB1 ALA A 230 -2.861 13.948 -3.156 1.00 8.09 H new ATOM 0 HB2 ALA A 230 -2.290 13.385 -1.567 1.00 8.09 H new ATOM 0 HB3 ALA A 230 -3.351 12.348 -2.550 1.00 8.09 H new ATOM 1603 N ASN B 116 -9.766 -2.873 -1.003 1.00 11.51 N ATOM 1604 CA ASN B 116 -8.709 -3.824 -1.346 1.00 10.99 C ATOM 1605 C ASN B 116 -7.504 -3.696 -0.424 1.00 10.00 C ATOM 1606 O ASN B 116 -6.417 -4.176 -0.750 1.00 9.54 O ATOM 1607 CB ASN B 116 -8.256 -3.616 -2.793 1.00 11.43 C ATOM 1608 CG ASN B 116 -9.374 -3.810 -3.792 1.00 11.80 C ATOM 1609 OD1 ASN B 116 -9.632 -4.925 -4.238 1.00 12.04 O ATOM 1610 ND2 ASN B 116 -10.051 -2.732 -4.147 1.00 12.05 N ATOM 0 HA ASN B 116 -9.128 -4.823 -1.225 1.00 10.99 H new ATOM 0 HB2 ASN B 116 -7.850 -2.610 -2.900 1.00 11.43 H new ATOM 0 HB3 ASN B 116 -7.448 -4.312 -3.019 1.00 11.43 H new ATOM 0 HD21 ASN B 116 -10.819 -2.809 -4.814 1.00 12.05 H new ATOM 0 HD22 ASN B 116 -9.806 -1.823 -3.754 1.00 12.05 H new ATOM 1617 N SER B 117 -7.702 -3.085 0.737 1.00 9.85 N ATOM 1618 CA SER B 117 -6.630 -2.888 1.711 1.00 9.09 C ATOM 1619 C SER B 117 -6.272 -4.190 2.440 1.00 8.48 C ATOM 1620 O SER B 117 -5.972 -4.189 3.634 1.00 7.94 O ATOM 1621 CB SER B 117 -7.058 -1.819 2.715 1.00 9.58 C ATOM 1622 OG SER B 117 -7.770 -0.778 2.067 1.00 10.42 O ATOM 0 H SER B 117 -8.605 -2.713 1.031 1.00 9.85 H new ATOM 0 HA SER B 117 -5.737 -2.563 1.178 1.00 9.09 H new ATOM 0 HB2 SER B 117 -7.683 -2.268 3.487 1.00 9.58 H new ATOM 0 HB3 SER B 117 -6.180 -1.410 3.214 1.00 9.58 H new ATOM 0 HG SER B 117 -7.223 0.035 2.057 1.00 10.42 H new ATOM 1628 N LYS B 118 -6.309 -5.295 1.709 1.00 8.71 N ATOM 1629 CA LYS B 118 -5.983 -6.605 2.256 1.00 8.32 C ATOM 1630 C LYS B 118 -4.885 -7.264 1.425 1.00 7.50 C ATOM 1631 O LYS B 118 -4.081 -8.044 1.936 1.00 7.07 O ATOM 1632 CB LYS B 118 -7.228 -7.498 2.276 1.00 9.09 C ATOM 1633 CG LYS B 118 -6.938 -8.932 2.690 1.00 9.49 C ATOM 1634 CD LYS B 118 -8.104 -9.858 2.389 1.00 10.17 C ATOM 1635 CE LYS B 118 -7.638 -11.301 2.249 1.00 10.68 C ATOM 1636 NZ LYS B 118 -7.096 -11.581 0.891 1.00 11.16 N1+ ATOM 0 H LYS B 118 -6.565 -5.309 0.722 1.00 8.71 H new ATOM 0 HA LYS B 118 -5.626 -6.475 3.278 1.00 8.32 H new ATOM 0 HB2 LYS B 118 -7.961 -7.071 2.961 1.00 9.09 H new ATOM 0 HB3 LYS B 118 -7.681 -7.499 1.285 1.00 9.09 H new ATOM 0 HG2 LYS B 118 -6.049 -9.287 2.169 1.00 9.49 H new ATOM 0 HG3 LYS B 118 -6.716 -8.964 3.757 1.00 9.49 H new ATOM 0 HD2 LYS B 118 -8.843 -9.787 3.187 1.00 10.17 H new ATOM 0 HD3 LYS B 118 -8.596 -9.541 1.469 1.00 10.17 H new ATOM 0 HE2 LYS B 118 -6.871 -11.509 2.996 1.00 10.68 H new ATOM 0 HE3 LYS B 118 -8.472 -11.973 2.453 1.00 10.68 H new ATOM 0 HZ1 LYS B 118 -6.441 -12.388 0.938 1.00 11.16 H new ATOM 0 HZ2 LYS B 118 -7.879 -11.808 0.245 1.00 11.16 H new ATOM 0 HZ3 LYS B 118 -6.589 -10.744 0.540 1.00 11.16 H new ATOM 1650 N GLU B 119 -4.837 -6.917 0.144 1.00 7.48 N ATOM 1651 CA GLU B 119 -3.852 -7.479 -0.775 1.00 6.99 C ATOM 1652 C GLU B 119 -2.503 -6.778 -0.632 1.00 6.13 C ATOM 1653 O GLU B 119 -1.585 -6.997 -1.421 1.00 5.77 O ATOM 1654 CB GLU B 119 -4.363 -7.368 -2.216 1.00 7.65 C ATOM 1655 CG GLU B 119 -5.116 -8.602 -2.701 1.00 8.43 C ATOM 1656 CD GLU B 119 -6.298 -8.973 -1.824 1.00 9.01 C ATOM 1657 OE1 GLU B 119 -6.099 -9.691 -0.817 1.00 9.34 O ATOM 1658 OE2 GLU B 119 -7.435 -8.573 -2.151 1.00 9.37 O1- ATOM 0 H GLU B 119 -5.473 -6.245 -0.285 1.00 7.48 H new ATOM 0 HA GLU B 119 -3.709 -8.531 -0.526 1.00 6.99 H new ATOM 0 HB2 GLU B 119 -5.019 -6.501 -2.293 1.00 7.65 H new ATOM 0 HB3 GLU B 119 -3.516 -7.187 -2.878 1.00 7.65 H new ATOM 0 HG2 GLU B 119 -5.469 -8.427 -3.717 1.00 8.43 H new ATOM 0 HG3 GLU B 119 -4.427 -9.445 -2.744 1.00 8.43 H new ATOM 1665 N TRP B 120 -2.394 -5.948 0.395 1.00 6.01 N ATOM 1666 CA TRP B 120 -1.174 -5.200 0.666 1.00 5.38 C ATOM 1667 C TRP B 120 -0.046 -6.138 1.105 1.00 4.90 C ATOM 1668 O TRP B 120 1.108 -5.974 0.711 1.00 4.43 O ATOM 1669 CB TRP B 120 -1.438 -4.160 1.759 1.00 5.80 C ATOM 1670 CG TRP B 120 -1.904 -2.817 1.257 1.00 5.98 C ATOM 1671 CD1 TRP B 120 -1.710 -1.616 1.877 1.00 6.39 C ATOM 1672 CD2 TRP B 120 -2.641 -2.526 0.052 1.00 6.18 C ATOM 1673 NE1 TRP B 120 -2.268 -0.602 1.138 1.00 6.78 N ATOM 1674 CE2 TRP B 120 -2.846 -1.134 0.017 1.00 6.64 C ATOM 1675 CE3 TRP B 120 -3.145 -3.300 -1.000 1.00 6.35 C ATOM 1676 CZ2 TRP B 120 -3.529 -0.502 -1.021 1.00 7.17 C ATOM 1677 CZ3 TRP B 120 -3.821 -2.673 -2.029 1.00 6.93 C ATOM 1678 CH2 TRP B 120 -4.007 -1.287 -2.034 1.00 7.28 C ATOM 0 H TRP B 120 -3.146 -5.774 1.062 1.00 6.01 H new ATOM 0 HA TRP B 120 -0.866 -4.697 -0.251 1.00 5.38 H new ATOM 0 HB2 TRP B 120 -2.188 -4.556 2.444 1.00 5.80 H new ATOM 0 HB3 TRP B 120 -0.523 -4.019 2.335 1.00 5.80 H new ATOM 0 HD1 TRP B 120 -1.192 -1.483 2.815 1.00 6.39 H new ATOM 0 HE1 TRP B 120 -2.254 0.388 1.385 1.00 6.78 H new ATOM 0 HE3 TRP B 120 -3.007 -4.371 -1.007 1.00 6.35 H new ATOM 0 HZ2 TRP B 120 -3.675 0.568 -1.025 1.00 7.17 H new ATOM 0 HZ3 TRP B 120 -4.213 -3.264 -2.844 1.00 6.93 H new ATOM 0 HH2 TRP B 120 -4.539 -0.827 -2.854 1.00 7.28 H new ATOM 1689 N THR B 121 -0.397 -7.134 1.908 1.00 5.33 N ATOM 1690 CA THR B 121 0.570 -8.093 2.422 1.00 5.34 C ATOM 1691 C THR B 121 1.040 -9.071 1.346 1.00 5.03 C ATOM 1692 O THR B 121 2.046 -9.758 1.522 1.00 5.08 O ATOM 1693 CB THR B 121 -0.038 -8.882 3.591 1.00 6.28 C ATOM 1694 OG1 THR B 121 -1.411 -8.489 3.765 1.00 6.81 O ATOM 1695 CG2 THR B 121 0.738 -8.638 4.880 1.00 6.77 C ATOM 0 H THR B 121 -1.354 -7.299 2.219 1.00 5.33 H new ATOM 0 HA THR B 121 1.435 -7.524 2.762 1.00 5.34 H new ATOM 0 HB THR B 121 0.017 -9.946 3.360 1.00 6.28 H new ATOM 0 HG1 THR B 121 -1.447 -7.580 4.130 1.00 6.81 H new ATOM 0 HG21 THR B 121 0.285 -9.209 5.691 1.00 6.77 H new ATOM 0 HG22 THR B 121 1.773 -8.954 4.747 1.00 6.77 H new ATOM 0 HG23 THR B 121 0.712 -7.576 5.125 1.00 6.77 H new ATOM 1703 N SER B 122 0.323 -9.116 0.227 1.00 5.01 N ATOM 1704 CA SER B 122 0.661 -10.016 -0.869 1.00 4.99 C ATOM 1705 C SER B 122 2.008 -9.660 -1.505 1.00 4.55 C ATOM 1706 O SER B 122 2.635 -10.497 -2.160 1.00 4.76 O ATOM 1707 CB SER B 122 -0.448 -9.989 -1.922 1.00 5.61 C ATOM 1708 OG SER B 122 -1.695 -10.374 -1.353 1.00 6.23 O ATOM 0 H SER B 122 -0.499 -8.537 0.056 1.00 5.01 H new ATOM 0 HA SER B 122 0.751 -11.023 -0.461 1.00 4.99 H new ATOM 0 HB2 SER B 122 -0.530 -8.988 -2.345 1.00 5.61 H new ATOM 0 HB3 SER B 122 -0.194 -10.661 -2.741 1.00 5.61 H new ATOM 0 HG SER B 122 -2.391 -10.348 -2.042 1.00 6.23 H new ATOM 1714 N LEU B 123 2.462 -8.431 -1.295 1.00 4.24 N ATOM 1715 CA LEU B 123 3.735 -7.986 -1.854 1.00 4.22 C ATOM 1716 C LEU B 123 4.914 -8.607 -1.114 1.00 4.10 C ATOM 1717 O LEU B 123 6.010 -8.703 -1.657 1.00 4.50 O ATOM 1718 CB LEU B 123 3.841 -6.464 -1.816 1.00 4.40 C ATOM 1719 CG LEU B 123 2.993 -5.721 -2.851 1.00 5.14 C ATOM 1720 CD1 LEU B 123 3.396 -4.258 -2.902 1.00 5.74 C ATOM 1721 CD2 LEU B 123 3.130 -6.357 -4.228 1.00 5.71 C ATOM 0 H LEU B 123 1.971 -7.726 -0.744 1.00 4.24 H new ATOM 0 HA LEU B 123 3.769 -8.317 -2.892 1.00 4.22 H new ATOM 0 HB2 LEU B 123 3.553 -6.121 -0.822 1.00 4.40 H new ATOM 0 HB3 LEU B 123 4.885 -6.186 -1.959 1.00 4.40 H new ATOM 0 HG LEU B 123 1.948 -5.791 -2.550 1.00 5.14 H new ATOM 0 HD11 LEU B 123 2.787 -3.738 -3.641 1.00 5.74 H new ATOM 0 HD12 LEU B 123 3.244 -3.804 -1.923 1.00 5.74 H new ATOM 0 HD13 LEU B 123 4.447 -4.180 -3.179 1.00 5.74 H new ATOM 0 HD21 LEU B 123 2.517 -5.810 -4.944 1.00 5.71 H new ATOM 0 HD22 LEU B 123 4.173 -6.323 -4.542 1.00 5.71 H new ATOM 0 HD23 LEU B 123 2.798 -7.394 -4.184 1.00 5.71 H new