USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=15 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 213 MET CE :methyl 161:sc= 0 (180deg=-0.189) USER MOD Set 1.2: B 117 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 209 THR OG1 : rot -51:sc= 1.86 USER MOD Set 2.2: A 211 GLN : amide:sc= 0.834 K(o=2.7,f=1.1) USER MOD Set 3.1: A 195 THR OG1 : rot -170:sc= 1.16 USER MOD Set 3.2: A 198 GLN : amide:sc= 1.16 K(o=2.3,f=0.4) USER MOD Set 4.1: A 180 LYS NZ :NH3+ -141:sc= 1.23 (180deg=0) USER MOD Set 4.2: A 194 ASN : amide:sc= 0.786 K(o=2,f=-5.8!) USER MOD Single : A 171 ASN : amide:sc= -0.0227 K(o=-0.023,f=-1.2) USER MOD Single : A 172 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 173 MET CE :methyl -152:sc= -0.122 (180deg=-0.588) USER MOD Single : A 174 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.111) USER MOD Single : A 181 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 184 GLN : amide:sc= -0.371 X(o=-0.37,f=-0.46) USER MOD Single : A 188 ASN : amide:sc= 1.22 K(o=1.2,f=-0.43) USER MOD Single : A 192 ASN : amide:sc= -0.396 X(o=-0.4,f=-0.4) USER MOD Single : A 197 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 200 THR OG1 : rot 180:sc= 0.0902 USER MOD Single : A 204 GLN : amide:sc= -0.454 K(o=-0.45,f=-2.2) USER MOD Single : A 205 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 206 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 217 LYS NZ :NH3+ 164:sc= 1.22 (180deg=0.929) USER MOD Single : A 220 TYR OH : rot -67:sc= 0.367 USER MOD Single : A 221 LYS NZ :NH3+ -119:sc= 0.503 (180deg=-0.0397) USER MOD Single : A 223 HIS : no HD1:sc= -0.0845 K(o=-0.085,f=-0.91) USER MOD Single : A 224 GLN : amide:sc= 0.187 X(o=0.19,f=0) USER MOD Single : A 225 GLN : amide:sc= -0.674 X(o=-0.67,f=-1) USER MOD Single : A 229 LYS NZ :NH3+ -165:sc= -0.0117 (180deg=-0.205) USER MOD Single : B 116 ASN : amide:sc= -0.184 X(o=-0.18,f=-0.65) USER MOD Single : B 118 LYS NZ :NH3+ 169:sc= -0.0442 (180deg=-0.266) USER MOD Single : B 121 THR OG1 : rot 180:sc= 0.109 USER MOD Single : B 122 SER OG : rot -118:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 200 N LEU A 169 -6.357 2.126 -7.794 1.00 5.81 N ATOM 201 CA LEU A 169 -5.945 2.293 -6.409 1.00 5.44 C ATOM 202 C LEU A 169 -4.806 1.343 -6.087 1.00 5.18 C ATOM 203 O LEU A 169 -3.856 1.704 -5.394 1.00 5.07 O ATOM 204 CB LEU A 169 -7.122 2.055 -5.462 1.00 5.36 C ATOM 205 CG LEU A 169 -8.196 3.145 -5.475 1.00 5.65 C ATOM 206 CD1 LEU A 169 -9.343 2.770 -4.554 1.00 5.76 C ATOM 207 CD2 LEU A 169 -7.602 4.490 -5.075 1.00 5.82 C ATOM 0 HA LEU A 169 -5.599 3.317 -6.271 1.00 5.44 H new ATOM 0 HB2 LEU A 169 -7.588 1.104 -5.719 1.00 5.36 H new ATOM 0 HB3 LEU A 169 -6.737 1.958 -4.447 1.00 5.36 H new ATOM 0 HG LEU A 169 -8.584 3.234 -6.490 1.00 5.65 H new ATOM 0 HD11 LEU A 169 -10.098 3.556 -4.575 1.00 5.76 H new ATOM 0 HD12 LEU A 169 -9.786 1.832 -4.888 1.00 5.76 H new ATOM 0 HD13 LEU A 169 -8.969 2.653 -3.537 1.00 5.76 H new ATOM 0 HD21 LEU A 169 -8.382 5.251 -5.091 1.00 5.82 H new ATOM 0 HD22 LEU A 169 -7.184 4.419 -4.071 1.00 5.82 H new ATOM 0 HD23 LEU A 169 -6.814 4.763 -5.777 1.00 5.82 H new ATOM 219 N VAL A 170 -4.886 0.137 -6.630 1.00 5.20 N ATOM 220 CA VAL A 170 -3.861 -0.867 -6.397 1.00 5.06 C ATOM 221 C VAL A 170 -2.641 -0.600 -7.278 1.00 5.34 C ATOM 222 O VAL A 170 -1.512 -0.930 -6.916 1.00 5.28 O ATOM 223 CB VAL A 170 -4.381 -2.299 -6.657 1.00 5.24 C ATOM 224 CG1 VAL A 170 -3.494 -3.329 -5.968 1.00 5.25 C ATOM 225 CG2 VAL A 170 -5.823 -2.446 -6.195 1.00 5.42 C ATOM 0 H VAL A 170 -5.649 -0.169 -7.234 1.00 5.20 H new ATOM 0 HA VAL A 170 -3.579 -0.796 -5.347 1.00 5.06 H new ATOM 0 HB VAL A 170 -4.347 -2.478 -7.732 1.00 5.24 H new ATOM 0 HG11 VAL A 170 -3.879 -4.330 -6.164 1.00 5.25 H new ATOM 0 HG12 VAL A 170 -2.477 -3.249 -6.353 1.00 5.25 H new ATOM 0 HG13 VAL A 170 -3.491 -3.146 -4.893 1.00 5.25 H new ATOM 0 HG21 VAL A 170 -6.165 -3.462 -6.389 1.00 5.42 H new ATOM 0 HG22 VAL A 170 -5.886 -2.240 -5.127 1.00 5.42 H new ATOM 0 HG23 VAL A 170 -6.453 -1.741 -6.738 1.00 5.42 H new ATOM 235 N ASN A 171 -2.878 0.019 -8.431 1.00 5.77 N ATOM 236 CA ASN A 171 -1.808 0.343 -9.375 1.00 6.24 C ATOM 237 C ASN A 171 -0.911 1.452 -8.831 1.00 6.25 C ATOM 238 O ASN A 171 0.236 1.611 -9.261 1.00 6.59 O ATOM 239 CB ASN A 171 -2.387 0.769 -10.727 1.00 6.76 C ATOM 240 CG ASN A 171 -2.961 -0.393 -11.520 1.00 7.31 C ATOM 241 OD1 ASN A 171 -2.516 -1.533 -11.387 1.00 7.47 O ATOM 242 ND2 ASN A 171 -3.952 -0.109 -12.356 1.00 7.80 N ATOM 0 H ASN A 171 -3.807 0.309 -8.737 1.00 5.77 H new ATOM 0 HA ASN A 171 -1.208 -0.557 -9.511 1.00 6.24 H new ATOM 0 HB2 ASN A 171 -3.168 1.511 -10.564 1.00 6.76 H new ATOM 0 HB3 ASN A 171 -1.606 1.252 -11.314 1.00 6.76 H new ATOM 0 HD21 ASN A 171 -4.373 -0.849 -12.918 1.00 7.80 H new ATOM 0 HD22 ASN A 171 -4.292 0.849 -12.437 1.00 7.80 H new ATOM 249 N GLN A 172 -1.443 2.220 -7.890 1.00 6.00 N ATOM 250 CA GLN A 172 -0.716 3.330 -7.285 1.00 6.13 C ATOM 251 C GLN A 172 0.152 2.873 -6.117 1.00 5.80 C ATOM 252 O GLN A 172 1.057 3.590 -5.694 1.00 6.06 O ATOM 253 CB GLN A 172 -1.698 4.400 -6.806 1.00 6.13 C ATOM 254 CG GLN A 172 -2.253 5.265 -7.925 1.00 6.58 C ATOM 255 CD GLN A 172 -3.359 6.184 -7.453 1.00 6.95 C ATOM 256 OE1 GLN A 172 -3.118 7.329 -7.057 1.00 7.27 O ATOM 257 NE2 GLN A 172 -4.581 5.685 -7.485 1.00 7.22 N ATOM 0 H GLN A 172 -2.387 2.093 -7.525 1.00 6.00 H new ATOM 0 HA GLN A 172 -0.059 3.745 -8.049 1.00 6.13 H new ATOM 0 HB2 GLN A 172 -2.526 3.915 -6.289 1.00 6.13 H new ATOM 0 HB3 GLN A 172 -1.198 5.039 -6.078 1.00 6.13 H new ATOM 0 HG2 GLN A 172 -1.447 5.861 -8.353 1.00 6.58 H new ATOM 0 HG3 GLN A 172 -2.632 4.624 -8.721 1.00 6.58 H new ATOM 0 HE21 GLN A 172 -4.735 4.734 -7.820 1.00 7.22 H new ATOM 0 HE22 GLN A 172 -5.371 6.251 -7.175 1.00 7.22 H new ATOM 266 N MET A 173 -0.137 1.698 -5.584 1.00 5.33 N ATOM 267 CA MET A 173 0.617 1.173 -4.448 1.00 5.03 C ATOM 268 C MET A 173 1.593 0.080 -4.877 1.00 5.21 C ATOM 269 O MET A 173 1.933 -0.797 -4.088 1.00 5.01 O ATOM 270 CB MET A 173 -0.336 0.649 -3.366 1.00 4.54 C ATOM 271 CG MET A 173 -1.308 1.704 -2.856 1.00 4.49 C ATOM 272 SD MET A 173 -1.892 1.372 -1.181 1.00 4.57 S ATOM 273 CE MET A 173 -0.501 1.958 -0.212 1.00 4.49 C ATOM 0 H MET A 173 -0.885 1.088 -5.915 1.00 5.33 H new ATOM 0 HA MET A 173 1.202 1.993 -4.033 1.00 5.03 H new ATOM 0 HB2 MET A 173 -0.901 -0.192 -3.766 1.00 4.54 H new ATOM 0 HB3 MET A 173 0.250 0.270 -2.529 1.00 4.54 H new ATOM 0 HG2 MET A 173 -0.822 2.679 -2.879 1.00 4.49 H new ATOM 0 HG3 MET A 173 -2.163 1.758 -3.529 1.00 4.49 H new ATOM 0 HE1 MET A 173 -0.456 1.410 0.729 1.00 4.49 H new ATOM 0 HE2 MET A 173 0.423 1.799 -0.769 1.00 4.49 H new ATOM 0 HE3 MET A 173 -0.623 3.022 -0.007 1.00 4.49 H new ATOM 283 N LYS A 174 2.039 0.133 -6.125 1.00 5.68 N ATOM 284 CA LYS A 174 2.964 -0.871 -6.640 1.00 6.02 C ATOM 285 C LYS A 174 4.416 -0.426 -6.489 1.00 6.49 C ATOM 286 O LYS A 174 5.122 -0.882 -5.590 1.00 6.55 O ATOM 287 CB LYS A 174 2.657 -1.182 -8.108 1.00 6.45 C ATOM 288 CG LYS A 174 1.322 -1.880 -8.317 1.00 6.44 C ATOM 289 CD LYS A 174 1.261 -3.204 -7.572 1.00 6.92 C ATOM 290 CE LYS A 174 -0.086 -3.883 -7.753 1.00 7.15 C ATOM 291 NZ LYS A 174 -0.313 -4.294 -9.162 1.00 7.76 N1+ ATOM 0 H LYS A 174 1.778 0.855 -6.797 1.00 5.68 H new ATOM 0 HA LYS A 174 2.828 -1.777 -6.049 1.00 6.02 H new ATOM 0 HB2 LYS A 174 2.664 -0.252 -8.677 1.00 6.45 H new ATOM 0 HB3 LYS A 174 3.452 -1.809 -8.512 1.00 6.45 H new ATOM 0 HG2 LYS A 174 0.515 -1.232 -7.976 1.00 6.44 H new ATOM 0 HG3 LYS A 174 1.164 -2.053 -9.381 1.00 6.44 H new ATOM 0 HD2 LYS A 174 2.052 -3.862 -7.931 1.00 6.92 H new ATOM 0 HD3 LYS A 174 1.445 -3.035 -6.511 1.00 6.92 H new ATOM 0 HE2 LYS A 174 -0.141 -4.758 -7.106 1.00 7.15 H new ATOM 0 HE3 LYS A 174 -0.880 -3.205 -7.440 1.00 7.15 H new ATOM 0 HZ1 LYS A 174 -1.167 -4.885 -9.218 1.00 7.76 H new ATOM 0 HZ2 LYS A 174 -0.438 -3.448 -9.755 1.00 7.76 H new ATOM 0 HZ3 LYS A 174 0.506 -4.837 -9.502 1.00 7.76 H new ATOM 305 N VAL A 175 4.859 0.468 -7.358 1.00 6.90 N ATOM 306 CA VAL A 175 6.228 0.943 -7.303 1.00 7.46 C ATOM 307 C VAL A 175 6.263 2.302 -6.631 1.00 7.44 C ATOM 308 O VAL A 175 6.278 3.348 -7.286 1.00 7.78 O ATOM 309 CB VAL A 175 6.875 1.034 -8.704 1.00 8.18 C ATOM 310 CG1 VAL A 175 8.383 1.188 -8.584 1.00 8.62 C ATOM 311 CG2 VAL A 175 6.522 -0.189 -9.542 1.00 8.33 C ATOM 0 H VAL A 175 4.294 0.875 -8.103 1.00 6.90 H new ATOM 0 HA VAL A 175 6.806 0.221 -6.726 1.00 7.46 H new ATOM 0 HB VAL A 175 6.479 1.915 -9.209 1.00 8.18 H new ATOM 0 HG11 VAL A 175 8.823 1.251 -9.579 1.00 8.62 H new ATOM 0 HG12 VAL A 175 8.613 2.097 -8.028 1.00 8.62 H new ATOM 0 HG13 VAL A 175 8.796 0.327 -8.058 1.00 8.62 H new ATOM 0 HG21 VAL A 175 6.988 -0.104 -10.524 1.00 8.33 H new ATOM 0 HG22 VAL A 175 6.886 -1.088 -9.045 1.00 8.33 H new ATOM 0 HG23 VAL A 175 5.440 -0.251 -9.658 1.00 8.33 H new ATOM 321 N ALA A 176 6.262 2.272 -5.311 1.00 7.10 N ATOM 322 CA ALA A 176 6.294 3.484 -4.513 1.00 7.14 C ATOM 323 C ALA A 176 7.133 3.282 -3.257 1.00 7.24 C ATOM 324 O ALA A 176 7.145 2.194 -2.678 1.00 6.92 O ATOM 325 CB ALA A 176 4.876 3.907 -4.149 1.00 6.59 C ATOM 0 H ALA A 176 6.239 1.411 -4.764 1.00 7.10 H new ATOM 0 HA ALA A 176 6.756 4.276 -5.102 1.00 7.14 H new ATOM 0 HB1 ALA A 176 4.910 4.817 -3.550 1.00 6.59 H new ATOM 0 HB2 ALA A 176 4.307 4.093 -5.060 1.00 6.59 H new ATOM 0 HB3 ALA A 176 4.395 3.114 -3.576 1.00 6.59 H new ATOM 331 N PRO A 177 7.893 4.306 -2.855 1.00 7.75 N ATOM 332 CA PRO A 177 8.725 4.256 -1.655 1.00 7.96 C ATOM 333 C PRO A 177 7.957 4.590 -0.380 1.00 7.58 C ATOM 334 O PRO A 177 6.904 5.237 -0.416 1.00 7.42 O ATOM 335 CB PRO A 177 9.773 5.319 -1.943 1.00 8.76 C ATOM 336 CG PRO A 177 9.062 6.337 -2.756 1.00 8.86 C ATOM 337 CD PRO A 177 8.032 5.594 -3.565 1.00 8.23 C ATOM 0 HA PRO A 177 9.126 3.259 -1.472 1.00 7.96 H new ATOM 0 HB2 PRO A 177 10.164 5.750 -1.021 1.00 8.76 H new ATOM 0 HB3 PRO A 177 10.622 4.902 -2.485 1.00 8.76 H new ATOM 0 HG2 PRO A 177 8.589 7.083 -2.117 1.00 8.86 H new ATOM 0 HG3 PRO A 177 9.757 6.869 -3.406 1.00 8.86 H new ATOM 0 HD2 PRO A 177 7.086 6.135 -3.603 1.00 8.23 H new ATOM 0 HD3 PRO A 177 8.359 5.451 -4.595 1.00 8.23 H new ATOM 345 N ILE A 178 8.497 4.144 0.744 1.00 7.53 N ATOM 346 CA ILE A 178 7.894 4.387 2.043 1.00 7.29 C ATOM 347 C ILE A 178 8.566 5.569 2.724 1.00 7.90 C ATOM 348 O ILE A 178 9.792 5.616 2.823 1.00 8.45 O ATOM 349 CB ILE A 178 8.015 3.149 2.963 1.00 7.03 C ATOM 350 CG1 ILE A 178 7.366 1.927 2.317 1.00 6.56 C ATOM 351 CG2 ILE A 178 7.393 3.420 4.323 1.00 6.79 C ATOM 352 CD1 ILE A 178 8.354 1.019 1.624 1.00 6.69 C ATOM 0 H ILE A 178 9.362 3.605 0.780 1.00 7.53 H new ATOM 0 HA ILE A 178 6.839 4.602 1.876 1.00 7.29 H new ATOM 0 HB ILE A 178 9.076 2.942 3.106 1.00 7.03 H new ATOM 0 HG12 ILE A 178 6.837 1.359 3.082 1.00 6.56 H new ATOM 0 HG13 ILE A 178 6.621 2.260 1.594 1.00 6.56 H new ATOM 0 HG21 ILE A 178 7.491 2.534 4.951 1.00 6.79 H new ATOM 0 HG22 ILE A 178 7.904 4.259 4.796 1.00 6.79 H new ATOM 0 HG23 ILE A 178 6.337 3.662 4.199 1.00 6.79 H new ATOM 0 HD11 ILE A 178 7.825 0.172 1.187 1.00 6.69 H new ATOM 0 HD12 ILE A 178 8.866 1.572 0.837 1.00 6.69 H new ATOM 0 HD13 ILE A 178 9.085 0.657 2.347 1.00 6.69 H new ATOM 364 N PRO A 179 7.774 6.558 3.168 1.00 7.89 N ATOM 365 CA PRO A 179 8.295 7.733 3.867 1.00 8.51 C ATOM 366 C PRO A 179 9.140 7.349 5.072 1.00 8.75 C ATOM 367 O PRO A 179 8.882 6.339 5.734 1.00 8.38 O ATOM 368 CB PRO A 179 7.034 8.464 4.319 1.00 8.36 C ATOM 369 CG PRO A 179 6.004 8.057 3.341 1.00 7.74 C ATOM 370 CD PRO A 179 6.313 6.630 2.995 1.00 7.36 C ATOM 0 HA PRO A 179 8.947 8.333 3.232 1.00 8.51 H new ATOM 0 HB2 PRO A 179 6.753 8.181 5.333 1.00 8.36 H new ATOM 0 HB3 PRO A 179 7.179 9.544 4.318 1.00 8.36 H new ATOM 0 HG2 PRO A 179 5.004 8.149 3.765 1.00 7.74 H new ATOM 0 HG3 PRO A 179 6.034 8.690 2.454 1.00 7.74 H new ATOM 0 HD2 PRO A 179 5.794 5.933 3.653 1.00 7.36 H new ATOM 0 HD3 PRO A 179 6.015 6.388 1.975 1.00 7.36 H new ATOM 378 N LYS A 180 10.126 8.173 5.370 1.00 9.42 N ATOM 379 CA LYS A 180 11.027 7.925 6.488 1.00 9.77 C ATOM 380 C LYS A 180 10.258 7.902 7.802 1.00 9.52 C ATOM 381 O LYS A 180 10.612 7.168 8.723 1.00 9.52 O ATOM 382 CB LYS A 180 12.138 8.977 6.529 1.00 10.55 C ATOM 383 CG LYS A 180 13.062 8.929 5.318 1.00 10.96 C ATOM 384 CD LYS A 180 13.514 7.506 5.013 1.00 11.55 C ATOM 385 CE LYS A 180 14.515 7.465 3.869 1.00 12.03 C ATOM 386 NZ LYS A 180 14.895 6.070 3.510 1.00 12.47 N1+ ATOM 0 H LYS A 180 10.327 9.028 4.851 1.00 9.42 H new ATOM 0 HA LYS A 180 11.488 6.948 6.346 1.00 9.77 H new ATOM 0 HB2 LYS A 180 11.688 9.968 6.594 1.00 10.55 H new ATOM 0 HB3 LYS A 180 12.729 8.835 7.434 1.00 10.55 H new ATOM 0 HG2 LYS A 180 12.547 9.342 4.450 1.00 10.96 H new ATOM 0 HG3 LYS A 180 13.934 9.557 5.500 1.00 10.96 H new ATOM 0 HD2 LYS A 180 13.963 7.068 5.905 1.00 11.55 H new ATOM 0 HD3 LYS A 180 12.647 6.896 4.760 1.00 11.55 H new ATOM 0 HE2 LYS A 180 14.089 7.961 2.997 1.00 12.03 H new ATOM 0 HE3 LYS A 180 15.408 8.024 4.149 1.00 12.03 H new ATOM 0 HZ1 LYS A 180 15.910 6.033 3.288 1.00 12.47 H new ATOM 0 HZ2 LYS A 180 14.692 5.438 4.311 1.00 12.47 H new ATOM 0 HZ3 LYS A 180 14.348 5.764 2.680 1.00 12.47 H new ATOM 400 N GLN A 181 9.188 8.690 7.873 1.00 9.38 N ATOM 401 CA GLN A 181 8.349 8.740 9.067 1.00 9.25 C ATOM 402 C GLN A 181 7.741 7.367 9.350 1.00 8.64 C ATOM 403 O GLN A 181 7.494 7.005 10.500 1.00 8.66 O ATOM 404 CB GLN A 181 7.228 9.770 8.897 1.00 9.25 C ATOM 405 CG GLN A 181 7.526 11.116 9.537 1.00 9.84 C ATOM 406 CD GLN A 181 6.328 12.048 9.511 1.00 9.79 C ATOM 407 OE1 GLN A 181 5.491 12.025 10.414 1.00 9.75 O ATOM 408 NE2 GLN A 181 6.242 12.880 8.486 1.00 9.99 N ATOM 0 H GLN A 181 8.882 9.303 7.117 1.00 9.38 H new ATOM 0 HA GLN A 181 8.977 9.034 9.908 1.00 9.25 H new ATOM 0 HB2 GLN A 181 7.042 9.918 7.833 1.00 9.25 H new ATOM 0 HB3 GLN A 181 6.311 9.369 9.328 1.00 9.25 H new ATOM 0 HG2 GLN A 181 7.841 10.963 10.569 1.00 9.84 H new ATOM 0 HG3 GLN A 181 8.360 11.586 9.016 1.00 9.84 H new ATOM 0 HE21 GLN A 181 6.956 12.868 7.758 1.00 9.99 H new ATOM 0 HE22 GLN A 181 5.461 13.534 8.424 1.00 9.99 H new ATOM 417 N LEU A 182 7.516 6.599 8.292 1.00 8.14 N ATOM 418 CA LEU A 182 6.933 5.272 8.420 1.00 7.55 C ATOM 419 C LEU A 182 8.013 4.199 8.539 1.00 7.61 C ATOM 420 O LEU A 182 7.851 3.232 9.281 1.00 7.33 O ATOM 421 CB LEU A 182 6.018 4.975 7.233 1.00 6.99 C ATOM 422 CG LEU A 182 4.738 5.811 7.177 1.00 6.82 C ATOM 423 CD1 LEU A 182 3.896 5.419 5.976 1.00 6.67 C ATOM 424 CD2 LEU A 182 3.936 5.649 8.460 1.00 6.66 C ATOM 0 H LEU A 182 7.729 6.874 7.333 1.00 8.14 H new ATOM 0 HA LEU A 182 6.341 5.255 9.335 1.00 7.55 H new ATOM 0 HB2 LEU A 182 6.579 5.135 6.312 1.00 6.99 H new ATOM 0 HB3 LEU A 182 5.744 3.920 7.260 1.00 6.99 H new ATOM 0 HG LEU A 182 5.020 6.859 7.075 1.00 6.82 H new ATOM 0 HD11 LEU A 182 2.990 6.025 5.954 1.00 6.67 H new ATOM 0 HD12 LEU A 182 4.466 5.585 5.062 1.00 6.67 H new ATOM 0 HD13 LEU A 182 3.626 4.365 6.049 1.00 6.67 H new ATOM 0 HD21 LEU A 182 3.029 6.251 8.401 1.00 6.66 H new ATOM 0 HD22 LEU A 182 3.667 4.601 8.591 1.00 6.66 H new ATOM 0 HD23 LEU A 182 4.536 5.979 9.308 1.00 6.66 H new ATOM 436 N LEU A 183 9.117 4.380 7.823 1.00 8.04 N ATOM 437 CA LEU A 183 10.219 3.418 7.847 1.00 8.24 C ATOM 438 C LEU A 183 10.834 3.303 9.240 1.00 8.55 C ATOM 439 O LEU A 183 11.402 2.268 9.591 1.00 8.54 O ATOM 440 CB LEU A 183 11.303 3.810 6.840 1.00 8.80 C ATOM 441 CG LEU A 183 11.066 3.332 5.404 1.00 8.62 C ATOM 442 CD1 LEU A 183 12.234 3.728 4.512 1.00 9.31 C ATOM 443 CD2 LEU A 183 10.862 1.823 5.369 1.00 8.25 C ATOM 0 H LEU A 183 9.275 5.185 7.217 1.00 8.04 H new ATOM 0 HA LEU A 183 9.805 2.448 7.572 1.00 8.24 H new ATOM 0 HB2 LEU A 183 11.394 4.896 6.834 1.00 8.80 H new ATOM 0 HB3 LEU A 183 12.257 3.412 7.185 1.00 8.80 H new ATOM 0 HG LEU A 183 10.163 3.812 5.028 1.00 8.62 H new ATOM 0 HD11 LEU A 183 12.049 3.381 3.495 1.00 9.31 H new ATOM 0 HD12 LEU A 183 12.340 4.813 4.511 1.00 9.31 H new ATOM 0 HD13 LEU A 183 13.150 3.274 4.890 1.00 9.31 H new ATOM 0 HD21 LEU A 183 10.695 1.502 4.341 1.00 8.25 H new ATOM 0 HD22 LEU A 183 11.748 1.327 5.765 1.00 8.25 H new ATOM 0 HD23 LEU A 183 9.996 1.559 5.977 1.00 8.25 H new ATOM 455 N GLN A 184 10.707 4.360 10.035 1.00 8.87 N ATOM 456 CA GLN A 184 11.261 4.376 11.387 1.00 9.25 C ATOM 457 C GLN A 184 10.437 3.513 12.340 1.00 8.85 C ATOM 458 O GLN A 184 10.778 3.371 13.516 1.00 9.14 O ATOM 459 CB GLN A 184 11.349 5.808 11.916 1.00 9.76 C ATOM 460 CG GLN A 184 12.391 6.659 11.206 1.00 10.33 C ATOM 461 CD GLN A 184 13.645 5.880 10.863 1.00 10.90 C ATOM 462 OE1 GLN A 184 13.768 5.322 9.772 1.00 11.17 O ATOM 463 NE2 GLN A 184 14.583 5.830 11.791 1.00 11.29 N ATOM 0 H GLN A 184 10.225 5.218 9.768 1.00 8.87 H new ATOM 0 HA GLN A 184 12.265 3.956 11.335 1.00 9.25 H new ATOM 0 HB2 GLN A 184 10.374 6.284 11.815 1.00 9.76 H new ATOM 0 HB3 GLN A 184 11.581 5.779 12.981 1.00 9.76 H new ATOM 0 HG2 GLN A 184 11.960 7.067 10.292 1.00 10.33 H new ATOM 0 HG3 GLN A 184 12.656 7.506 11.839 1.00 10.33 H new ATOM 0 HE21 GLN A 184 14.444 6.305 12.683 1.00 11.29 H new ATOM 0 HE22 GLN A 184 15.447 5.316 11.616 1.00 11.29 H new ATOM 472 N ARG A 185 9.343 2.956 11.837 1.00 8.24 N ATOM 473 CA ARG A 185 8.488 2.099 12.645 1.00 7.89 C ATOM 474 C ARG A 185 8.986 0.660 12.605 1.00 7.66 C ATOM 475 O ARG A 185 8.589 -0.166 13.425 1.00 7.54 O ATOM 476 CB ARG A 185 7.040 2.172 12.161 1.00 7.40 C ATOM 477 CG ARG A 185 6.235 3.282 12.814 1.00 7.66 C ATOM 478 CD ARG A 185 5.352 3.999 11.807 1.00 7.53 C ATOM 479 NE ARG A 185 4.262 4.729 12.456 1.00 7.91 N ATOM 480 CZ ARG A 185 4.144 6.061 12.457 1.00 8.28 C ATOM 481 NH1 ARG A 185 5.080 6.827 11.902 1.00 8.35 N1+ ATOM 482 NH2 ARG A 185 3.092 6.628 13.032 1.00 8.81 N ATOM 0 H ARG A 185 9.028 3.082 10.875 1.00 8.24 H new ATOM 0 HA ARG A 185 8.526 2.453 13.675 1.00 7.89 H new ATOM 0 HB2 ARG A 185 7.034 2.318 11.081 1.00 7.40 H new ATOM 0 HB3 ARG A 185 6.552 1.217 12.357 1.00 7.40 H new ATOM 0 HG2 ARG A 185 5.617 2.865 13.609 1.00 7.66 H new ATOM 0 HG3 ARG A 185 6.912 3.998 13.280 1.00 7.66 H new ATOM 0 HD2 ARG A 185 5.957 4.694 11.224 1.00 7.53 H new ATOM 0 HD3 ARG A 185 4.937 3.273 11.108 1.00 7.53 H new ATOM 0 HE ARG A 185 3.546 4.186 12.939 1.00 7.91 H new ATOM 0 HH11 ARG A 185 5.899 6.399 11.470 1.00 8.35 H new ATOM 0 HH12 ARG A 185 4.979 7.842 11.909 1.00 8.35 H new ATOM 0 HH21 ARG A 185 2.377 6.048 13.471 1.00 8.81 H new ATOM 0 HH22 ARG A 185 2.998 7.644 13.035 1.00 8.81 H new ATOM 496 N ILE A 186 9.863 0.368 11.652 1.00 7.69 N ATOM 497 CA ILE A 186 10.422 -0.970 11.509 1.00 7.57 C ATOM 498 C ILE A 186 11.839 -1.008 12.083 1.00 8.20 C ATOM 499 O ILE A 186 12.770 -0.443 11.506 1.00 8.43 O ATOM 500 CB ILE A 186 10.438 -1.426 10.030 1.00 7.11 C ATOM 501 CG1 ILE A 186 9.021 -1.385 9.446 1.00 6.84 C ATOM 502 CG2 ILE A 186 11.019 -2.833 9.909 1.00 6.83 C ATOM 503 CD1 ILE A 186 8.976 -1.586 7.944 1.00 6.52 C ATOM 0 H ILE A 186 10.203 1.042 10.966 1.00 7.69 H new ATOM 0 HA ILE A 186 9.785 -1.659 12.064 1.00 7.57 H new ATOM 0 HB ILE A 186 11.070 -0.741 9.465 1.00 7.11 H new ATOM 0 HG12 ILE A 186 8.417 -2.156 9.925 1.00 6.84 H new ATOM 0 HG13 ILE A 186 8.565 -0.426 9.689 1.00 6.84 H new ATOM 0 HG21 ILE A 186 11.022 -3.137 8.862 1.00 6.83 H new ATOM 0 HG22 ILE A 186 12.040 -2.839 10.292 1.00 6.83 H new ATOM 0 HG23 ILE A 186 10.411 -3.529 10.487 1.00 6.83 H new ATOM 0 HD11 ILE A 186 7.942 -1.545 7.602 1.00 6.52 H new ATOM 0 HD12 ILE A 186 9.552 -0.801 7.454 1.00 6.52 H new ATOM 0 HD13 ILE A 186 9.402 -2.558 7.694 1.00 6.52 H new ATOM 515 N PRO A 187 12.010 -1.641 13.254 1.00 8.55 N ATOM 516 CA PRO A 187 13.294 -1.753 13.923 1.00 9.18 C ATOM 517 C PRO A 187 14.002 -3.078 13.619 1.00 9.19 C ATOM 518 O PRO A 187 13.640 -3.782 12.677 1.00 8.73 O ATOM 519 CB PRO A 187 12.869 -1.683 15.391 1.00 9.56 C ATOM 520 CG PRO A 187 11.526 -2.346 15.443 1.00 9.11 C ATOM 521 CD PRO A 187 10.953 -2.297 14.044 1.00 8.45 C ATOM 0 HA PRO A 187 14.012 -0.993 13.615 1.00 9.18 H new ATOM 0 HB2 PRO A 187 13.586 -2.195 16.033 1.00 9.56 H new ATOM 0 HB3 PRO A 187 12.812 -0.651 15.736 1.00 9.56 H new ATOM 0 HG2 PRO A 187 11.618 -3.377 15.786 1.00 9.11 H new ATOM 0 HG3 PRO A 187 10.870 -1.833 16.146 1.00 9.11 H new ATOM 0 HD2 PRO A 187 10.733 -3.296 13.667 1.00 8.45 H new ATOM 0 HD3 PRO A 187 10.021 -1.732 14.013 1.00 8.45 H new ATOM 529 N ASN A 188 15.037 -3.366 14.413 1.00 9.77 N ATOM 530 CA ASN A 188 15.844 -4.598 14.322 1.00 9.94 C ATOM 531 C ASN A 188 16.705 -4.669 13.059 1.00 9.83 C ATOM 532 O ASN A 188 17.756 -5.310 13.071 1.00 9.99 O ATOM 533 CB ASN A 188 14.945 -5.841 14.378 1.00 9.66 C ATOM 534 CG ASN A 188 14.147 -5.935 15.662 1.00 9.91 C ATOM 535 OD1 ASN A 188 14.638 -5.606 16.746 1.00 10.35 O ATOM 536 ND2 ASN A 188 12.908 -6.376 15.547 1.00 9.83 N ATOM 0 H ASN A 188 15.348 -2.739 15.155 1.00 9.77 H new ATOM 0 HA ASN A 188 16.516 -4.573 15.180 1.00 9.94 H new ATOM 0 HB2 ASN A 188 14.260 -5.826 13.531 1.00 9.66 H new ATOM 0 HB3 ASN A 188 15.561 -6.734 14.273 1.00 9.66 H new ATOM 0 HD21 ASN A 188 12.316 -6.456 16.374 1.00 9.83 H new ATOM 0 HD22 ASN A 188 12.543 -6.637 14.631 1.00 9.83 H new ATOM 543 N ILE A 189 16.300 -3.979 11.999 1.00 9.66 N ATOM 544 CA ILE A 189 17.049 -3.987 10.751 1.00 9.64 C ATOM 545 C ILE A 189 16.886 -2.676 9.994 1.00 9.96 C ATOM 546 O ILE A 189 15.809 -2.071 10.003 1.00 9.97 O ATOM 547 CB ILE A 189 16.600 -5.135 9.815 1.00 9.24 C ATOM 548 CG1 ILE A 189 15.072 -5.236 9.762 1.00 9.23 C ATOM 549 CG2 ILE A 189 17.220 -6.463 10.233 1.00 9.06 C ATOM 550 CD1 ILE A 189 14.491 -4.854 8.416 1.00 9.09 C ATOM 0 H ILE A 189 15.456 -3.407 11.980 1.00 9.66 H new ATOM 0 HA ILE A 189 18.093 -4.130 11.031 1.00 9.64 H new ATOM 0 HB ILE A 189 16.957 -4.903 8.812 1.00 9.24 H new ATOM 0 HG12 ILE A 189 14.774 -6.257 10.002 1.00 9.23 H new ATOM 0 HG13 ILE A 189 14.646 -4.591 10.530 1.00 9.23 H new ATOM 0 HG21 ILE A 189 16.886 -7.250 9.557 1.00 9.06 H new ATOM 0 HG22 ILE A 189 18.307 -6.386 10.192 1.00 9.06 H new ATOM 0 HG23 ILE A 189 16.912 -6.704 11.250 1.00 9.06 H new ATOM 0 HD11 ILE A 189 13.406 -4.948 8.448 1.00 9.09 H new ATOM 0 HD12 ILE A 189 14.759 -3.824 8.183 1.00 9.09 H new ATOM 0 HD13 ILE A 189 14.890 -5.515 7.647 1.00 9.09 H new ATOM 562 N PRO A 190 17.963 -2.201 9.349 1.00 10.38 N ATOM 563 CA PRO A 190 17.931 -0.996 8.550 1.00 10.85 C ATOM 564 C PRO A 190 17.631 -1.335 7.089 1.00 10.73 C ATOM 565 O PRO A 190 18.389 -2.068 6.446 1.00 11.03 O ATOM 566 CB PRO A 190 19.349 -0.435 8.710 1.00 11.43 C ATOM 567 CG PRO A 190 20.195 -1.558 9.243 1.00 11.22 C ATOM 568 CD PRO A 190 19.311 -2.774 9.362 1.00 10.57 C ATOM 0 HA PRO A 190 17.160 -0.289 8.856 1.00 10.85 H new ATOM 0 HB2 PRO A 190 19.735 -0.078 7.755 1.00 11.43 H new ATOM 0 HB3 PRO A 190 19.355 0.414 9.394 1.00 11.43 H new ATOM 0 HG2 PRO A 190 21.033 -1.757 8.575 1.00 11.22 H new ATOM 0 HG3 PRO A 190 20.616 -1.294 10.213 1.00 11.22 H new ATOM 0 HD2 PRO A 190 19.463 -3.467 8.534 1.00 10.57 H new ATOM 0 HD3 PRO A 190 19.506 -3.327 10.281 1.00 10.57 H new ATOM 576 N PRO A 191 16.518 -0.814 6.550 1.00 10.37 N ATOM 577 CA PRO A 191 16.095 -1.092 5.172 1.00 10.30 C ATOM 578 C PRO A 191 17.171 -0.753 4.131 1.00 10.68 C ATOM 579 O PRO A 191 17.484 -1.581 3.272 1.00 10.94 O ATOM 580 CB PRO A 191 14.852 -0.210 4.979 1.00 9.89 C ATOM 581 CG PRO A 191 14.838 0.749 6.121 1.00 9.82 C ATOM 582 CD PRO A 191 15.589 0.094 7.241 1.00 10.13 C ATOM 0 HA PRO A 191 15.901 -2.155 5.026 1.00 10.30 H new ATOM 0 HB2 PRO A 191 14.895 0.319 4.027 1.00 9.89 H new ATOM 0 HB3 PRO A 191 13.945 -0.814 4.967 1.00 9.89 H new ATOM 0 HG2 PRO A 191 15.306 1.692 5.840 1.00 9.82 H new ATOM 0 HG3 PRO A 191 13.816 0.978 6.422 1.00 9.82 H new ATOM 0 HD2 PRO A 191 16.121 0.826 7.849 1.00 10.13 H new ATOM 0 HD3 PRO A 191 14.920 -0.449 7.909 1.00 10.13 H new ATOM 590 N ASN A 192 17.741 0.452 4.231 1.00 10.83 N ATOM 591 CA ASN A 192 18.786 0.923 3.300 1.00 11.33 C ATOM 592 C ASN A 192 18.202 1.179 1.905 1.00 11.24 C ATOM 593 O ASN A 192 18.928 1.349 0.925 1.00 11.75 O ATOM 594 CB ASN A 192 19.942 -0.092 3.215 1.00 11.90 C ATOM 595 CG ASN A 192 21.134 0.421 2.425 1.00 12.46 C ATOM 596 OD1 ASN A 192 21.752 1.419 2.791 1.00 12.68 O ATOM 597 ND2 ASN A 192 21.462 -0.251 1.331 1.00 12.84 N ATOM 0 H ASN A 192 17.497 1.129 4.953 1.00 10.83 H new ATOM 0 HA ASN A 192 19.178 1.863 3.688 1.00 11.33 H new ATOM 0 HB2 ASN A 192 20.266 -0.348 4.224 1.00 11.90 H new ATOM 0 HB3 ASN A 192 19.577 -1.010 2.754 1.00 11.90 H new ATOM 0 HD21 ASN A 192 22.251 0.056 0.761 1.00 12.84 H new ATOM 0 HD22 ASN A 192 20.926 -1.075 1.059 1.00 12.84 H new ATOM 604 N ILE A 193 16.878 1.252 1.835 1.00 10.63 N ATOM 605 CA ILE A 193 16.171 1.489 0.579 1.00 10.51 C ATOM 606 C ILE A 193 14.886 2.255 0.836 1.00 9.90 C ATOM 607 O ILE A 193 14.605 2.623 1.975 1.00 9.52 O ATOM 608 CB ILE A 193 15.864 0.170 -0.169 1.00 10.37 C ATOM 609 CG1 ILE A 193 15.675 -0.993 0.807 1.00 10.58 C ATOM 610 CG2 ILE A 193 16.987 -0.144 -1.141 1.00 10.81 C ATOM 611 CD1 ILE A 193 14.293 -1.071 1.413 1.00 10.26 C ATOM 0 H ILE A 193 16.265 1.149 2.644 1.00 10.63 H new ATOM 0 HA ILE A 193 16.826 2.084 -0.058 1.00 10.51 H new ATOM 0 HB ILE A 193 14.932 0.301 -0.719 1.00 10.37 H new ATOM 0 HG12 ILE A 193 15.885 -1.928 0.287 1.00 10.58 H new ATOM 0 HG13 ILE A 193 16.407 -0.903 1.609 1.00 10.58 H new ATOM 0 HG21 ILE A 193 16.765 -1.074 -1.665 1.00 10.81 H new ATOM 0 HG22 ILE A 193 17.080 0.667 -1.864 1.00 10.81 H new ATOM 0 HG23 ILE A 193 17.923 -0.250 -0.593 1.00 10.81 H new ATOM 0 HD11 ILE A 193 14.241 -1.922 2.093 1.00 10.26 H new ATOM 0 HD12 ILE A 193 14.085 -0.154 1.963 1.00 10.26 H new ATOM 0 HD13 ILE A 193 13.555 -1.194 0.621 1.00 10.26 H new ATOM 623 N ASN A 194 14.105 2.494 -0.212 1.00 9.87 N ATOM 624 CA ASN A 194 12.863 3.242 -0.053 1.00 9.35 C ATOM 625 C ASN A 194 11.697 2.626 -0.827 1.00 8.86 C ATOM 626 O ASN A 194 10.596 2.520 -0.295 1.00 8.57 O ATOM 627 CB ASN A 194 13.069 4.702 -0.481 1.00 9.78 C ATOM 628 CG ASN A 194 12.718 5.692 0.614 1.00 10.10 C ATOM 629 OD1 ASN A 194 12.957 5.443 1.793 1.00 10.43 O ATOM 630 ND2 ASN A 194 12.151 6.829 0.232 1.00 10.17 N ATOM 0 H ASN A 194 14.304 2.187 -1.164 1.00 9.87 H new ATOM 0 HA ASN A 194 12.599 3.200 1.004 1.00 9.35 H new ATOM 0 HB2 ASN A 194 14.109 4.846 -0.775 1.00 9.78 H new ATOM 0 HB3 ASN A 194 12.458 4.908 -1.360 1.00 9.78 H new ATOM 0 HD21 ASN A 194 11.898 7.532 0.927 1.00 10.17 H new ATOM 0 HD22 ASN A 194 11.968 7.001 -0.757 1.00 10.17 H new ATOM 637 N THR A 195 11.933 2.199 -2.065 1.00 8.88 N ATOM 638 CA THR A 195 10.869 1.633 -2.891 1.00 8.49 C ATOM 639 C THR A 195 10.460 0.238 -2.431 1.00 7.92 C ATOM 640 O THR A 195 11.314 -0.589 -2.114 1.00 8.08 O ATOM 641 CB THR A 195 11.305 1.568 -4.363 1.00 9.05 C ATOM 642 OG1 THR A 195 12.726 1.732 -4.456 1.00 9.80 O ATOM 643 CG2 THR A 195 10.610 2.644 -5.178 1.00 8.98 C ATOM 0 H THR A 195 12.847 2.234 -2.517 1.00 8.88 H new ATOM 0 HA THR A 195 10.008 2.293 -2.786 1.00 8.49 H new ATOM 0 HB THR A 195 11.024 0.594 -4.764 1.00 9.05 H new ATOM 0 HG1 THR A 195 12.981 1.848 -5.395 1.00 9.80 H new ATOM 0 HG21 THR A 195 10.933 2.579 -6.217 1.00 8.98 H new ATOM 0 HG22 THR A 195 9.531 2.501 -5.124 1.00 8.98 H new ATOM 0 HG23 THR A 195 10.866 3.625 -4.779 1.00 8.98 H new ATOM 651 N TRP A 196 9.143 -0.005 -2.416 1.00 7.29 N ATOM 652 CA TRP A 196 8.573 -1.294 -2.008 1.00 6.73 C ATOM 653 C TRP A 196 9.241 -2.462 -2.733 1.00 7.00 C ATOM 654 O TRP A 196 9.481 -3.508 -2.137 1.00 6.84 O ATOM 655 CB TRP A 196 7.061 -1.326 -2.281 1.00 6.14 C ATOM 656 CG TRP A 196 6.215 -0.846 -1.135 1.00 5.65 C ATOM 657 CD1 TRP A 196 5.330 0.196 -1.147 1.00 5.54 C ATOM 658 CD2 TRP A 196 6.162 -1.398 0.187 1.00 5.33 C ATOM 659 NE1 TRP A 196 4.743 0.333 0.088 1.00 5.20 N ATOM 660 CE2 TRP A 196 5.234 -0.632 0.923 1.00 5.06 C ATOM 661 CE3 TRP A 196 6.812 -2.458 0.823 1.00 5.33 C ATOM 662 CZ2 TRP A 196 4.943 -0.893 2.258 1.00 4.84 C ATOM 663 CZ3 TRP A 196 6.519 -2.720 2.149 1.00 5.05 C ATOM 664 CH2 TRP A 196 5.591 -1.939 2.855 1.00 4.82 C ATOM 0 H TRP A 196 8.444 0.687 -2.686 1.00 7.29 H new ATOM 0 HA TRP A 196 8.755 -1.401 -0.939 1.00 6.73 H new ATOM 0 HB2 TRP A 196 6.849 -0.712 -3.156 1.00 6.14 H new ATOM 0 HB3 TRP A 196 6.770 -2.347 -2.530 1.00 6.14 H new ATOM 0 HD1 TRP A 196 5.122 0.821 -2.003 1.00 5.54 H new ATOM 0 HE1 TRP A 196 4.053 1.040 0.341 1.00 5.20 H new ATOM 0 HE3 TRP A 196 7.530 -3.062 0.289 1.00 5.33 H new ATOM 0 HZ2 TRP A 196 4.231 -0.291 2.803 1.00 4.84 H new ATOM 0 HZ3 TRP A 196 7.013 -3.540 2.650 1.00 5.05 H new ATOM 0 HH2 TRP A 196 5.385 -2.168 3.890 1.00 4.82 H new ATOM 675 N GLN A 197 9.548 -2.263 -4.012 1.00 7.47 N ATOM 676 CA GLN A 197 10.191 -3.291 -4.826 1.00 7.85 C ATOM 677 C GLN A 197 11.521 -3.739 -4.211 1.00 8.27 C ATOM 678 O GLN A 197 11.881 -4.916 -4.265 1.00 8.37 O ATOM 679 CB GLN A 197 10.416 -2.760 -6.249 1.00 8.38 C ATOM 680 CG GLN A 197 11.065 -3.763 -7.189 1.00 8.33 C ATOM 681 CD GLN A 197 11.726 -3.093 -8.378 1.00 8.43 C ATOM 682 OE1 GLN A 197 12.875 -2.664 -8.300 1.00 8.59 O ATOM 683 NE2 GLN A 197 11.017 -3.011 -9.495 1.00 8.60 N ATOM 0 H GLN A 197 9.360 -1.393 -4.510 1.00 7.47 H new ATOM 0 HA GLN A 197 9.533 -4.159 -4.863 1.00 7.85 H new ATOM 0 HB2 GLN A 197 9.457 -2.454 -6.667 1.00 8.38 H new ATOM 0 HB3 GLN A 197 11.041 -1.868 -6.198 1.00 8.38 H new ATOM 0 HG2 GLN A 197 11.808 -4.342 -6.642 1.00 8.33 H new ATOM 0 HG3 GLN A 197 10.311 -4.466 -7.544 1.00 8.33 H new ATOM 0 HE21 GLN A 197 10.066 -3.378 -9.523 1.00 8.60 H new ATOM 0 HE22 GLN A 197 11.423 -2.581 -10.326 1.00 8.60 H new ATOM 692 N GLN A 198 12.249 -2.793 -3.631 1.00 8.57 N ATOM 693 CA GLN A 198 13.533 -3.088 -3.005 1.00 9.03 C ATOM 694 C GLN A 198 13.348 -3.513 -1.548 1.00 8.61 C ATOM 695 O GLN A 198 14.233 -4.125 -0.956 1.00 8.82 O ATOM 696 CB GLN A 198 14.457 -1.873 -3.092 1.00 9.66 C ATOM 697 CG GLN A 198 14.743 -1.428 -4.516 1.00 10.19 C ATOM 698 CD GLN A 198 15.775 -0.319 -4.579 1.00 10.85 C ATOM 699 OE1 GLN A 198 16.973 -0.575 -4.678 1.00 11.11 O ATOM 700 NE2 GLN A 198 15.322 0.922 -4.525 1.00 11.29 N ATOM 0 H GLN A 198 11.972 -1.813 -3.581 1.00 8.57 H new ATOM 0 HA GLN A 198 13.991 -3.918 -3.544 1.00 9.03 H new ATOM 0 HB2 GLN A 198 14.007 -1.045 -2.545 1.00 9.66 H new ATOM 0 HB3 GLN A 198 15.399 -2.107 -2.597 1.00 9.66 H new ATOM 0 HG2 GLN A 198 15.094 -2.281 -5.097 1.00 10.19 H new ATOM 0 HG3 GLN A 198 13.818 -1.086 -4.980 1.00 10.19 H new ATOM 0 HE21 GLN A 198 14.320 1.096 -4.443 1.00 11.29 H new ATOM 0 HE22 GLN A 198 15.974 1.705 -4.566 1.00 11.29 H new ATOM 709 N VAL A 199 12.194 -3.190 -0.977 1.00 8.07 N ATOM 710 CA VAL A 199 11.902 -3.534 0.412 1.00 7.70 C ATOM 711 C VAL A 199 11.724 -5.047 0.572 1.00 7.32 C ATOM 712 O VAL A 199 12.130 -5.630 1.576 1.00 7.31 O ATOM 713 CB VAL A 199 10.636 -2.800 0.921 1.00 7.25 C ATOM 714 CG1 VAL A 199 10.352 -3.139 2.376 1.00 7.19 C ATOM 715 CG2 VAL A 199 10.775 -1.292 0.748 1.00 7.41 C ATOM 0 H VAL A 199 11.444 -2.690 -1.454 1.00 8.07 H new ATOM 0 HA VAL A 199 12.752 -3.211 1.013 1.00 7.70 H new ATOM 0 HB VAL A 199 9.793 -3.142 0.320 1.00 7.25 H new ATOM 0 HG11 VAL A 199 9.458 -2.609 2.705 1.00 7.19 H new ATOM 0 HG12 VAL A 199 10.195 -4.213 2.475 1.00 7.19 H new ATOM 0 HG13 VAL A 199 11.199 -2.838 2.992 1.00 7.19 H new ATOM 0 HG21 VAL A 199 9.874 -0.799 1.113 1.00 7.41 H new ATOM 0 HG22 VAL A 199 11.636 -0.939 1.315 1.00 7.41 H new ATOM 0 HG23 VAL A 199 10.915 -1.058 -0.307 1.00 7.41 H new ATOM 725 N THR A 200 11.134 -5.679 -0.433 1.00 7.10 N ATOM 726 CA THR A 200 10.902 -7.116 -0.409 1.00 6.83 C ATOM 727 C THR A 200 12.199 -7.911 -0.560 1.00 7.39 C ATOM 728 O THR A 200 12.251 -9.095 -0.226 1.00 7.30 O ATOM 729 CB THR A 200 9.925 -7.532 -1.517 1.00 6.60 C ATOM 730 OG1 THR A 200 9.454 -6.363 -2.202 1.00 6.76 O ATOM 731 CG2 THR A 200 8.750 -8.302 -0.934 1.00 6.11 C ATOM 0 H THR A 200 10.806 -5.215 -1.280 1.00 7.10 H new ATOM 0 HA THR A 200 10.470 -7.344 0.565 1.00 6.83 H new ATOM 0 HB THR A 200 10.445 -8.182 -2.221 1.00 6.60 H new ATOM 0 HG1 THR A 200 8.831 -6.628 -2.911 1.00 6.76 H new ATOM 0 HG21 THR A 200 8.069 -8.588 -1.735 1.00 6.11 H new ATOM 0 HG22 THR A 200 9.115 -9.198 -0.431 1.00 6.11 H new ATOM 0 HG23 THR A 200 8.223 -7.673 -0.217 1.00 6.11 H new ATOM 739 N ALA A 201 13.246 -7.258 -1.062 1.00 8.02 N ATOM 740 CA ALA A 201 14.535 -7.912 -1.264 1.00 8.63 C ATOM 741 C ALA A 201 15.044 -8.563 0.020 1.00 8.64 C ATOM 742 O ALA A 201 15.477 -9.714 0.012 1.00 8.93 O ATOM 743 CB ALA A 201 15.557 -6.918 -1.798 1.00 9.32 C ATOM 0 H ALA A 201 13.225 -6.276 -1.336 1.00 8.02 H new ATOM 0 HA ALA A 201 14.393 -8.703 -2.001 1.00 8.63 H new ATOM 0 HB1 ALA A 201 16.513 -7.421 -1.943 1.00 9.32 H new ATOM 0 HB2 ALA A 201 15.210 -6.516 -2.750 1.00 9.32 H new ATOM 0 HB3 ALA A 201 15.681 -6.104 -1.084 1.00 9.32 H new ATOM 749 N LEU A 202 14.961 -7.838 1.133 1.00 8.38 N ATOM 750 CA LEU A 202 15.424 -8.365 2.413 1.00 8.45 C ATOM 751 C LEU A 202 14.481 -9.454 2.932 1.00 8.04 C ATOM 752 O LEU A 202 14.871 -10.280 3.760 1.00 8.27 O ATOM 753 CB LEU A 202 15.590 -7.242 3.447 1.00 8.32 C ATOM 754 CG LEU A 202 14.442 -6.232 3.532 1.00 8.50 C ATOM 755 CD1 LEU A 202 13.481 -6.599 4.651 1.00 8.35 C ATOM 756 CD2 LEU A 202 14.991 -4.828 3.734 1.00 9.03 C ATOM 0 H LEU A 202 14.581 -6.892 1.175 1.00 8.38 H new ATOM 0 HA LEU A 202 16.403 -8.817 2.252 1.00 8.45 H new ATOM 0 HB2 LEU A 202 15.721 -7.696 4.429 1.00 8.32 H new ATOM 0 HB3 LEU A 202 16.508 -6.700 3.221 1.00 8.32 H new ATOM 0 HG LEU A 202 13.890 -6.258 2.593 1.00 8.50 H new ATOM 0 HD11 LEU A 202 12.674 -5.867 4.692 1.00 8.35 H new ATOM 0 HD12 LEU A 202 13.064 -7.589 4.463 1.00 8.35 H new ATOM 0 HD13 LEU A 202 14.014 -6.605 5.602 1.00 8.35 H new ATOM 0 HD21 LEU A 202 14.165 -4.119 3.793 1.00 9.03 H new ATOM 0 HD22 LEU A 202 15.567 -4.792 4.659 1.00 9.03 H new ATOM 0 HD23 LEU A 202 15.635 -4.565 2.895 1.00 9.03 H new ATOM 768 N ALA A 203 13.246 -9.460 2.434 1.00 7.51 N ATOM 769 CA ALA A 203 12.271 -10.473 2.832 1.00 7.19 C ATOM 770 C ALA A 203 12.634 -11.795 2.179 1.00 7.64 C ATOM 771 O ALA A 203 12.543 -12.855 2.794 1.00 7.71 O ATOM 772 CB ALA A 203 10.858 -10.054 2.443 1.00 6.60 C ATOM 0 H ALA A 203 12.898 -8.779 1.758 1.00 7.51 H new ATOM 0 HA ALA A 203 12.294 -10.583 3.916 1.00 7.19 H new ATOM 0 HB1 ALA A 203 10.152 -10.825 2.751 1.00 6.60 H new ATOM 0 HB2 ALA A 203 10.608 -9.115 2.937 1.00 6.60 H new ATOM 0 HB3 ALA A 203 10.802 -9.921 1.363 1.00 6.60 H new ATOM 778 N GLN A 204 13.089 -11.706 0.934 1.00 8.03 N ATOM 779 CA GLN A 204 13.501 -12.880 0.175 1.00 8.56 C ATOM 780 C GLN A 204 14.766 -13.476 0.779 1.00 9.11 C ATOM 781 O GLN A 204 15.048 -14.661 0.616 1.00 9.51 O ATOM 782 CB GLN A 204 13.740 -12.508 -1.290 1.00 8.89 C ATOM 783 CG GLN A 204 12.462 -12.240 -2.067 1.00 8.56 C ATOM 784 CD GLN A 204 12.555 -11.003 -2.936 1.00 8.93 C ATOM 785 OE1 GLN A 204 13.645 -10.562 -3.297 1.00 9.22 O ATOM 786 NE2 GLN A 204 11.411 -10.453 -3.312 1.00 9.16 N ATOM 0 H GLN A 204 13.182 -10.826 0.427 1.00 8.03 H new ATOM 0 HA GLN A 204 12.705 -13.623 0.220 1.00 8.56 H new ATOM 0 HB2 GLN A 204 14.373 -11.622 -1.332 1.00 8.89 H new ATOM 0 HB3 GLN A 204 14.288 -13.315 -1.776 1.00 8.89 H new ATOM 0 HG2 GLN A 204 12.235 -13.103 -2.693 1.00 8.56 H new ATOM 0 HG3 GLN A 204 11.634 -12.126 -1.368 1.00 8.56 H new ATOM 0 HE21 GLN A 204 10.526 -10.847 -2.992 1.00 9.16 H new ATOM 0 HE22 GLN A 204 11.414 -9.635 -3.922 1.00 9.16 H new ATOM 795 N GLN A 205 15.519 -12.641 1.486 1.00 9.17 N ATOM 796 CA GLN A 205 16.750 -13.073 2.137 1.00 9.72 C ATOM 797 C GLN A 205 16.444 -13.670 3.504 1.00 9.52 C ATOM 798 O GLN A 205 17.347 -14.139 4.199 1.00 9.93 O ATOM 799 CB GLN A 205 17.718 -11.900 2.296 1.00 10.00 C ATOM 800 CG GLN A 205 18.174 -11.296 0.982 1.00 10.36 C ATOM 801 CD GLN A 205 19.183 -10.187 1.182 1.00 10.95 C ATOM 802 OE1 GLN A 205 18.824 -9.016 1.297 1.00 11.13 O ATOM 803 NE2 GLN A 205 20.455 -10.549 1.229 1.00 11.44 N ATOM 0 H GLN A 205 15.296 -11.655 1.623 1.00 9.17 H new ATOM 0 HA GLN A 205 17.216 -13.832 1.509 1.00 9.72 H new ATOM 0 HB2 GLN A 205 17.239 -11.125 2.894 1.00 10.00 H new ATOM 0 HB3 GLN A 205 18.593 -12.237 2.853 1.00 10.00 H new ATOM 0 HG2 GLN A 205 18.612 -12.075 0.359 1.00 10.36 H new ATOM 0 HG3 GLN A 205 17.310 -10.906 0.444 1.00 10.36 H new ATOM 0 HE21 GLN A 205 20.710 -11.532 1.129 1.00 11.44 H new ATOM 0 HE22 GLN A 205 21.181 -9.845 1.365 1.00 11.44 H new ATOM 812 N LYS A 206 15.164 -13.637 3.876 1.00 8.93 N ATOM 813 CA LYS A 206 14.694 -14.161 5.157 1.00 8.75 C ATOM 814 C LYS A 206 15.374 -13.451 6.322 1.00 8.72 C ATOM 815 O LYS A 206 15.816 -14.078 7.285 1.00 8.89 O ATOM 816 CB LYS A 206 14.908 -15.677 5.236 1.00 9.26 C ATOM 817 CG LYS A 206 14.243 -16.445 4.103 1.00 9.36 C ATOM 818 CD LYS A 206 12.767 -16.094 3.981 1.00 9.64 C ATOM 819 CE LYS A 206 12.141 -16.726 2.751 1.00 9.95 C ATOM 820 NZ LYS A 206 10.721 -16.321 2.579 1.00 10.29 N1+ ATOM 0 H LYS A 206 14.423 -13.245 3.295 1.00 8.93 H new ATOM 0 HA LYS A 206 13.624 -13.967 5.229 1.00 8.75 H new ATOM 0 HB2 LYS A 206 15.978 -15.886 5.227 1.00 9.26 H new ATOM 0 HB3 LYS A 206 14.521 -16.041 6.187 1.00 9.26 H new ATOM 0 HG2 LYS A 206 14.750 -16.222 3.164 1.00 9.36 H new ATOM 0 HG3 LYS A 206 14.350 -17.516 4.276 1.00 9.36 H new ATOM 0 HD2 LYS A 206 12.238 -16.430 4.873 1.00 9.64 H new ATOM 0 HD3 LYS A 206 12.653 -15.011 3.932 1.00 9.64 H new ATOM 0 HE2 LYS A 206 12.710 -16.439 1.867 1.00 9.95 H new ATOM 0 HE3 LYS A 206 12.201 -17.811 2.830 1.00 9.95 H new ATOM 0 HZ1 LYS A 206 10.331 -16.774 1.728 1.00 10.29 H new ATOM 0 HZ2 LYS A 206 10.172 -16.617 3.411 1.00 10.29 H new ATOM 0 HZ3 LYS A 206 10.665 -15.288 2.477 1.00 10.29 H new ATOM 834 N LEU A 207 15.450 -12.132 6.220 1.00 8.58 N ATOM 835 CA LEU A 207 16.052 -11.315 7.259 1.00 8.66 C ATOM 836 C LEU A 207 14.963 -10.605 8.047 1.00 8.06 C ATOM 837 O LEU A 207 15.198 -9.569 8.661 1.00 8.10 O ATOM 838 CB LEU A 207 17.014 -10.291 6.648 1.00 9.02 C ATOM 839 CG LEU A 207 18.369 -10.840 6.196 1.00 9.66 C ATOM 840 CD1 LEU A 207 19.133 -9.792 5.404 1.00 9.96 C ATOM 841 CD2 LEU A 207 19.184 -11.303 7.392 1.00 10.21 C ATOM 0 H LEU A 207 15.099 -11.603 5.421 1.00 8.58 H new ATOM 0 HA LEU A 207 16.619 -11.960 7.930 1.00 8.66 H new ATOM 0 HB2 LEU A 207 16.526 -9.828 5.790 1.00 9.02 H new ATOM 0 HB3 LEU A 207 17.188 -9.502 7.380 1.00 9.02 H new ATOM 0 HG LEU A 207 18.192 -11.698 5.548 1.00 9.66 H new ATOM 0 HD11 LEU A 207 20.094 -10.201 5.091 1.00 9.96 H new ATOM 0 HD12 LEU A 207 18.556 -9.509 4.524 1.00 9.96 H new ATOM 0 HD13 LEU A 207 19.298 -8.914 6.028 1.00 9.96 H new ATOM 0 HD21 LEU A 207 20.144 -11.690 7.050 1.00 10.21 H new ATOM 0 HD22 LEU A 207 19.351 -10.463 8.066 1.00 10.21 H new ATOM 0 HD23 LEU A 207 18.643 -12.089 7.919 1.00 10.21 H new ATOM 853 N LEU A 208 13.767 -11.177 8.019 1.00 7.59 N ATOM 854 CA LEU A 208 12.625 -10.606 8.710 1.00 7.05 C ATOM 855 C LEU A 208 12.005 -11.621 9.654 1.00 6.95 C ATOM 856 O LEU A 208 11.960 -12.817 9.365 1.00 6.96 O ATOM 857 CB LEU A 208 11.585 -10.137 7.692 1.00 6.63 C ATOM 858 CG LEU A 208 10.951 -8.784 7.994 1.00 6.34 C ATOM 859 CD1 LEU A 208 11.986 -7.676 7.880 1.00 6.60 C ATOM 860 CD2 LEU A 208 9.785 -8.526 7.057 1.00 5.96 C ATOM 0 H LEU A 208 13.564 -12.043 7.520 1.00 7.59 H new ATOM 0 HA LEU A 208 12.966 -9.753 9.297 1.00 7.05 H new ATOM 0 HB2 LEU A 208 12.056 -10.089 6.710 1.00 6.63 H new ATOM 0 HB3 LEU A 208 10.795 -10.886 7.631 1.00 6.63 H new ATOM 0 HG LEU A 208 10.574 -8.797 9.017 1.00 6.34 H new ATOM 0 HD11 LEU A 208 11.517 -6.716 8.099 1.00 6.60 H new ATOM 0 HD12 LEU A 208 12.792 -7.857 8.591 1.00 6.60 H new ATOM 0 HD13 LEU A 208 12.392 -7.660 6.868 1.00 6.60 H new ATOM 0 HD21 LEU A 208 9.343 -7.556 7.285 1.00 5.96 H new ATOM 0 HD22 LEU A 208 10.139 -8.530 6.026 1.00 5.96 H new ATOM 0 HD23 LEU A 208 9.035 -9.306 7.186 1.00 5.96 H new ATOM 872 N THR A 209 11.549 -11.135 10.790 1.00 6.97 N ATOM 873 CA THR A 209 10.915 -11.966 11.790 1.00 7.00 C ATOM 874 C THR A 209 9.475 -11.500 11.994 1.00 6.57 C ATOM 875 O THR A 209 9.107 -10.417 11.529 1.00 6.24 O ATOM 876 CB THR A 209 11.685 -11.901 13.130 1.00 7.40 C ATOM 877 OG1 THR A 209 11.770 -10.546 13.597 1.00 7.39 O ATOM 878 CG2 THR A 209 13.087 -12.472 12.976 1.00 7.89 C ATOM 0 H THR A 209 11.608 -10.149 11.046 1.00 6.97 H new ATOM 0 HA THR A 209 10.923 -13.000 11.444 1.00 7.00 H new ATOM 0 HB THR A 209 11.137 -12.498 13.859 1.00 7.40 H new ATOM 0 HG1 THR A 209 12.116 -9.974 12.880 1.00 7.39 H new ATOM 0 HG21 THR A 209 13.610 -12.416 13.931 1.00 7.89 H new ATOM 0 HG22 THR A 209 13.023 -13.513 12.658 1.00 7.89 H new ATOM 0 HG23 THR A 209 13.634 -11.897 12.229 1.00 7.89 H new ATOM 886 N PRO A 210 8.626 -12.300 12.669 1.00 6.66 N ATOM 887 CA PRO A 210 7.227 -11.924 12.925 1.00 6.45 C ATOM 888 C PRO A 210 7.103 -10.577 13.632 1.00 6.38 C ATOM 889 O PRO A 210 6.074 -9.910 13.537 1.00 6.16 O ATOM 890 CB PRO A 210 6.723 -13.044 13.834 1.00 6.85 C ATOM 891 CG PRO A 210 7.585 -14.211 13.518 1.00 7.16 C ATOM 892 CD PRO A 210 8.939 -13.642 13.203 1.00 7.08 C ATOM 0 HA PRO A 210 6.662 -11.813 12.000 1.00 6.45 H new ATOM 0 HB2 PRO A 210 6.804 -12.766 14.885 1.00 6.85 H new ATOM 0 HB3 PRO A 210 5.673 -13.265 13.643 1.00 6.85 H new ATOM 0 HG2 PRO A 210 7.636 -14.900 14.361 1.00 7.16 H new ATOM 0 HG3 PRO A 210 7.189 -14.772 12.671 1.00 7.16 H new ATOM 0 HD2 PRO A 210 9.568 -13.585 14.091 1.00 7.08 H new ATOM 0 HD3 PRO A 210 9.472 -14.251 12.473 1.00 7.08 H new ATOM 900 N GLN A 211 8.164 -10.176 14.319 1.00 6.66 N ATOM 901 CA GLN A 211 8.177 -8.912 15.045 1.00 6.77 C ATOM 902 C GLN A 211 8.147 -7.748 14.064 1.00 6.45 C ATOM 903 O GLN A 211 7.315 -6.846 14.171 1.00 6.38 O ATOM 904 CB GLN A 211 9.426 -8.786 15.923 1.00 7.30 C ATOM 905 CG GLN A 211 9.987 -10.108 16.426 1.00 7.72 C ATOM 906 CD GLN A 211 11.314 -9.927 17.127 1.00 8.30 C ATOM 907 OE1 GLN A 211 11.372 -9.789 18.350 1.00 8.70 O ATOM 908 NE2 GLN A 211 12.391 -9.911 16.353 1.00 8.61 N ATOM 0 H GLN A 211 9.030 -10.710 14.389 1.00 6.66 H new ATOM 0 HA GLN A 211 7.294 -8.889 15.684 1.00 6.77 H new ATOM 0 HB2 GLN A 211 10.201 -8.270 15.356 1.00 7.30 H new ATOM 0 HB3 GLN A 211 9.188 -8.158 16.782 1.00 7.30 H new ATOM 0 HG2 GLN A 211 9.274 -10.568 17.111 1.00 7.72 H new ATOM 0 HG3 GLN A 211 10.110 -10.793 15.587 1.00 7.72 H new ATOM 0 HE21 GLN A 211 12.296 -10.029 15.344 1.00 8.61 H new ATOM 0 HE22 GLN A 211 13.314 -9.781 16.766 1.00 8.61 H new ATOM 917 N ASP A 212 9.051 -7.791 13.092 1.00 6.37 N ATOM 918 CA ASP A 212 9.157 -6.737 12.095 1.00 6.18 C ATOM 919 C ASP A 212 7.978 -6.795 11.135 1.00 5.63 C ATOM 920 O ASP A 212 7.533 -5.771 10.621 1.00 5.44 O ATOM 921 CB ASP A 212 10.476 -6.856 11.325 1.00 6.44 C ATOM 922 CG ASP A 212 11.529 -7.622 12.099 1.00 7.03 C ATOM 923 OD1 ASP A 212 11.955 -7.148 13.172 1.00 7.34 O1- ATOM 924 OD2 ASP A 212 11.905 -8.725 11.652 1.00 7.38 O ATOM 0 H ASP A 212 9.723 -8.549 12.975 1.00 6.37 H new ATOM 0 HA ASP A 212 9.142 -5.775 12.608 1.00 6.18 H new ATOM 0 HB2 ASP A 212 10.294 -7.355 10.373 1.00 6.44 H new ATOM 0 HB3 ASP A 212 10.851 -5.859 11.096 1.00 6.44 H new ATOM 929 N MET A 213 7.460 -7.998 10.906 1.00 5.47 N ATOM 930 CA MET A 213 6.320 -8.182 10.017 1.00 5.06 C ATOM 931 C MET A 213 5.084 -7.506 10.595 1.00 4.94 C ATOM 932 O MET A 213 4.268 -6.946 9.861 1.00 4.64 O ATOM 933 CB MET A 213 6.041 -9.668 9.782 1.00 5.15 C ATOM 934 CG MET A 213 6.852 -10.267 8.645 1.00 5.33 C ATOM 935 SD MET A 213 6.399 -11.974 8.294 1.00 5.56 S ATOM 936 CE MET A 213 7.307 -12.246 6.775 1.00 5.57 C ATOM 0 H MET A 213 7.812 -8.859 11.324 1.00 5.47 H new ATOM 0 HA MET A 213 6.563 -7.722 9.059 1.00 5.06 H new ATOM 0 HB2 MET A 213 6.254 -10.218 10.698 1.00 5.15 H new ATOM 0 HB3 MET A 213 4.980 -9.801 9.570 1.00 5.15 H new ATOM 0 HG2 MET A 213 6.711 -9.666 7.747 1.00 5.33 H new ATOM 0 HG3 MET A 213 7.912 -10.221 8.896 1.00 5.33 H new ATOM 0 HE1 MET A 213 7.415 -13.317 6.603 1.00 5.57 H new ATOM 0 HE2 MET A 213 6.766 -11.797 5.942 1.00 5.57 H new ATOM 0 HE3 MET A 213 8.294 -11.790 6.854 1.00 5.57 H new ATOM 946 N GLU A 214 4.954 -7.557 11.914 1.00 5.29 N ATOM 947 CA GLU A 214 3.827 -6.941 12.598 1.00 5.44 C ATOM 948 C GLU A 214 3.872 -5.424 12.453 1.00 5.41 C ATOM 949 O GLU A 214 2.843 -4.774 12.283 1.00 5.42 O ATOM 950 CB GLU A 214 3.835 -7.326 14.076 1.00 6.00 C ATOM 951 CG GLU A 214 3.191 -8.673 14.357 1.00 6.18 C ATOM 952 CD GLU A 214 1.700 -8.659 14.101 1.00 6.23 C ATOM 953 OE1 GLU A 214 0.972 -7.974 14.852 1.00 6.40 O1- ATOM 954 OE2 GLU A 214 1.246 -9.323 13.144 1.00 6.43 O ATOM 0 H GLU A 214 5.619 -8.021 12.533 1.00 5.29 H new ATOM 0 HA GLU A 214 2.907 -7.304 12.140 1.00 5.44 H new ATOM 0 HB2 GLU A 214 4.865 -7.344 14.433 1.00 6.00 H new ATOM 0 HB3 GLU A 214 3.313 -6.557 14.646 1.00 6.00 H new ATOM 0 HG2 GLU A 214 3.658 -9.434 13.732 1.00 6.18 H new ATOM 0 HG3 GLU A 214 3.377 -8.953 15.394 1.00 6.18 H new ATOM 961 N ALA A 215 5.076 -4.872 12.501 1.00 5.51 N ATOM 962 CA ALA A 215 5.266 -3.435 12.379 1.00 5.66 C ATOM 963 C ALA A 215 5.171 -2.989 10.922 1.00 5.27 C ATOM 964 O ALA A 215 4.743 -1.872 10.632 1.00 5.33 O ATOM 965 CB ALA A 215 6.606 -3.034 12.976 1.00 6.08 C ATOM 0 H ALA A 215 5.939 -5.401 12.624 1.00 5.51 H new ATOM 0 HA ALA A 215 4.470 -2.935 12.932 1.00 5.66 H new ATOM 0 HB1 ALA A 215 6.739 -1.956 12.880 1.00 6.08 H new ATOM 0 HB2 ALA A 215 6.632 -3.310 14.030 1.00 6.08 H new ATOM 0 HB3 ALA A 215 7.409 -3.547 12.446 1.00 6.08 H new ATOM 971 N ALA A 216 5.543 -3.881 10.009 1.00 4.95 N ATOM 972 CA ALA A 216 5.520 -3.582 8.585 1.00 4.66 C ATOM 973 C ALA A 216 4.094 -3.531 8.060 1.00 4.31 C ATOM 974 O ALA A 216 3.768 -2.716 7.197 1.00 4.17 O ATOM 975 CB ALA A 216 6.334 -4.613 7.817 1.00 4.61 C ATOM 0 H ALA A 216 5.866 -4.822 10.234 1.00 4.95 H new ATOM 0 HA ALA A 216 5.968 -2.599 8.436 1.00 4.66 H new ATOM 0 HB1 ALA A 216 6.308 -4.378 6.753 1.00 4.61 H new ATOM 0 HB2 ALA A 216 7.366 -4.596 8.168 1.00 4.61 H new ATOM 0 HB3 ALA A 216 5.911 -5.605 7.979 1.00 4.61 H new ATOM 981 N LYS A 217 3.239 -4.389 8.602 1.00 4.31 N ATOM 982 CA LYS A 217 1.848 -4.435 8.178 1.00 4.20 C ATOM 983 C LYS A 217 1.110 -3.167 8.608 1.00 4.42 C ATOM 984 O LYS A 217 0.073 -2.813 8.043 1.00 4.34 O ATOM 985 CB LYS A 217 1.149 -5.695 8.706 1.00 4.47 C ATOM 986 CG LYS A 217 0.677 -5.606 10.148 1.00 4.63 C ATOM 987 CD LYS A 217 0.097 -6.931 10.619 1.00 5.07 C ATOM 988 CE LYS A 217 -0.655 -6.783 11.930 1.00 5.46 C ATOM 989 NZ LYS A 217 -1.051 -8.098 12.491 1.00 5.88 N1+ ATOM 0 H LYS A 217 3.483 -5.058 9.332 1.00 4.31 H new ATOM 0 HA LYS A 217 1.827 -4.482 7.089 1.00 4.20 H new ATOM 0 HB2 LYS A 217 0.290 -5.910 8.070 1.00 4.47 H new ATOM 0 HB3 LYS A 217 1.833 -6.538 8.614 1.00 4.47 H new ATOM 0 HG2 LYS A 217 1.511 -5.322 10.790 1.00 4.63 H new ATOM 0 HG3 LYS A 217 -0.076 -4.823 10.239 1.00 4.63 H new ATOM 0 HD2 LYS A 217 -0.575 -7.325 9.857 1.00 5.07 H new ATOM 0 HD3 LYS A 217 0.901 -7.657 10.741 1.00 5.07 H new ATOM 0 HE2 LYS A 217 -0.030 -6.255 12.650 1.00 5.46 H new ATOM 0 HE3 LYS A 217 -1.544 -6.173 11.772 1.00 5.46 H new ATOM 0 HZ1 LYS A 217 -1.312 -7.984 13.491 1.00 5.88 H new ATOM 0 HZ2 LYS A 217 -1.865 -8.471 11.961 1.00 5.88 H new ATOM 0 HZ3 LYS A 217 -0.254 -8.762 12.414 1.00 5.88 H new ATOM 1003 N GLU A 218 1.648 -2.497 9.618 1.00 0.00 N ATOM 1004 CA GLU A 218 1.077 -1.239 10.092 1.00 0.00 C ATOM 1005 C GLU A 218 1.362 -0.117 9.124 1.00 0.00 C ATOM 1006 O GLU A 218 0.506 0.701 8.818 1.00 0.00 O ATOM 1007 CB GLU A 218 1.648 -0.901 11.500 1.00 0.00 C ATOM 1008 CG GLU A 218 1.208 -1.855 12.657 1.00 0.00 C ATOM 1009 CD GLU A 218 1.770 -1.612 14.045 1.00 0.00 C ATOM 1010 OE1 GLU A 218 2.593 -0.700 14.252 1.00 0.00 O ATOM 1011 OE2 GLU A 218 1.352 -2.359 14.954 1.00 0.00 O1- ATOM 0 H GLU A 218 2.478 -2.801 10.126 1.00 0.00 H new ATOM 0 HA GLU A 218 -0.005 -1.353 10.162 1.00 0.00 H new ATOM 0 HB2 GLU A 218 2.736 -0.909 11.442 1.00 0.00 H new ATOM 0 HB3 GLU A 218 1.350 0.115 11.758 1.00 0.00 H new ATOM 0 HG2 GLU A 218 0.121 -1.813 12.727 1.00 0.00 H new ATOM 0 HG3 GLU A 218 1.470 -2.872 12.366 1.00 0.00 H new ATOM 1018 N VAL A 219 2.604 -0.113 8.643 1.00 4.99 N ATOM 1019 CA VAL A 219 3.087 0.899 7.712 1.00 5.07 C ATOM 1020 C VAL A 219 2.184 1.036 6.488 1.00 4.71 C ATOM 1021 O VAL A 219 1.776 2.141 6.133 1.00 4.89 O ATOM 1022 CB VAL A 219 4.523 0.564 7.247 1.00 5.20 C ATOM 1023 CG1 VAL A 219 4.961 1.468 6.108 1.00 5.47 C ATOM 1024 CG2 VAL A 219 5.498 0.659 8.411 1.00 5.63 C ATOM 0 H VAL A 219 3.303 -0.814 8.890 1.00 4.99 H new ATOM 0 HA VAL A 219 3.080 1.848 8.248 1.00 5.07 H new ATOM 0 HB VAL A 219 4.522 -0.461 6.877 1.00 5.20 H new ATOM 0 HG11 VAL A 219 5.975 1.206 5.805 1.00 5.47 H new ATOM 0 HG12 VAL A 219 4.285 1.341 5.262 1.00 5.47 H new ATOM 0 HG13 VAL A 219 4.938 2.507 6.438 1.00 5.47 H new ATOM 0 HG21 VAL A 219 6.503 0.420 8.064 1.00 5.63 H new ATOM 0 HG22 VAL A 219 5.485 1.671 8.815 1.00 5.63 H new ATOM 0 HG23 VAL A 219 5.205 -0.046 9.189 1.00 5.63 H new ATOM 1034 N TYR A 220 1.866 -0.092 5.866 1.00 4.28 N ATOM 1035 CA TYR A 220 1.031 -0.110 4.663 1.00 4.00 C ATOM 1036 C TYR A 220 -0.316 0.584 4.880 1.00 4.14 C ATOM 1037 O TYR A 220 -0.822 1.269 3.989 1.00 4.18 O ATOM 1038 CB TYR A 220 0.805 -1.554 4.211 1.00 3.69 C ATOM 1039 CG TYR A 220 0.133 -1.674 2.861 1.00 3.55 C ATOM 1040 CD1 TYR A 220 0.777 -1.251 1.705 1.00 3.97 C ATOM 1041 CD2 TYR A 220 -1.143 -2.207 2.744 1.00 3.52 C ATOM 1042 CE1 TYR A 220 0.170 -1.363 0.469 1.00 4.12 C ATOM 1043 CE2 TYR A 220 -1.758 -2.322 1.513 1.00 3.66 C ATOM 1044 CZ TYR A 220 -1.100 -1.896 0.378 1.00 3.85 C ATOM 1045 OH TYR A 220 -1.713 -2.012 -0.852 1.00 4.23 O ATOM 0 H TYR A 220 2.174 -1.014 6.174 1.00 4.28 H new ATOM 0 HA TYR A 220 1.561 0.444 3.889 1.00 4.00 H new ATOM 0 HB2 TYR A 220 1.766 -2.068 4.175 1.00 3.69 H new ATOM 0 HB3 TYR A 220 0.197 -2.067 4.956 1.00 3.69 H new ATOM 0 HD1 TYR A 220 1.768 -0.828 1.774 1.00 3.97 H new ATOM 0 HD2 TYR A 220 -1.664 -2.537 3.631 1.00 3.52 H new ATOM 0 HE1 TYR A 220 0.686 -1.035 -0.421 1.00 4.12 H new ATOM 0 HE2 TYR A 220 -2.750 -2.744 1.439 1.00 3.66 H new ATOM 0 HH TYR A 220 -1.897 -1.119 -1.211 1.00 4.23 H new ATOM 1055 N LYS A 221 -0.886 0.417 6.065 1.00 4.37 N ATOM 1056 CA LYS A 221 -2.179 1.013 6.379 1.00 4.73 C ATOM 1057 C LYS A 221 -2.078 2.531 6.499 1.00 5.09 C ATOM 1058 O LYS A 221 -2.940 3.261 6.007 1.00 5.27 O ATOM 1059 CB LYS A 221 -2.737 0.411 7.668 1.00 5.11 C ATOM 1060 CG LYS A 221 -2.922 -1.095 7.586 1.00 5.12 C ATOM 1061 CD LYS A 221 -3.544 -1.657 8.852 1.00 5.57 C ATOM 1062 CE LYS A 221 -3.855 -3.138 8.705 1.00 5.79 C ATOM 1063 NZ LYS A 221 -2.627 -3.957 8.539 1.00 6.17 N1+ ATOM 0 H LYS A 221 -0.475 -0.125 6.825 1.00 4.37 H new ATOM 0 HA LYS A 221 -2.861 0.790 5.559 1.00 4.73 H new ATOM 0 HB2 LYS A 221 -2.064 0.645 8.493 1.00 5.11 H new ATOM 0 HB3 LYS A 221 -3.695 0.878 7.896 1.00 5.11 H new ATOM 0 HG2 LYS A 221 -3.554 -1.337 6.732 1.00 5.12 H new ATOM 0 HG3 LYS A 221 -1.957 -1.571 7.413 1.00 5.12 H new ATOM 0 HD2 LYS A 221 -2.864 -1.508 9.691 1.00 5.57 H new ATOM 0 HD3 LYS A 221 -4.459 -1.112 9.083 1.00 5.57 H new ATOM 0 HE2 LYS A 221 -4.402 -3.481 9.583 1.00 5.79 H new ATOM 0 HE3 LYS A 221 -4.507 -3.287 7.845 1.00 5.79 H new ATOM 0 HZ1 LYS A 221 -2.657 -4.446 7.622 1.00 6.17 H new ATOM 0 HZ2 LYS A 221 -1.791 -3.340 8.575 1.00 6.17 H new ATOM 0 HZ3 LYS A 221 -2.572 -4.659 9.304 1.00 6.17 H new ATOM 1077 N ILE A 222 -1.017 3.001 7.139 1.00 5.30 N ATOM 1078 CA ILE A 222 -0.807 4.432 7.322 1.00 5.78 C ATOM 1079 C ILE A 222 -0.356 5.072 6.008 1.00 5.68 C ATOM 1080 O ILE A 222 -0.658 6.231 5.723 1.00 6.01 O ATOM 1081 CB ILE A 222 0.235 4.705 8.431 1.00 6.15 C ATOM 1082 CG1 ILE A 222 -0.062 3.836 9.659 1.00 6.30 C ATOM 1083 CG2 ILE A 222 0.235 6.181 8.813 1.00 6.74 C ATOM 1084 CD1 ILE A 222 1.144 3.586 10.541 1.00 6.53 C ATOM 0 H ILE A 222 -0.287 2.413 7.541 1.00 5.30 H new ATOM 0 HA ILE A 222 -1.754 4.876 7.629 1.00 5.78 H new ATOM 0 HB ILE A 222 1.224 4.449 8.050 1.00 6.15 H new ATOM 0 HG12 ILE A 222 -0.840 4.316 10.252 1.00 6.30 H new ATOM 0 HG13 ILE A 222 -0.461 2.878 9.326 1.00 6.30 H new ATOM 0 HG21 ILE A 222 0.974 6.354 9.595 1.00 6.74 H new ATOM 0 HG22 ILE A 222 0.483 6.783 7.939 1.00 6.74 H new ATOM 0 HG23 ILE A 222 -0.753 6.462 9.179 1.00 6.74 H new ATOM 0 HD11 ILE A 222 0.853 2.964 11.388 1.00 6.53 H new ATOM 0 HD12 ILE A 222 1.917 3.076 9.965 1.00 6.53 H new ATOM 0 HD13 ILE A 222 1.531 4.537 10.906 1.00 6.53 H new ATOM 1096 N HIS A 223 0.347 4.287 5.199 1.00 5.31 N ATOM 1097 CA HIS A 223 0.845 4.735 3.900 1.00 5.36 C ATOM 1098 C HIS A 223 -0.320 5.072 2.969 1.00 5.26 C ATOM 1099 O HIS A 223 -0.277 6.053 2.225 1.00 5.59 O ATOM 1100 CB HIS A 223 1.713 3.631 3.284 1.00 5.11 C ATOM 1101 CG HIS A 223 2.643 4.084 2.195 1.00 5.45 C ATOM 1102 ND1 HIS A 223 3.297 3.174 1.399 1.00 5.42 N ATOM 1103 CD2 HIS A 223 3.009 5.338 1.824 1.00 5.95 C ATOM 1104 CE1 HIS A 223 4.041 3.883 0.570 1.00 5.92 C ATOM 1105 NE2 HIS A 223 3.901 5.198 0.788 1.00 6.23 N ATOM 0 H HIS A 223 0.589 3.322 5.424 1.00 5.31 H new ATOM 0 HA HIS A 223 1.444 5.635 4.036 1.00 5.36 H new ATOM 0 HB2 HIS A 223 2.303 3.170 4.076 1.00 5.11 H new ATOM 0 HB3 HIS A 223 1.058 2.857 2.883 1.00 5.11 H new ATOM 0 HD2 HIS A 223 2.666 6.265 2.259 1.00 5.95 H new ATOM 0 HE1 HIS A 223 4.682 3.457 -0.188 1.00 5.92 H new ATOM 0 HE2 HIS A 223 4.367 5.951 0.282 1.00 6.23 H new ATOM 1113 N GLN A 224 -1.367 4.257 3.041 1.00 4.91 N ATOM 1114 CA GLN A 224 -2.553 4.442 2.213 1.00 4.90 C ATOM 1115 C GLN A 224 -3.322 5.707 2.609 1.00 5.38 C ATOM 1116 O GLN A 224 -4.028 6.300 1.789 1.00 5.57 O ATOM 1117 CB GLN A 224 -3.456 3.212 2.328 1.00 4.63 C ATOM 1118 CG GLN A 224 -4.647 3.229 1.383 1.00 4.79 C ATOM 1119 CD GLN A 224 -5.969 3.278 2.121 1.00 4.97 C ATOM 1120 OE1 GLN A 224 -6.562 2.245 2.427 1.00 5.09 O ATOM 1121 NE2 GLN A 224 -6.441 4.480 2.414 1.00 5.38 N ATOM 0 H GLN A 224 -1.418 3.456 3.670 1.00 4.91 H new ATOM 0 HA GLN A 224 -2.233 4.563 1.178 1.00 4.90 H new ATOM 0 HB2 GLN A 224 -2.863 2.319 2.132 1.00 4.63 H new ATOM 0 HB3 GLN A 224 -3.819 3.135 3.353 1.00 4.63 H new ATOM 0 HG2 GLN A 224 -4.571 4.092 0.722 1.00 4.79 H new ATOM 0 HG3 GLN A 224 -4.619 2.341 0.752 1.00 4.79 H new ATOM 0 HE21 GLN A 224 -5.919 5.313 2.143 1.00 5.38 H new ATOM 0 HE22 GLN A 224 -7.327 4.573 2.911 1.00 5.38 H new ATOM 1130 N GLN A 225 -3.175 6.119 3.865 1.00 5.66 N ATOM 1131 CA GLN A 225 -3.859 7.305 4.374 1.00 6.22 C ATOM 1132 C GLN A 225 -3.371 8.565 3.666 1.00 6.53 C ATOM 1133 O GLN A 225 -4.168 9.427 3.289 1.00 6.88 O ATOM 1134 CB GLN A 225 -3.639 7.436 5.880 1.00 6.56 C ATOM 1135 CG GLN A 225 -4.415 6.417 6.696 1.00 6.94 C ATOM 1136 CD GLN A 225 -3.900 6.285 8.116 1.00 7.36 C ATOM 1137 OE1 GLN A 225 -3.306 7.216 8.666 1.00 7.76 O ATOM 1138 NE2 GLN A 225 -4.129 5.132 8.720 1.00 7.56 N ATOM 0 H GLN A 225 -2.586 5.647 4.552 1.00 5.66 H new ATOM 0 HA GLN A 225 -4.925 7.191 4.176 1.00 6.22 H new ATOM 0 HB2 GLN A 225 -2.576 7.328 6.095 1.00 6.56 H new ATOM 0 HB3 GLN A 225 -3.928 8.439 6.196 1.00 6.56 H new ATOM 0 HG2 GLN A 225 -5.466 6.703 6.721 1.00 6.94 H new ATOM 0 HG3 GLN A 225 -4.361 5.446 6.203 1.00 6.94 H new ATOM 0 HE21 GLN A 225 -4.624 4.388 8.228 1.00 7.56 H new ATOM 0 HE22 GLN A 225 -3.811 4.986 9.678 1.00 7.56 H new ATOM 1147 N LEU A 226 -2.062 8.655 3.466 1.00 6.49 N ATOM 1148 CA LEU A 226 -1.460 9.809 2.808 1.00 6.92 C ATOM 1149 C LEU A 226 -1.918 9.908 1.355 1.00 6.85 C ATOM 1150 O LEU A 226 -2.245 10.992 0.869 1.00 7.28 O ATOM 1151 CB LEU A 226 0.070 9.716 2.873 1.00 7.02 C ATOM 1152 CG LEU A 226 0.825 10.889 2.243 1.00 7.62 C ATOM 1153 CD1 LEU A 226 0.587 12.168 3.027 1.00 7.93 C ATOM 1154 CD2 LEU A 226 2.312 10.580 2.162 1.00 8.09 C ATOM 0 H LEU A 226 -1.394 7.939 3.751 1.00 6.49 H new ATOM 0 HA LEU A 226 -1.785 10.708 3.331 1.00 6.92 H new ATOM 0 HB2 LEU A 226 0.368 9.633 3.918 1.00 7.02 H new ATOM 0 HB3 LEU A 226 0.383 8.797 2.378 1.00 7.02 H new ATOM 0 HG LEU A 226 0.446 11.036 1.232 1.00 7.62 H new ATOM 0 HD11 LEU A 226 1.134 12.988 2.561 1.00 7.93 H new ATOM 0 HD12 LEU A 226 -0.478 12.399 3.032 1.00 7.93 H new ATOM 0 HD13 LEU A 226 0.935 12.037 4.052 1.00 7.93 H new ATOM 0 HD21 LEU A 226 2.835 11.424 1.712 1.00 8.09 H new ATOM 0 HD22 LEU A 226 2.702 10.404 3.164 1.00 8.09 H new ATOM 0 HD23 LEU A 226 2.466 9.690 1.552 1.00 8.09 H new ATOM 1166 N LEU A 227 -1.955 8.766 0.678 1.00 6.38 N ATOM 1167 CA LEU A 227 -2.370 8.713 -0.720 1.00 6.38 C ATOM 1168 C LEU A 227 -3.805 9.203 -0.881 1.00 6.51 C ATOM 1169 O LEU A 227 -4.126 9.918 -1.835 1.00 6.81 O ATOM 1170 CB LEU A 227 -2.241 7.288 -1.266 1.00 5.94 C ATOM 1171 CG LEU A 227 -0.856 6.651 -1.118 1.00 5.92 C ATOM 1172 CD1 LEU A 227 -0.844 5.268 -1.738 1.00 5.56 C ATOM 1173 CD2 LEU A 227 0.213 7.529 -1.753 1.00 6.51 C ATOM 0 H LEU A 227 -1.702 7.861 1.076 1.00 6.38 H new ATOM 0 HA LEU A 227 -1.713 9.371 -1.289 1.00 6.38 H new ATOM 0 HB2 LEU A 227 -2.969 6.655 -0.759 1.00 5.94 H new ATOM 0 HB3 LEU A 227 -2.507 7.296 -2.323 1.00 5.94 H new ATOM 0 HG LEU A 227 -0.633 6.559 -0.055 1.00 5.92 H new ATOM 0 HD11 LEU A 227 0.147 4.827 -1.625 1.00 5.56 H new ATOM 0 HD12 LEU A 227 -1.580 4.639 -1.238 1.00 5.56 H new ATOM 0 HD13 LEU A 227 -1.090 5.342 -2.797 1.00 5.56 H new ATOM 0 HD21 LEU A 227 1.188 7.057 -1.636 1.00 6.51 H new ATOM 0 HD22 LEU A 227 -0.004 7.656 -2.814 1.00 6.51 H new ATOM 0 HD23 LEU A 227 0.221 8.504 -1.265 1.00 6.51 H new ATOM 1185 N PHE A 228 -4.658 8.824 0.064 1.00 6.38 N ATOM 1186 CA PHE A 228 -6.059 9.219 0.038 1.00 6.62 C ATOM 1187 C PHE A 228 -6.191 10.732 0.198 1.00 7.17 C ATOM 1188 O PHE A 228 -6.922 11.386 -0.547 1.00 7.44 O ATOM 1189 CB PHE A 228 -6.829 8.494 1.153 1.00 6.57 C ATOM 1190 CG PHE A 228 -8.288 8.825 1.197 1.00 6.89 C ATOM 1191 CD1 PHE A 228 -9.168 8.266 0.288 1.00 7.04 C ATOM 1192 CD2 PHE A 228 -8.780 9.689 2.158 1.00 7.26 C ATOM 1193 CE1 PHE A 228 -10.513 8.565 0.334 1.00 7.43 C ATOM 1194 CE2 PHE A 228 -10.121 9.994 2.210 1.00 7.64 C ATOM 1195 CZ PHE A 228 -10.992 9.431 1.298 1.00 7.67 C ATOM 0 H PHE A 228 -4.401 8.241 0.861 1.00 6.38 H new ATOM 0 HA PHE A 228 -6.485 8.938 -0.925 1.00 6.62 H new ATOM 0 HB2 PHE A 228 -6.714 7.418 1.020 1.00 6.57 H new ATOM 0 HB3 PHE A 228 -6.380 8.746 2.114 1.00 6.57 H new ATOM 0 HD1 PHE A 228 -8.797 7.588 -0.466 1.00 7.04 H new ATOM 0 HD2 PHE A 228 -8.104 10.130 2.876 1.00 7.26 H new ATOM 0 HE1 PHE A 228 -11.191 8.123 -0.382 1.00 7.43 H new ATOM 0 HE2 PHE A 228 -10.492 10.673 2.963 1.00 7.64 H new ATOM 0 HZ PHE A 228 -12.045 9.667 1.338 1.00 7.67 H new ATOM 1205 N LYS A 229 -5.455 11.280 1.157 1.00 7.38 N ATOM 1206 CA LYS A 229 -5.482 12.714 1.437 1.00 7.96 C ATOM 1207 C LYS A 229 -5.025 13.529 0.231 1.00 8.17 C ATOM 1208 O LYS A 229 -5.515 14.634 -0.005 1.00 8.60 O ATOM 1209 CB LYS A 229 -4.599 13.032 2.645 1.00 8.19 C ATOM 1210 CG LYS A 229 -5.156 12.508 3.960 1.00 8.20 C ATOM 1211 CD LYS A 229 -4.154 12.665 5.091 1.00 8.62 C ATOM 1212 CE LYS A 229 -4.747 12.233 6.421 1.00 8.81 C ATOM 1213 NZ LYS A 229 -5.842 13.139 6.857 1.00 9.36 N1+ ATOM 0 H LYS A 229 -4.826 10.749 1.760 1.00 7.38 H new ATOM 0 HA LYS A 229 -6.513 12.989 1.659 1.00 7.96 H new ATOM 0 HB2 LYS A 229 -3.609 12.605 2.483 1.00 8.19 H new ATOM 0 HB3 LYS A 229 -4.473 14.112 2.718 1.00 8.19 H new ATOM 0 HG2 LYS A 229 -6.072 13.044 4.207 1.00 8.20 H new ATOM 0 HG3 LYS A 229 -5.421 11.456 3.851 1.00 8.20 H new ATOM 0 HD2 LYS A 229 -3.266 12.071 4.877 1.00 8.62 H new ATOM 0 HD3 LYS A 229 -3.834 13.705 5.154 1.00 8.62 H new ATOM 0 HE2 LYS A 229 -5.129 11.216 6.335 1.00 8.81 H new ATOM 0 HE3 LYS A 229 -3.965 12.217 7.180 1.00 8.81 H new ATOM 0 HZ1 LYS A 229 -6.048 12.975 7.863 1.00 9.36 H new ATOM 0 HZ2 LYS A 229 -5.550 14.128 6.720 1.00 9.36 H new ATOM 0 HZ3 LYS A 229 -6.695 12.949 6.293 1.00 9.36 H new ATOM 1227 N ALA A 230 -4.088 12.974 -0.528 1.00 7.94 N ATOM 1228 CA ALA A 230 -3.560 13.643 -1.709 1.00 8.24 C ATOM 1229 C ALA A 230 -4.641 13.857 -2.767 1.00 8.26 C ATOM 1230 O ALA A 230 -4.739 14.928 -3.358 1.00 8.69 O ATOM 1231 CB ALA A 230 -2.410 12.842 -2.293 1.00 8.09 C ATOM 0 H ALA A 230 -3.677 12.058 -0.345 1.00 7.94 H new ATOM 0 HA ALA A 230 -3.198 14.624 -1.401 1.00 8.24 H new ATOM 0 HB1 ALA A 230 -2.023 13.351 -3.175 1.00 8.09 H new ATOM 0 HB2 ALA A 230 -1.617 12.749 -1.551 1.00 8.09 H new ATOM 0 HB3 ALA A 230 -2.763 11.849 -2.573 1.00 8.09 H new ATOM 1603 N ASN B 116 3.164 -14.382 8.916 1.00 11.51 N ATOM 1604 CA ASN B 116 2.472 -13.202 8.373 1.00 10.99 C ATOM 1605 C ASN B 116 3.089 -12.790 7.029 1.00 10.00 C ATOM 1606 O ASN B 116 3.179 -11.608 6.705 1.00 9.54 O ATOM 1607 CB ASN B 116 2.536 -12.025 9.354 1.00 11.43 C ATOM 1608 CG ASN B 116 1.522 -10.940 9.020 1.00 11.80 C ATOM 1609 OD1 ASN B 116 0.370 -11.227 8.709 1.00 12.04 O ATOM 1610 ND2 ASN B 116 1.947 -9.683 9.074 1.00 12.05 N ATOM 0 HA ASN B 116 1.426 -13.470 8.221 1.00 10.99 H new ATOM 0 HB2 ASN B 116 2.357 -12.388 10.366 1.00 11.43 H new ATOM 0 HB3 ASN B 116 3.539 -11.598 9.342 1.00 11.43 H new ATOM 0 HD21 ASN B 116 1.309 -8.919 8.853 1.00 12.05 H new ATOM 0 HD22 ASN B 116 2.912 -9.482 9.337 1.00 12.05 H new ATOM 1617 N SER B 117 3.495 -13.780 6.249 1.00 9.85 N ATOM 1618 CA SER B 117 4.110 -13.551 4.956 1.00 9.09 C ATOM 1619 C SER B 117 3.072 -13.638 3.844 1.00 8.48 C ATOM 1620 O SER B 117 3.333 -13.252 2.705 1.00 7.94 O ATOM 1621 CB SER B 117 5.205 -14.592 4.711 1.00 9.58 C ATOM 1622 OG SER B 117 5.708 -15.107 5.933 1.00 10.42 O ATOM 0 H SER B 117 3.406 -14.765 6.497 1.00 9.85 H new ATOM 0 HA SER B 117 4.545 -12.552 4.954 1.00 9.09 H new ATOM 0 HB2 SER B 117 4.806 -15.407 4.107 1.00 9.58 H new ATOM 0 HB3 SER B 117 6.018 -14.141 4.142 1.00 9.58 H new ATOM 0 HG SER B 117 6.404 -15.771 5.746 1.00 10.42 H new ATOM 1628 N LYS B 118 1.887 -14.138 4.191 1.00 8.71 N ATOM 1629 CA LYS B 118 0.800 -14.308 3.229 1.00 8.32 C ATOM 1630 C LYS B 118 0.463 -12.997 2.517 1.00 7.50 C ATOM 1631 O LYS B 118 0.280 -12.968 1.300 1.00 7.07 O ATOM 1632 CB LYS B 118 -0.433 -14.868 3.946 1.00 9.09 C ATOM 1633 CG LYS B 118 -0.165 -16.194 4.647 1.00 9.49 C ATOM 1634 CD LYS B 118 -1.329 -16.614 5.527 1.00 10.17 C ATOM 1635 CE LYS B 118 -1.066 -17.954 6.196 1.00 10.68 C ATOM 1636 NZ LYS B 118 0.162 -17.929 7.032 1.00 11.16 N1+ ATOM 0 H LYS B 118 1.655 -14.434 5.139 1.00 8.71 H new ATOM 0 HA LYS B 118 1.126 -15.012 2.464 1.00 8.32 H new ATOM 0 HB2 LYS B 118 -0.782 -14.140 4.679 1.00 9.09 H new ATOM 0 HB3 LYS B 118 -1.237 -15.002 3.222 1.00 9.09 H new ATOM 0 HG2 LYS B 118 0.024 -16.967 3.902 1.00 9.49 H new ATOM 0 HG3 LYS B 118 0.736 -16.108 5.254 1.00 9.49 H new ATOM 0 HD2 LYS B 118 -1.504 -15.854 6.288 1.00 10.17 H new ATOM 0 HD3 LYS B 118 -2.236 -16.678 4.926 1.00 10.17 H new ATOM 0 HE2 LYS B 118 -1.921 -18.223 6.816 1.00 10.68 H new ATOM 0 HE3 LYS B 118 -0.969 -18.727 5.433 1.00 10.68 H new ATOM 0 HZ1 LYS B 118 0.205 -18.791 7.612 1.00 11.16 H new ATOM 0 HZ2 LYS B 118 1.000 -17.884 6.417 1.00 11.16 H new ATOM 0 HZ3 LYS B 118 0.143 -17.095 7.653 1.00 11.16 H new ATOM 1650 N GLU B 119 0.399 -11.913 3.273 1.00 7.48 N ATOM 1651 CA GLU B 119 0.089 -10.605 2.709 1.00 6.99 C ATOM 1652 C GLU B 119 1.343 -9.739 2.657 1.00 6.13 C ATOM 1653 O GLU B 119 1.260 -8.512 2.614 1.00 5.77 O ATOM 1654 CB GLU B 119 -0.986 -9.908 3.544 1.00 7.65 C ATOM 1655 CG GLU B 119 -2.282 -10.692 3.653 1.00 8.43 C ATOM 1656 CD GLU B 119 -3.264 -10.045 4.604 1.00 9.01 C ATOM 1657 OE1 GLU B 119 -2.919 -9.874 5.793 1.00 9.34 O ATOM 1658 OE2 GLU B 119 -4.386 -9.703 4.171 1.00 9.37 O1- ATOM 0 H GLU B 119 0.558 -11.911 4.281 1.00 7.48 H new ATOM 0 HA GLU B 119 -0.286 -10.748 1.695 1.00 6.99 H new ATOM 0 HB2 GLU B 119 -0.595 -9.729 4.546 1.00 7.65 H new ATOM 0 HB3 GLU B 119 -1.198 -8.933 3.105 1.00 7.65 H new ATOM 0 HG2 GLU B 119 -2.737 -10.777 2.666 1.00 8.43 H new ATOM 0 HG3 GLU B 119 -2.064 -11.705 3.992 1.00 8.43 H new ATOM 1665 N TRP B 120 2.503 -10.383 2.642 1.00 6.01 N ATOM 1666 CA TRP B 120 3.766 -9.665 2.613 1.00 5.38 C ATOM 1667 C TRP B 120 4.506 -9.911 1.302 1.00 4.90 C ATOM 1668 O TRP B 120 4.670 -9.007 0.487 1.00 4.43 O ATOM 1669 CB TRP B 120 4.637 -10.086 3.797 1.00 5.80 C ATOM 1670 CG TRP B 120 5.891 -9.273 3.927 1.00 5.98 C ATOM 1671 CD1 TRP B 120 7.176 -9.735 3.904 1.00 6.39 C ATOM 1672 CD2 TRP B 120 5.974 -7.853 4.102 1.00 6.18 C ATOM 1673 NE1 TRP B 120 8.051 -8.691 4.063 1.00 6.78 N ATOM 1674 CE2 TRP B 120 7.340 -7.526 4.183 1.00 6.64 C ATOM 1675 CE3 TRP B 120 5.029 -6.825 4.198 1.00 6.35 C ATOM 1676 CZ2 TRP B 120 7.782 -6.218 4.355 1.00 7.17 C ATOM 1677 CZ3 TRP B 120 5.470 -5.528 4.372 1.00 6.93 C ATOM 1678 CH2 TRP B 120 6.836 -5.235 4.448 1.00 7.28 C ATOM 0 H TRP B 120 2.593 -11.399 2.649 1.00 6.01 H new ATOM 0 HA TRP B 120 3.553 -8.599 2.688 1.00 5.38 H new ATOM 0 HB2 TRP B 120 4.057 -9.997 4.716 1.00 5.80 H new ATOM 0 HB3 TRP B 120 4.903 -11.137 3.688 1.00 5.80 H new ATOM 0 HD1 TRP B 120 7.461 -10.769 3.779 1.00 6.39 H new ATOM 0 HE1 TRP B 120 9.068 -8.769 4.088 1.00 6.78 H new ATOM 0 HE3 TRP B 120 3.973 -7.042 4.137 1.00 6.35 H new ATOM 0 HZ2 TRP B 120 8.835 -5.987 4.413 1.00 7.17 H new ATOM 0 HZ3 TRP B 120 4.749 -4.727 4.451 1.00 6.93 H new ATOM 0 HH2 TRP B 120 7.150 -4.211 4.583 1.00 7.28 H new ATOM 1689 N THR B 121 4.918 -11.148 1.088 1.00 5.33 N ATOM 1690 CA THR B 121 5.652 -11.518 -0.111 1.00 5.34 C ATOM 1691 C THR B 121 4.710 -11.791 -1.286 1.00 5.03 C ATOM 1692 O THR B 121 5.053 -12.516 -2.214 1.00 5.08 O ATOM 1693 CB THR B 121 6.544 -12.742 0.158 1.00 6.28 C ATOM 1694 OG1 THR B 121 6.034 -13.469 1.286 1.00 6.81 O ATOM 1695 CG2 THR B 121 7.983 -12.314 0.432 1.00 6.77 C ATOM 0 H THR B 121 4.755 -11.920 1.735 1.00 5.33 H new ATOM 0 HA THR B 121 6.286 -10.674 -0.383 1.00 5.34 H new ATOM 0 HB THR B 121 6.535 -13.379 -0.726 1.00 6.28 H new ATOM 0 HG1 THR B 121 6.602 -14.250 1.456 1.00 6.81 H new ATOM 0 HG21 THR B 121 8.595 -13.196 0.619 1.00 6.77 H new ATOM 0 HG22 THR B 121 8.374 -11.778 -0.433 1.00 6.77 H new ATOM 0 HG23 THR B 121 8.009 -11.662 1.305 1.00 6.77 H new ATOM 1703 N SER B 122 3.506 -11.237 -1.229 1.00 5.01 N ATOM 1704 CA SER B 122 2.536 -11.419 -2.302 1.00 4.99 C ATOM 1705 C SER B 122 2.486 -10.197 -3.229 1.00 4.55 C ATOM 1706 O SER B 122 3.137 -10.174 -4.277 1.00 4.76 O ATOM 1707 CB SER B 122 1.157 -11.688 -1.709 1.00 5.61 C ATOM 1708 OG SER B 122 1.003 -11.009 -0.476 1.00 6.23 O ATOM 0 H SER B 122 3.178 -10.660 -0.455 1.00 5.01 H new ATOM 0 HA SER B 122 2.848 -12.275 -2.901 1.00 4.99 H new ATOM 0 HB2 SER B 122 0.385 -11.364 -2.407 1.00 5.61 H new ATOM 0 HB3 SER B 122 1.022 -12.759 -1.560 1.00 5.61 H new ATOM 0 HG SER B 122 0.866 -11.662 0.242 1.00 6.23 H new ATOM 1714 N LEU B 123 1.734 -9.175 -2.827 1.00 4.24 N ATOM 1715 CA LEU B 123 1.585 -7.958 -3.625 1.00 4.22 C ATOM 1716 C LEU B 123 2.885 -7.161 -3.671 1.00 4.10 C ATOM 1717 O LEU B 123 3.240 -6.601 -4.706 1.00 4.50 O ATOM 1718 CB LEU B 123 0.465 -7.084 -3.055 1.00 4.40 C ATOM 1719 CG LEU B 123 0.008 -5.927 -3.953 1.00 5.14 C ATOM 1720 CD1 LEU B 123 -1.048 -6.394 -4.944 1.00 5.74 C ATOM 1721 CD2 LEU B 123 -0.518 -4.775 -3.110 1.00 5.71 C ATOM 0 H LEU B 123 1.215 -9.165 -1.949 1.00 4.24 H new ATOM 0 HA LEU B 123 1.330 -8.257 -4.642 1.00 4.22 H new ATOM 0 HB2 LEU B 123 -0.396 -7.719 -2.844 1.00 4.40 H new ATOM 0 HB3 LEU B 123 0.798 -6.672 -2.103 1.00 4.40 H new ATOM 0 HG LEU B 123 0.870 -5.574 -4.520 1.00 5.14 H new ATOM 0 HD11 LEU B 123 -1.356 -5.556 -5.569 1.00 5.74 H new ATOM 0 HD12 LEU B 123 -0.634 -7.183 -5.572 1.00 5.74 H new ATOM 0 HD13 LEU B 123 -1.912 -6.778 -4.401 1.00 5.74 H new ATOM 0 HD21 LEU B 123 -0.838 -3.963 -3.763 1.00 5.71 H new ATOM 0 HD22 LEU B 123 -1.365 -5.117 -2.515 1.00 5.71 H new ATOM 0 HD23 LEU B 123 0.271 -4.419 -2.448 1.00 5.71 H new