USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 599 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 171 ASN : amide:sc= 0.966 K(o=2.1,f=-4.1) USER MOD Set 1.2: A 174 LYS NZ :NH3+ 171:sc= 1.14 (180deg=0) USER MOD Set 2.1: A 173 MET CE :methyl 168:sc= -0.798 (180deg=-0.742) USER MOD Set 2.2: A 223 HIS : no HD1:sc= 0.771 K(o=-0.027,f=-8.4!) USER MOD Single : A 172 GLN : amide:sc= -0.626 X(o=-0.63,f=-1.1) USER MOD Single : A 180 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 181 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 184 GLN : amide:sc= 0.861 K(o=0.86,f=0) USER MOD Single : A 188 ASN : amide:sc= -0.0256 K(o=-0.026,f=-1.7) USER MOD Single : A 192 ASN : amide:sc= -0.234 K(o=-0.23,f=-1.4!) USER MOD Single : A 194 ASN : amide:sc= -1.12 K(o=-1.1,f=-2.5!) USER MOD Single : A 195 THR OG1 : rot 180:sc= 0.0911 USER MOD Single : A 197 GLN :FLIP amide:sc= -0.417 F(o=-1.2,f=-0.42) USER MOD Single : A 198 GLN : amide:sc= -3.04! X(o=-3!,f=-2.6) USER MOD Single : A 200 THR OG1 : rot 180:sc= 0.0355 USER MOD Single : A 204 GLN : amide:sc= -0.348 X(o=-0.35,f=-0.58) USER MOD Single : A 205 GLN : amide:sc= -0.835 K(o=-0.83,f=-4.7!) USER MOD Single : A 206 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 209 THR OG1 : rot -75:sc= 1.19 USER MOD Single : A 211 GLN : amide:sc= -0.0889 X(o=-0.089,f=-0.2) USER MOD Single : A 213 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 217 LYS NZ :NH3+ -170:sc= 0.959 (180deg=0.577) USER MOD Single : A 220 TYR OH : rot 180:sc= 0 USER MOD Single : A 221 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 224 GLN :FLIP amide:sc= -0.416 F(o=-1.1,f=-0.42) USER MOD Single : A 225 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 229 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 116 ASN : amide:sc= 0.271 X(o=0.27,f=0) USER MOD Single : B 117 SER OG : rot 180:sc= 0 USER MOD Single : B 118 LYS NZ :NH3+ -141:sc= 1.28 (180deg=0.175) USER MOD Single : B 121 THR OG1 : rot 180:sc= 0 USER MOD Single : B 122 SER OG : rot -81:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 200 N LEU A 169 -5.288 2.607 -6.998 1.00 5.81 N ATOM 201 CA LEU A 169 -4.646 2.546 -5.699 1.00 5.44 C ATOM 202 C LEU A 169 -3.675 1.371 -5.583 1.00 5.18 C ATOM 203 O LEU A 169 -2.542 1.534 -5.127 1.00 5.07 O ATOM 204 CB LEU A 169 -5.702 2.454 -4.595 1.00 5.36 C ATOM 205 CG LEU A 169 -6.632 3.669 -4.460 1.00 5.65 C ATOM 206 CD1 LEU A 169 -7.716 3.397 -3.427 1.00 5.76 C ATOM 207 CD2 LEU A 169 -5.846 4.917 -4.088 1.00 5.82 C ATOM 0 HA LEU A 169 -4.067 3.462 -5.584 1.00 5.44 H new ATOM 0 HB2 LEU A 169 -6.313 1.570 -4.775 1.00 5.36 H new ATOM 0 HB3 LEU A 169 -5.194 2.301 -3.643 1.00 5.36 H new ATOM 0 HG LEU A 169 -7.106 3.842 -5.426 1.00 5.65 H new ATOM 0 HD11 LEU A 169 -8.366 4.268 -3.344 1.00 5.76 H new ATOM 0 HD12 LEU A 169 -8.304 2.533 -3.736 1.00 5.76 H new ATOM 0 HD13 LEU A 169 -7.255 3.195 -2.460 1.00 5.76 H new ATOM 0 HD21 LEU A 169 -6.527 5.763 -3.999 1.00 5.82 H new ATOM 0 HD22 LEU A 169 -5.339 4.757 -3.136 1.00 5.82 H new ATOM 0 HD23 LEU A 169 -5.108 5.126 -4.862 1.00 5.82 H new ATOM 219 N VAL A 170 -4.116 0.191 -6.005 1.00 5.20 N ATOM 220 CA VAL A 170 -3.296 -1.010 -5.887 1.00 5.06 C ATOM 221 C VAL A 170 -2.183 -1.095 -6.932 1.00 5.34 C ATOM 222 O VAL A 170 -1.090 -1.576 -6.639 1.00 5.28 O ATOM 223 CB VAL A 170 -4.150 -2.297 -5.939 1.00 5.24 C ATOM 224 CG1 VAL A 170 -5.055 -2.388 -4.713 1.00 5.25 C ATOM 225 CG2 VAL A 170 -4.959 -2.374 -7.232 1.00 5.42 C ATOM 0 H VAL A 170 -5.031 0.040 -6.429 1.00 5.20 H new ATOM 0 HA VAL A 170 -2.822 -0.930 -4.909 1.00 5.06 H new ATOM 0 HB VAL A 170 -3.475 -3.153 -5.927 1.00 5.24 H new ATOM 0 HG11 VAL A 170 -5.649 -3.300 -4.766 1.00 5.25 H new ATOM 0 HG12 VAL A 170 -4.444 -2.405 -3.810 1.00 5.25 H new ATOM 0 HG13 VAL A 170 -5.719 -1.524 -4.686 1.00 5.25 H new ATOM 0 HG21 VAL A 170 -5.549 -3.291 -7.238 1.00 5.42 H new ATOM 0 HG22 VAL A 170 -5.625 -1.513 -7.296 1.00 5.42 H new ATOM 0 HG23 VAL A 170 -4.281 -2.373 -8.086 1.00 5.42 H new ATOM 235 N ASN A 171 -2.447 -0.632 -8.143 1.00 5.77 N ATOM 236 CA ASN A 171 -1.446 -0.689 -9.211 1.00 6.24 C ATOM 237 C ASN A 171 -0.322 0.314 -8.966 1.00 6.25 C ATOM 238 O ASN A 171 0.821 0.103 -9.375 1.00 6.59 O ATOM 239 CB ASN A 171 -2.099 -0.422 -10.572 1.00 6.76 C ATOM 240 CG ASN A 171 -1.147 -0.614 -11.736 1.00 7.31 C ATOM 241 OD1 ASN A 171 -0.260 -1.469 -11.702 1.00 7.47 O ATOM 242 ND2 ASN A 171 -1.333 0.179 -12.780 1.00 7.80 N ATOM 0 H ASN A 171 -3.337 -0.215 -8.416 1.00 5.77 H new ATOM 0 HA ASN A 171 -1.017 -1.691 -9.213 1.00 6.24 H new ATOM 0 HB2 ASN A 171 -2.953 -1.088 -10.695 1.00 6.76 H new ATOM 0 HB3 ASN A 171 -2.484 0.597 -10.590 1.00 6.76 H new ATOM 0 HD21 ASN A 171 -0.730 0.095 -13.598 1.00 7.80 H new ATOM 0 HD22 ASN A 171 -2.080 0.874 -12.766 1.00 7.80 H new ATOM 249 N GLN A 172 -0.646 1.393 -8.273 1.00 6.00 N ATOM 250 CA GLN A 172 0.330 2.435 -7.979 1.00 6.13 C ATOM 251 C GLN A 172 1.197 2.068 -6.780 1.00 5.80 C ATOM 252 O GLN A 172 2.279 2.626 -6.597 1.00 6.06 O ATOM 253 CB GLN A 172 -0.373 3.771 -7.752 1.00 6.13 C ATOM 254 CG GLN A 172 -0.644 4.521 -9.045 1.00 6.58 C ATOM 255 CD GLN A 172 0.623 4.809 -9.821 1.00 6.95 C ATOM 256 OE1 GLN A 172 1.048 4.018 -10.666 1.00 7.27 O ATOM 257 NE2 GLN A 172 1.240 5.942 -9.536 1.00 7.22 N ATOM 0 H GLN A 172 -1.579 1.573 -7.902 1.00 6.00 H new ATOM 0 HA GLN A 172 0.990 2.530 -8.841 1.00 6.13 H new ATOM 0 HB2 GLN A 172 -1.316 3.597 -7.234 1.00 6.13 H new ATOM 0 HB3 GLN A 172 0.240 4.392 -7.099 1.00 6.13 H new ATOM 0 HG2 GLN A 172 -1.322 3.936 -9.666 1.00 6.58 H new ATOM 0 HG3 GLN A 172 -1.149 5.460 -8.818 1.00 6.58 H new ATOM 0 HE21 GLN A 172 0.855 6.569 -8.830 1.00 7.22 H new ATOM 0 HE22 GLN A 172 2.102 6.190 -10.022 1.00 7.22 H new ATOM 266 N MET A 173 0.726 1.120 -5.973 1.00 5.33 N ATOM 267 CA MET A 173 1.465 0.670 -4.787 1.00 5.03 C ATOM 268 C MET A 173 2.713 -0.121 -5.179 1.00 5.21 C ATOM 269 O MET A 173 3.507 -0.510 -4.327 1.00 5.01 O ATOM 270 CB MET A 173 0.572 -0.191 -3.898 1.00 4.54 C ATOM 271 CG MET A 173 0.327 0.394 -2.518 1.00 4.49 C ATOM 272 SD MET A 173 1.845 0.904 -1.689 1.00 4.57 S ATOM 273 CE MET A 173 1.231 1.221 -0.037 1.00 4.49 C ATOM 0 H MET A 173 -0.165 0.645 -6.116 1.00 5.33 H new ATOM 0 HA MET A 173 1.776 1.557 -4.236 1.00 5.03 H new ATOM 0 HB2 MET A 173 -0.387 -0.336 -4.395 1.00 4.54 H new ATOM 0 HB3 MET A 173 1.027 -1.176 -3.789 1.00 4.54 H new ATOM 0 HG2 MET A 173 -0.338 1.253 -2.606 1.00 4.49 H new ATOM 0 HG3 MET A 173 -0.186 -0.345 -1.902 1.00 4.49 H new ATOM 0 HE1 MET A 173 2.071 1.338 0.647 1.00 4.49 H new ATOM 0 HE2 MET A 173 0.635 2.134 -0.039 1.00 4.49 H new ATOM 0 HE3 MET A 173 0.612 0.385 0.288 1.00 4.49 H new ATOM 283 N LYS A 174 2.871 -0.367 -6.472 1.00 5.68 N ATOM 284 CA LYS A 174 4.027 -1.090 -6.973 1.00 6.02 C ATOM 285 C LYS A 174 5.246 -0.194 -6.878 1.00 6.49 C ATOM 286 O LYS A 174 6.307 -0.602 -6.407 1.00 6.55 O ATOM 287 CB LYS A 174 3.811 -1.536 -8.423 1.00 6.45 C ATOM 288 CG LYS A 174 2.688 -2.545 -8.591 1.00 6.44 C ATOM 289 CD LYS A 174 2.451 -2.873 -10.057 1.00 6.92 C ATOM 290 CE LYS A 174 1.335 -3.895 -10.229 1.00 7.15 C ATOM 291 NZ LYS A 174 0.900 -4.007 -11.649 1.00 7.76 N1+ ATOM 0 H LYS A 174 2.211 -0.075 -7.193 1.00 5.68 H new ATOM 0 HA LYS A 174 4.176 -1.985 -6.369 1.00 6.02 H new ATOM 0 HB2 LYS A 174 3.595 -0.660 -9.035 1.00 6.45 H new ATOM 0 HB3 LYS A 174 4.737 -1.969 -8.802 1.00 6.45 H new ATOM 0 HG2 LYS A 174 2.933 -3.458 -8.047 1.00 6.44 H new ATOM 0 HG3 LYS A 174 1.772 -2.149 -8.153 1.00 6.44 H new ATOM 0 HD2 LYS A 174 2.197 -1.961 -10.598 1.00 6.92 H new ATOM 0 HD3 LYS A 174 3.370 -3.259 -10.497 1.00 6.92 H new ATOM 0 HE2 LYS A 174 1.676 -4.868 -9.876 1.00 7.15 H new ATOM 0 HE3 LYS A 174 0.484 -3.611 -9.610 1.00 7.15 H new ATOM 0 HZ1 LYS A 174 0.252 -4.814 -11.751 1.00 7.76 H new ATOM 0 HZ2 LYS A 174 0.412 -3.133 -11.933 1.00 7.76 H new ATOM 0 HZ3 LYS A 174 1.732 -4.152 -12.256 1.00 7.76 H new ATOM 305 N VAL A 175 5.078 1.044 -7.320 1.00 6.90 N ATOM 306 CA VAL A 175 6.153 2.010 -7.269 1.00 7.46 C ATOM 307 C VAL A 175 5.800 3.099 -6.276 1.00 7.44 C ATOM 308 O VAL A 175 5.344 4.183 -6.646 1.00 7.78 O ATOM 309 CB VAL A 175 6.416 2.657 -8.643 1.00 8.18 C ATOM 310 CG1 VAL A 175 7.853 3.140 -8.736 1.00 8.62 C ATOM 311 CG2 VAL A 175 6.095 1.684 -9.765 1.00 8.33 C ATOM 0 H VAL A 175 4.207 1.398 -7.716 1.00 6.90 H new ATOM 0 HA VAL A 175 7.057 1.482 -6.964 1.00 7.46 H new ATOM 0 HB VAL A 175 5.759 3.521 -8.750 1.00 8.18 H new ATOM 0 HG11 VAL A 175 8.022 3.594 -9.712 1.00 8.62 H new ATOM 0 HG12 VAL A 175 8.040 3.878 -7.956 1.00 8.62 H new ATOM 0 HG13 VAL A 175 8.530 2.295 -8.607 1.00 8.62 H new ATOM 0 HG21 VAL A 175 6.288 2.161 -10.726 1.00 8.33 H new ATOM 0 HG22 VAL A 175 6.721 0.797 -9.668 1.00 8.33 H new ATOM 0 HG23 VAL A 175 5.046 1.395 -9.707 1.00 8.33 H new ATOM 321 N ALA A 176 6.018 2.799 -5.015 1.00 7.10 N ATOM 322 CA ALA A 176 5.736 3.735 -3.948 1.00 7.14 C ATOM 323 C ALA A 176 6.787 3.623 -2.851 1.00 7.24 C ATOM 324 O ALA A 176 6.968 2.558 -2.263 1.00 6.92 O ATOM 325 CB ALA A 176 4.342 3.488 -3.387 1.00 6.59 C ATOM 0 H ALA A 176 6.394 1.904 -4.701 1.00 7.10 H new ATOM 0 HA ALA A 176 5.771 4.747 -4.351 1.00 7.14 H new ATOM 0 HB1 ALA A 176 4.141 4.198 -2.585 1.00 6.59 H new ATOM 0 HB2 ALA A 176 3.603 3.616 -4.178 1.00 6.59 H new ATOM 0 HB3 ALA A 176 4.282 2.472 -2.996 1.00 6.59 H new ATOM 331 N PRO A 177 7.544 4.701 -2.609 1.00 7.75 N ATOM 332 CA PRO A 177 8.561 4.729 -1.571 1.00 7.96 C ATOM 333 C PRO A 177 7.983 5.092 -0.205 1.00 7.58 C ATOM 334 O PRO A 177 7.126 5.974 -0.093 1.00 7.42 O ATOM 335 CB PRO A 177 9.537 5.800 -2.055 1.00 8.76 C ATOM 336 CG PRO A 177 8.812 6.619 -3.078 1.00 8.86 C ATOM 337 CD PRO A 177 7.471 5.977 -3.330 1.00 8.23 C ATOM 0 HA PRO A 177 9.027 3.754 -1.426 1.00 7.96 H new ATOM 0 HB2 PRO A 177 9.868 6.424 -1.225 1.00 8.76 H new ATOM 0 HB3 PRO A 177 10.428 5.344 -2.486 1.00 8.76 H new ATOM 0 HG2 PRO A 177 8.683 7.642 -2.725 1.00 8.86 H new ATOM 0 HG3 PRO A 177 9.388 6.671 -4.002 1.00 8.86 H new ATOM 0 HD2 PRO A 177 6.656 6.598 -2.959 1.00 8.23 H new ATOM 0 HD3 PRO A 177 7.296 5.824 -4.395 1.00 8.23 H new ATOM 345 N ILE A 178 8.458 4.406 0.821 1.00 7.53 N ATOM 346 CA ILE A 178 8.018 4.631 2.190 1.00 7.29 C ATOM 347 C ILE A 178 8.517 5.980 2.711 1.00 7.90 C ATOM 348 O ILE A 178 9.725 6.218 2.772 1.00 8.45 O ATOM 349 CB ILE A 178 8.532 3.508 3.112 1.00 7.03 C ATOM 350 CG1 ILE A 178 8.203 2.144 2.510 1.00 6.56 C ATOM 351 CG2 ILE A 178 7.930 3.636 4.505 1.00 6.79 C ATOM 352 CD1 ILE A 178 9.175 1.059 2.907 1.00 6.69 C ATOM 0 H ILE A 178 9.162 3.674 0.729 1.00 7.53 H new ATOM 0 HA ILE A 178 6.928 4.633 2.192 1.00 7.29 H new ATOM 0 HB ILE A 178 9.614 3.600 3.201 1.00 7.03 H new ATOM 0 HG12 ILE A 178 7.199 1.852 2.819 1.00 6.56 H new ATOM 0 HG13 ILE A 178 8.190 2.229 1.423 1.00 6.56 H new ATOM 0 HG21 ILE A 178 8.306 2.833 5.139 1.00 6.79 H new ATOM 0 HG22 ILE A 178 8.208 4.598 4.934 1.00 6.79 H new ATOM 0 HG23 ILE A 178 6.844 3.568 4.440 1.00 6.79 H new ATOM 0 HD11 ILE A 178 8.879 0.118 2.443 1.00 6.69 H new ATOM 0 HD12 ILE A 178 10.177 1.329 2.574 1.00 6.69 H new ATOM 0 HD13 ILE A 178 9.171 0.946 3.991 1.00 6.69 H new ATOM 364 N PRO A 179 7.589 6.889 3.059 1.00 7.89 N ATOM 365 CA PRO A 179 7.933 8.216 3.582 1.00 8.51 C ATOM 366 C PRO A 179 8.677 8.149 4.909 1.00 8.75 C ATOM 367 O PRO A 179 8.612 7.149 5.626 1.00 8.38 O ATOM 368 CB PRO A 179 6.575 8.895 3.779 1.00 8.36 C ATOM 369 CG PRO A 179 5.630 8.123 2.937 1.00 7.74 C ATOM 370 CD PRO A 179 6.133 6.710 2.949 1.00 7.36 C ATOM 0 HA PRO A 179 8.600 8.748 2.904 1.00 8.51 H new ATOM 0 HB2 PRO A 179 6.274 8.878 4.826 1.00 8.36 H new ATOM 0 HB3 PRO A 179 6.610 9.941 3.475 1.00 8.36 H new ATOM 0 HG2 PRO A 179 4.616 8.181 3.333 1.00 7.74 H new ATOM 0 HG3 PRO A 179 5.598 8.518 1.922 1.00 7.74 H new ATOM 0 HD2 PRO A 179 5.730 6.143 3.788 1.00 7.36 H new ATOM 0 HD3 PRO A 179 5.858 6.174 2.041 1.00 7.36 H new ATOM 378 N LYS A 180 9.348 9.239 5.247 1.00 9.42 N ATOM 379 CA LYS A 180 10.122 9.328 6.483 1.00 9.77 C ATOM 380 C LYS A 180 9.230 9.167 7.707 1.00 9.52 C ATOM 381 O LYS A 180 9.667 8.666 8.745 1.00 9.52 O ATOM 382 CB LYS A 180 10.866 10.662 6.554 1.00 10.55 C ATOM 383 CG LYS A 180 12.094 10.727 5.660 1.00 10.96 C ATOM 384 CD LYS A 180 13.332 10.197 6.368 1.00 11.55 C ATOM 385 CE LYS A 180 14.536 10.207 5.442 1.00 12.03 C ATOM 386 NZ LYS A 180 15.787 9.821 6.143 1.00 12.47 N1+ ATOM 0 H LYS A 180 9.374 10.085 4.678 1.00 9.42 H new ATOM 0 HA LYS A 180 10.847 8.514 6.478 1.00 9.77 H new ATOM 0 HB2 LYS A 180 10.182 11.464 6.276 1.00 10.55 H new ATOM 0 HB3 LYS A 180 11.168 10.844 7.585 1.00 10.55 H new ATOM 0 HG2 LYS A 180 11.916 10.147 4.754 1.00 10.96 H new ATOM 0 HG3 LYS A 180 12.265 11.758 5.350 1.00 10.96 H new ATOM 0 HD2 LYS A 180 13.541 10.806 7.248 1.00 11.55 H new ATOM 0 HD3 LYS A 180 13.148 9.182 6.719 1.00 11.55 H new ATOM 0 HE2 LYS A 180 14.360 9.522 4.613 1.00 12.03 H new ATOM 0 HE3 LYS A 180 14.654 11.202 5.013 1.00 12.03 H new ATOM 0 HZ1 LYS A 180 16.581 9.842 5.472 1.00 12.47 H new ATOM 0 HZ2 LYS A 180 15.971 10.489 6.918 1.00 12.47 H new ATOM 0 HZ3 LYS A 180 15.686 8.861 6.530 1.00 12.47 H new ATOM 400 N GLN A 181 7.981 9.589 7.577 1.00 9.38 N ATOM 401 CA GLN A 181 7.014 9.485 8.663 1.00 9.25 C ATOM 402 C GLN A 181 6.752 8.020 9.007 1.00 8.64 C ATOM 403 O GLN A 181 6.494 7.671 10.160 1.00 8.66 O ATOM 404 CB GLN A 181 5.700 10.160 8.268 1.00 9.25 C ATOM 405 CG GLN A 181 5.832 11.641 7.960 1.00 9.84 C ATOM 406 CD GLN A 181 4.534 12.240 7.458 1.00 9.79 C ATOM 407 OE1 GLN A 181 4.262 12.249 6.256 1.00 9.75 O ATOM 408 NE2 GLN A 181 3.719 12.737 8.376 1.00 9.99 N ATOM 0 H GLN A 181 7.610 10.010 6.725 1.00 9.38 H new ATOM 0 HA GLN A 181 7.427 9.987 9.538 1.00 9.25 H new ATOM 0 HB2 GLN A 181 5.292 9.653 7.394 1.00 9.25 H new ATOM 0 HB3 GLN A 181 4.980 10.031 9.076 1.00 9.25 H new ATOM 0 HG2 GLN A 181 6.151 12.170 8.858 1.00 9.84 H new ATOM 0 HG3 GLN A 181 6.611 11.786 7.211 1.00 9.84 H new ATOM 0 HE21 GLN A 181 3.983 12.709 9.361 1.00 9.99 H new ATOM 0 HE22 GLN A 181 2.827 13.147 8.098 1.00 9.99 H new ATOM 417 N LEU A 182 6.837 7.167 7.998 1.00 8.14 N ATOM 418 CA LEU A 182 6.591 5.745 8.173 1.00 7.55 C ATOM 419 C LEU A 182 7.884 4.986 8.453 1.00 7.61 C ATOM 420 O LEU A 182 7.869 3.969 9.143 1.00 7.33 O ATOM 421 CB LEU A 182 5.899 5.176 6.936 1.00 6.99 C ATOM 422 CG LEU A 182 4.397 5.469 6.826 1.00 6.82 C ATOM 423 CD1 LEU A 182 4.146 6.917 6.436 1.00 6.67 C ATOM 424 CD2 LEU A 182 3.753 4.531 5.824 1.00 6.66 C ATOM 0 H LEU A 182 7.076 7.438 7.044 1.00 8.14 H new ATOM 0 HA LEU A 182 5.938 5.620 9.037 1.00 7.55 H new ATOM 0 HB2 LEU A 182 6.395 5.572 6.050 1.00 6.99 H new ATOM 0 HB3 LEU A 182 6.042 4.096 6.926 1.00 6.99 H new ATOM 0 HG LEU A 182 3.947 5.304 7.805 1.00 6.82 H new ATOM 0 HD11 LEU A 182 3.073 7.094 6.366 1.00 6.67 H new ATOM 0 HD12 LEU A 182 4.574 7.577 7.191 1.00 6.67 H new ATOM 0 HD13 LEU A 182 4.611 7.120 5.471 1.00 6.67 H new ATOM 0 HD21 LEU A 182 2.687 4.749 5.755 1.00 6.66 H new ATOM 0 HD22 LEU A 182 4.216 4.669 4.847 1.00 6.66 H new ATOM 0 HD23 LEU A 182 3.892 3.500 6.149 1.00 6.66 H new ATOM 436 N LEU A 183 8.999 5.495 7.929 1.00 8.04 N ATOM 437 CA LEU A 183 10.310 4.863 8.120 1.00 8.24 C ATOM 438 C LEU A 183 10.667 4.741 9.598 1.00 8.55 C ATOM 439 O LEU A 183 11.417 3.851 9.994 1.00 8.54 O ATOM 440 CB LEU A 183 11.405 5.653 7.397 1.00 8.80 C ATOM 441 CG LEU A 183 11.391 5.549 5.871 1.00 8.62 C ATOM 442 CD1 LEU A 183 12.476 6.433 5.273 1.00 9.31 C ATOM 443 CD2 LEU A 183 11.586 4.104 5.432 1.00 8.25 C ATOM 0 H LEU A 183 9.023 6.346 7.367 1.00 8.04 H new ATOM 0 HA LEU A 183 10.245 3.861 7.696 1.00 8.24 H new ATOM 0 HB2 LEU A 183 11.314 6.703 7.673 1.00 8.80 H new ATOM 0 HB3 LEU A 183 12.375 5.311 7.759 1.00 8.80 H new ATOM 0 HG LEU A 183 10.421 5.891 5.510 1.00 8.62 H new ATOM 0 HD11 LEU A 183 12.455 6.350 4.186 1.00 9.31 H new ATOM 0 HD12 LEU A 183 12.301 7.470 5.561 1.00 9.31 H new ATOM 0 HD13 LEU A 183 13.450 6.114 5.643 1.00 9.31 H new ATOM 0 HD21 LEU A 183 11.573 4.050 4.343 1.00 8.25 H new ATOM 0 HD22 LEU A 183 12.543 3.737 5.802 1.00 8.25 H new ATOM 0 HD23 LEU A 183 10.781 3.489 5.835 1.00 8.25 H new ATOM 455 N GLN A 184 10.126 5.640 10.407 1.00 8.87 N ATOM 456 CA GLN A 184 10.378 5.633 11.843 1.00 9.25 C ATOM 457 C GLN A 184 9.802 4.386 12.509 1.00 8.85 C ATOM 458 O GLN A 184 10.239 3.994 13.592 1.00 9.14 O ATOM 459 CB GLN A 184 9.773 6.878 12.485 1.00 9.76 C ATOM 460 CG GLN A 184 10.609 8.128 12.295 1.00 10.33 C ATOM 461 CD GLN A 184 9.788 9.392 12.418 1.00 10.90 C ATOM 462 OE1 GLN A 184 9.562 9.898 13.519 1.00 11.17 O ATOM 463 NE2 GLN A 184 9.338 9.914 11.289 1.00 11.29 N ATOM 0 H GLN A 184 9.507 6.387 10.093 1.00 8.87 H new ATOM 0 HA GLN A 184 11.458 5.629 11.989 1.00 9.25 H new ATOM 0 HB2 GLN A 184 8.781 7.047 12.065 1.00 9.76 H new ATOM 0 HB3 GLN A 184 9.641 6.698 13.552 1.00 9.76 H new ATOM 0 HG2 GLN A 184 11.409 8.143 13.035 1.00 10.33 H new ATOM 0 HG3 GLN A 184 11.083 8.100 11.314 1.00 10.33 H new ATOM 0 HE21 GLN A 184 9.548 9.463 10.399 1.00 11.29 H new ATOM 0 HE22 GLN A 184 8.781 10.768 11.309 1.00 11.29 H new ATOM 472 N ARG A 185 8.828 3.762 11.855 1.00 8.24 N ATOM 473 CA ARG A 185 8.183 2.571 12.395 1.00 7.89 C ATOM 474 C ARG A 185 9.045 1.334 12.179 1.00 7.66 C ATOM 475 O ARG A 185 8.947 0.363 12.928 1.00 7.54 O ATOM 476 CB ARG A 185 6.809 2.379 11.757 1.00 7.40 C ATOM 477 CG ARG A 185 5.748 3.295 12.345 1.00 7.66 C ATOM 478 CD ARG A 185 4.872 3.922 11.273 1.00 7.53 C ATOM 479 NE ARG A 185 4.939 5.384 11.303 1.00 7.91 N ATOM 480 CZ ARG A 185 4.059 6.162 11.934 1.00 8.28 C ATOM 481 NH1 ARG A 185 3.025 5.633 12.583 1.00 8.35 N1+ ATOM 482 NH2 ARG A 185 4.219 7.479 11.913 1.00 8.81 N ATOM 0 H ARG A 185 8.468 4.062 10.949 1.00 8.24 H new ATOM 0 HA ARG A 185 8.058 2.711 13.469 1.00 7.89 H new ATOM 0 HB2 ARG A 185 6.884 2.560 10.685 1.00 7.40 H new ATOM 0 HB3 ARG A 185 6.497 1.342 11.884 1.00 7.40 H new ATOM 0 HG2 ARG A 185 5.124 2.728 13.036 1.00 7.66 H new ATOM 0 HG3 ARG A 185 6.231 4.083 12.924 1.00 7.66 H new ATOM 0 HD2 ARG A 185 5.185 3.564 10.292 1.00 7.53 H new ATOM 0 HD3 ARG A 185 3.840 3.602 11.414 1.00 7.53 H new ATOM 0 HE ARG A 185 5.708 5.837 10.809 1.00 7.91 H new ATOM 0 HH11 ARG A 185 2.898 4.621 12.602 1.00 8.35 H new ATOM 0 HH12 ARG A 185 2.359 6.239 13.062 1.00 8.35 H new ATOM 0 HH21 ARG A 185 5.010 7.889 11.417 1.00 8.81 H new ATOM 0 HH22 ARG A 185 3.551 8.082 12.393 1.00 8.81 H new ATOM 496 N ILE A 186 9.880 1.375 11.150 1.00 7.69 N ATOM 497 CA ILE A 186 10.775 0.266 10.837 1.00 7.57 C ATOM 498 C ILE A 186 12.202 0.779 10.648 1.00 8.20 C ATOM 499 O ILE A 186 12.628 1.076 9.532 1.00 8.43 O ATOM 500 CB ILE A 186 10.322 -0.501 9.572 1.00 7.11 C ATOM 501 CG1 ILE A 186 9.769 0.469 8.519 1.00 6.84 C ATOM 502 CG2 ILE A 186 9.285 -1.558 9.936 1.00 6.83 C ATOM 503 CD1 ILE A 186 9.571 -0.160 7.156 1.00 6.52 C ATOM 0 H ILE A 186 9.957 2.168 10.514 1.00 7.69 H new ATOM 0 HA ILE A 186 10.743 -0.428 11.677 1.00 7.57 H new ATOM 0 HB ILE A 186 11.188 -1.005 9.143 1.00 7.11 H new ATOM 0 HG12 ILE A 186 8.816 0.865 8.868 1.00 6.84 H new ATOM 0 HG13 ILE A 186 10.450 1.315 8.424 1.00 6.84 H new ATOM 0 HG21 ILE A 186 8.976 -2.089 9.036 1.00 6.83 H new ATOM 0 HG22 ILE A 186 9.719 -2.265 10.644 1.00 6.83 H new ATOM 0 HG23 ILE A 186 8.418 -1.077 10.389 1.00 6.83 H new ATOM 0 HD11 ILE A 186 9.178 0.586 6.465 1.00 6.52 H new ATOM 0 HD12 ILE A 186 10.526 -0.532 6.785 1.00 6.52 H new ATOM 0 HD13 ILE A 186 8.866 -0.988 7.236 1.00 6.52 H new ATOM 515 N PRO A 187 12.957 0.899 11.748 1.00 8.55 N ATOM 516 CA PRO A 187 14.326 1.402 11.715 1.00 9.18 C ATOM 517 C PRO A 187 15.364 0.324 11.412 1.00 9.19 C ATOM 518 O PRO A 187 15.061 -0.870 11.447 1.00 8.73 O ATOM 519 CB PRO A 187 14.508 1.935 13.130 1.00 9.56 C ATOM 520 CG PRO A 187 13.652 1.065 13.990 1.00 9.11 C ATOM 521 CD PRO A 187 12.536 0.544 13.117 1.00 8.45 C ATOM 0 HA PRO A 187 14.472 2.138 10.924 1.00 9.18 H new ATOM 0 HB2 PRO A 187 15.553 1.887 13.437 1.00 9.56 H new ATOM 0 HB3 PRO A 187 14.203 2.979 13.200 1.00 9.56 H new ATOM 0 HG2 PRO A 187 14.233 0.242 14.405 1.00 9.11 H new ATOM 0 HG3 PRO A 187 13.252 1.629 14.832 1.00 9.11 H new ATOM 0 HD2 PRO A 187 12.411 -0.533 13.229 1.00 8.45 H new ATOM 0 HD3 PRO A 187 11.581 1.004 13.373 1.00 8.45 H new ATOM 529 N ASN A 188 16.585 0.774 11.114 1.00 9.77 N ATOM 530 CA ASN A 188 17.709 -0.116 10.811 1.00 9.94 C ATOM 531 C ASN A 188 17.373 -1.060 9.660 1.00 9.83 C ATOM 532 O ASN A 188 17.336 -2.282 9.833 1.00 9.99 O ATOM 533 CB ASN A 188 18.113 -0.913 12.057 1.00 9.66 C ATOM 534 CG ASN A 188 19.533 -1.453 11.984 1.00 9.91 C ATOM 535 OD1 ASN A 188 20.095 -1.634 10.902 1.00 10.35 O ATOM 536 ND2 ASN A 188 20.125 -1.713 13.138 1.00 9.83 N ATOM 0 H ASN A 188 16.823 1.765 11.076 1.00 9.77 H new ATOM 0 HA ASN A 188 18.552 0.502 10.502 1.00 9.94 H new ATOM 0 HB2 ASN A 188 18.018 -0.275 12.936 1.00 9.66 H new ATOM 0 HB3 ASN A 188 17.421 -1.744 12.190 1.00 9.66 H new ATOM 0 HD21 ASN A 188 21.078 -2.076 13.152 1.00 9.83 H new ATOM 0 HD22 ASN A 188 19.628 -1.551 14.014 1.00 9.83 H new ATOM 543 N ILE A 189 17.118 -0.496 8.490 1.00 9.66 N ATOM 544 CA ILE A 189 16.790 -1.300 7.324 1.00 9.64 C ATOM 545 C ILE A 189 18.027 -1.508 6.449 1.00 9.96 C ATOM 546 O ILE A 189 18.609 -0.548 5.947 1.00 9.97 O ATOM 547 CB ILE A 189 15.661 -0.661 6.481 1.00 9.24 C ATOM 548 CG1 ILE A 189 15.846 0.858 6.379 1.00 9.23 C ATOM 549 CG2 ILE A 189 14.303 -0.998 7.085 1.00 9.06 C ATOM 550 CD1 ILE A 189 14.883 1.533 5.426 1.00 9.09 C ATOM 0 H ILE A 189 17.132 0.510 8.323 1.00 9.66 H new ATOM 0 HA ILE A 189 16.436 -2.264 7.690 1.00 9.64 H new ATOM 0 HB ILE A 189 15.708 -1.072 5.472 1.00 9.24 H new ATOM 0 HG12 ILE A 189 15.727 1.296 7.370 1.00 9.23 H new ATOM 0 HG13 ILE A 189 16.866 1.069 6.058 1.00 9.23 H new ATOM 0 HG21 ILE A 189 13.515 -0.544 6.485 1.00 9.06 H new ATOM 0 HG22 ILE A 189 14.170 -2.080 7.100 1.00 9.06 H new ATOM 0 HG23 ILE A 189 14.252 -0.612 8.103 1.00 9.06 H new ATOM 0 HD11 ILE A 189 15.078 2.605 5.410 1.00 9.09 H new ATOM 0 HD12 ILE A 189 15.017 1.125 4.424 1.00 9.09 H new ATOM 0 HD13 ILE A 189 13.860 1.355 5.756 1.00 9.09 H new ATOM 562 N PRO A 190 18.437 -2.778 6.257 1.00 10.38 N ATOM 563 CA PRO A 190 19.615 -3.136 5.445 1.00 10.85 C ATOM 564 C PRO A 190 19.619 -2.551 4.018 1.00 10.73 C ATOM 565 O PRO A 190 20.623 -1.965 3.611 1.00 11.03 O ATOM 566 CB PRO A 190 19.578 -4.668 5.403 1.00 11.43 C ATOM 567 CG PRO A 190 18.803 -5.071 6.610 1.00 11.22 C ATOM 568 CD PRO A 190 17.807 -3.971 6.860 1.00 10.57 C ATOM 0 HA PRO A 190 20.520 -2.720 5.888 1.00 10.85 H new ATOM 0 HB2 PRO A 190 19.101 -5.026 4.491 1.00 11.43 H new ATOM 0 HB3 PRO A 190 20.584 -5.087 5.422 1.00 11.43 H new ATOM 0 HG2 PRO A 190 18.298 -6.023 6.448 1.00 11.22 H new ATOM 0 HG3 PRO A 190 19.461 -5.202 7.469 1.00 11.22 H new ATOM 0 HD2 PRO A 190 16.844 -4.191 6.398 1.00 10.57 H new ATOM 0 HD3 PRO A 190 17.625 -3.831 7.926 1.00 10.57 H new ATOM 576 N PRO A 191 18.524 -2.688 3.224 1.00 10.37 N ATOM 577 CA PRO A 191 18.493 -2.157 1.856 1.00 10.30 C ATOM 578 C PRO A 191 18.633 -0.640 1.822 1.00 10.68 C ATOM 579 O PRO A 191 19.251 -0.083 0.915 1.00 10.94 O ATOM 580 CB PRO A 191 17.116 -2.572 1.326 1.00 9.89 C ATOM 581 CG PRO A 191 16.296 -2.844 2.535 1.00 9.82 C ATOM 582 CD PRO A 191 17.253 -3.355 3.571 1.00 10.13 C ATOM 0 HA PRO A 191 19.322 -2.540 1.261 1.00 10.30 H new ATOM 0 HB2 PRO A 191 16.673 -1.781 0.720 1.00 9.89 H new ATOM 0 HB3 PRO A 191 17.188 -3.456 0.693 1.00 9.89 H new ATOM 0 HG2 PRO A 191 15.794 -1.940 2.879 1.00 9.82 H new ATOM 0 HG3 PRO A 191 15.519 -3.579 2.324 1.00 9.82 H new ATOM 0 HD2 PRO A 191 16.927 -3.099 4.579 1.00 10.13 H new ATOM 0 HD3 PRO A 191 17.345 -4.440 3.532 1.00 10.13 H new ATOM 590 N ASN A 192 18.045 0.015 2.824 1.00 10.83 N ATOM 591 CA ASN A 192 18.067 1.475 2.943 1.00 11.33 C ATOM 592 C ASN A 192 17.345 2.133 1.773 1.00 11.24 C ATOM 593 O ASN A 192 17.483 3.333 1.530 1.00 11.75 O ATOM 594 CB ASN A 192 19.503 1.995 3.041 1.00 11.90 C ATOM 595 CG ASN A 192 19.939 2.206 4.475 1.00 12.46 C ATOM 596 OD1 ASN A 192 19.137 2.568 5.336 1.00 12.68 O ATOM 597 ND2 ASN A 192 21.217 1.989 4.739 1.00 12.84 N ATOM 0 H ASN A 192 17.539 -0.452 3.577 1.00 10.83 H new ATOM 0 HA ASN A 192 17.541 1.738 3.861 1.00 11.33 H new ATOM 0 HB2 ASN A 192 20.177 1.287 2.559 1.00 11.90 H new ATOM 0 HB3 ASN A 192 19.585 2.936 2.496 1.00 11.90 H new ATOM 0 HD21 ASN A 192 21.572 2.121 5.686 1.00 12.84 H new ATOM 0 HD22 ASN A 192 21.848 1.690 3.995 1.00 12.84 H new ATOM 604 N ILE A 193 16.569 1.336 1.056 1.00 10.63 N ATOM 605 CA ILE A 193 15.799 1.820 -0.076 1.00 10.51 C ATOM 606 C ILE A 193 14.372 2.054 0.383 1.00 9.90 C ATOM 607 O ILE A 193 13.882 1.337 1.252 1.00 9.52 O ATOM 608 CB ILE A 193 15.827 0.821 -1.252 1.00 10.37 C ATOM 609 CG1 ILE A 193 17.271 0.402 -1.548 1.00 10.58 C ATOM 610 CG2 ILE A 193 15.180 1.433 -2.487 1.00 10.81 C ATOM 611 CD1 ILE A 193 17.393 -0.911 -2.288 1.00 10.26 C ATOM 0 H ILE A 193 16.456 0.340 1.242 1.00 10.63 H new ATOM 0 HA ILE A 193 16.240 2.749 -0.436 1.00 10.51 H new ATOM 0 HB ILE A 193 15.257 -0.066 -0.975 1.00 10.37 H new ATOM 0 HG12 ILE A 193 17.752 1.184 -2.136 1.00 10.58 H new ATOM 0 HG13 ILE A 193 17.817 0.329 -0.607 1.00 10.58 H new ATOM 0 HG21 ILE A 193 15.209 0.715 -3.306 1.00 10.81 H new ATOM 0 HG22 ILE A 193 14.144 1.690 -2.266 1.00 10.81 H new ATOM 0 HG23 ILE A 193 15.724 2.333 -2.774 1.00 10.81 H new ATOM 0 HD11 ILE A 193 18.446 -1.136 -2.459 1.00 10.26 H new ATOM 0 HD12 ILE A 193 16.944 -1.707 -1.694 1.00 10.26 H new ATOM 0 HD13 ILE A 193 16.878 -0.838 -3.246 1.00 10.26 H new ATOM 623 N ASN A 194 13.705 3.046 -0.183 1.00 9.87 N ATOM 624 CA ASN A 194 12.348 3.364 0.240 1.00 9.35 C ATOM 625 C ASN A 194 11.286 2.780 -0.687 1.00 8.86 C ATOM 626 O ASN A 194 10.137 2.633 -0.284 1.00 8.57 O ATOM 627 CB ASN A 194 12.155 4.879 0.338 1.00 9.78 C ATOM 628 CG ASN A 194 13.287 5.579 1.070 1.00 10.10 C ATOM 629 OD1 ASN A 194 13.331 5.598 2.300 1.00 10.43 O ATOM 630 ND2 ASN A 194 14.202 6.178 0.321 1.00 10.17 N ATOM 0 H ASN A 194 14.073 3.639 -0.927 1.00 9.87 H new ATOM 0 HA ASN A 194 12.219 2.907 1.221 1.00 9.35 H new ATOM 0 HB2 ASN A 194 12.069 5.294 -0.666 1.00 9.78 H new ATOM 0 HB3 ASN A 194 11.216 5.087 0.850 1.00 9.78 H new ATOM 0 HD21 ASN A 194 14.975 6.676 0.762 1.00 10.17 H new ATOM 0 HD22 ASN A 194 14.133 6.141 -0.696 1.00 10.17 H new ATOM 637 N THR A 195 11.650 2.417 -1.914 1.00 8.88 N ATOM 638 CA THR A 195 10.666 1.882 -2.850 1.00 8.49 C ATOM 639 C THR A 195 10.252 0.479 -2.430 1.00 7.92 C ATOM 640 O THR A 195 11.101 -0.383 -2.211 1.00 8.08 O ATOM 641 CB THR A 195 11.249 1.842 -4.280 1.00 9.05 C ATOM 642 OG1 THR A 195 12.451 2.625 -4.329 1.00 9.80 O ATOM 643 CG2 THR A 195 10.245 2.372 -5.295 1.00 8.98 C ATOM 0 H THR A 195 12.600 2.481 -2.278 1.00 8.88 H new ATOM 0 HA THR A 195 9.792 2.534 -2.841 1.00 8.49 H new ATOM 0 HB THR A 195 11.474 0.806 -4.534 1.00 9.05 H new ATOM 0 HG1 THR A 195 12.822 2.598 -5.236 1.00 9.80 H new ATOM 0 HG21 THR A 195 10.681 2.333 -6.293 1.00 8.98 H new ATOM 0 HG22 THR A 195 9.343 1.760 -5.269 1.00 8.98 H new ATOM 0 HG23 THR A 195 9.991 3.403 -5.051 1.00 8.98 H new ATOM 651 N TRP A 196 8.941 0.243 -2.401 1.00 7.29 N ATOM 652 CA TRP A 196 8.383 -1.038 -1.967 1.00 6.73 C ATOM 653 C TRP A 196 8.923 -2.220 -2.747 1.00 7.00 C ATOM 654 O TRP A 196 9.189 -3.266 -2.167 1.00 6.84 O ATOM 655 CB TRP A 196 6.858 -1.014 -2.040 1.00 6.14 C ATOM 656 CG TRP A 196 6.232 -0.549 -0.760 1.00 5.65 C ATOM 657 CD1 TRP A 196 5.439 0.544 -0.582 1.00 5.54 C ATOM 658 CD2 TRP A 196 6.361 -1.162 0.528 1.00 5.33 C ATOM 659 NE1 TRP A 196 5.072 0.652 0.736 1.00 5.20 N ATOM 660 CE2 TRP A 196 5.623 -0.384 1.438 1.00 5.06 C ATOM 661 CE3 TRP A 196 7.030 -2.293 0.999 1.00 5.33 C ATOM 662 CZ2 TRP A 196 5.535 -0.704 2.791 1.00 4.84 C ATOM 663 CZ3 TRP A 196 6.946 -2.609 2.341 1.00 5.05 C ATOM 664 CH2 TRP A 196 6.202 -1.816 3.223 1.00 4.82 C ATOM 0 H TRP A 196 8.239 0.930 -2.676 1.00 7.29 H new ATOM 0 HA TRP A 196 8.698 -1.172 -0.932 1.00 6.73 H new ATOM 0 HB2 TRP A 196 6.546 -0.358 -2.853 1.00 6.14 H new ATOM 0 HB3 TRP A 196 6.493 -2.013 -2.278 1.00 6.14 H new ATOM 0 HD1 TRP A 196 5.142 1.227 -1.364 1.00 5.54 H new ATOM 0 HE1 TRP A 196 4.483 1.387 1.129 1.00 5.20 H new ATOM 0 HE3 TRP A 196 7.604 -2.911 0.325 1.00 5.33 H new ATOM 0 HZ2 TRP A 196 4.961 -0.095 3.474 1.00 4.84 H new ATOM 0 HZ3 TRP A 196 7.462 -3.481 2.716 1.00 5.05 H new ATOM 0 HH2 TRP A 196 6.154 -2.089 4.267 1.00 4.82 H new ATOM 675 N GLN A 197 9.107 -2.049 -4.044 1.00 7.47 N ATOM 676 CA GLN A 197 9.615 -3.122 -4.884 1.00 7.85 C ATOM 677 C GLN A 197 10.963 -3.626 -4.379 1.00 8.27 C ATOM 678 O GLN A 197 11.270 -4.811 -4.476 1.00 8.37 O ATOM 679 CB GLN A 197 9.725 -2.651 -6.333 1.00 8.38 C ATOM 680 CG GLN A 197 8.496 -2.967 -7.167 1.00 8.33 C ATOM 681 CD GLN A 197 8.332 -4.454 -7.410 1.00 8.43 C ATOM 682 OE1 GLN A 197 7.709 -5.143 -6.470 1.00 8.59 O flip ATOM 683 NE2 GLN A 197 8.775 -4.980 -8.430 1.00 8.60 N flip ATOM 0 H GLN A 197 8.913 -1.179 -4.539 1.00 7.47 H new ATOM 0 HA GLN A 197 8.911 -3.953 -4.838 1.00 7.85 H new ATOM 0 HB2 GLN A 197 9.896 -1.574 -6.345 1.00 8.38 H new ATOM 0 HB3 GLN A 197 10.596 -3.117 -6.793 1.00 8.38 H new ATOM 0 HG2 GLN A 197 7.609 -2.584 -6.663 1.00 8.33 H new ATOM 0 HG3 GLN A 197 8.567 -2.450 -8.124 1.00 8.33 H new ATOM 0 HE21 GLN A 197 9.250 -4.412 -9.132 1.00 8.60 H new ATOM 0 HE22 GLN A 197 8.667 -5.984 -8.574 1.00 8.60 H new ATOM 692 N GLN A 198 11.781 -2.720 -3.872 1.00 8.57 N ATOM 693 CA GLN A 198 13.084 -3.090 -3.346 1.00 9.03 C ATOM 694 C GLN A 198 13.009 -3.423 -1.850 1.00 8.61 C ATOM 695 O GLN A 198 13.878 -4.113 -1.316 1.00 8.82 O ATOM 696 CB GLN A 198 14.099 -1.984 -3.626 1.00 9.66 C ATOM 697 CG GLN A 198 14.358 -1.785 -5.114 1.00 10.19 C ATOM 698 CD GLN A 198 15.645 -1.040 -5.393 1.00 10.85 C ATOM 699 OE1 GLN A 198 16.720 -1.637 -5.484 1.00 11.11 O ATOM 700 NE2 GLN A 198 15.547 0.271 -5.543 1.00 11.29 N ATOM 0 H GLN A 198 11.567 -1.724 -3.813 1.00 8.57 H new ATOM 0 HA GLN A 198 13.417 -3.994 -3.856 1.00 9.03 H new ATOM 0 HB2 GLN A 198 13.739 -1.049 -3.196 1.00 9.66 H new ATOM 0 HB3 GLN A 198 15.038 -2.224 -3.127 1.00 9.66 H new ATOM 0 HG2 GLN A 198 14.393 -2.758 -5.605 1.00 10.19 H new ATOM 0 HG3 GLN A 198 13.524 -1.237 -5.553 1.00 10.19 H new ATOM 0 HE21 GLN A 198 14.639 0.727 -5.460 1.00 11.29 H new ATOM 0 HE22 GLN A 198 16.380 0.825 -5.742 1.00 11.29 H new ATOM 709 N VAL A 199 11.958 -2.943 -1.182 1.00 8.07 N ATOM 710 CA VAL A 199 11.782 -3.181 0.252 1.00 7.70 C ATOM 711 C VAL A 199 11.206 -4.576 0.517 1.00 7.32 C ATOM 712 O VAL A 199 11.525 -5.205 1.528 1.00 7.31 O ATOM 713 CB VAL A 199 10.861 -2.116 0.908 1.00 7.25 C ATOM 714 CG1 VAL A 199 10.719 -2.359 2.404 1.00 7.19 C ATOM 715 CG2 VAL A 199 11.383 -0.709 0.660 1.00 7.41 C ATOM 0 H VAL A 199 11.217 -2.388 -1.610 1.00 8.07 H new ATOM 0 HA VAL A 199 12.773 -3.108 0.700 1.00 7.70 H new ATOM 0 HB VAL A 199 9.879 -2.209 0.445 1.00 7.25 H new ATOM 0 HG11 VAL A 199 10.069 -1.598 2.836 1.00 7.19 H new ATOM 0 HG12 VAL A 199 10.286 -3.345 2.573 1.00 7.19 H new ATOM 0 HG13 VAL A 199 11.700 -2.308 2.876 1.00 7.19 H new ATOM 0 HG21 VAL A 199 10.717 0.014 1.131 1.00 7.41 H new ATOM 0 HG22 VAL A 199 12.383 -0.612 1.083 1.00 7.41 H new ATOM 0 HG23 VAL A 199 11.423 -0.520 -0.413 1.00 7.41 H new ATOM 725 N THR A 200 10.382 -5.069 -0.408 1.00 7.10 N ATOM 726 CA THR A 200 9.761 -6.387 -0.273 1.00 6.83 C ATOM 727 C THR A 200 10.810 -7.495 -0.187 1.00 7.39 C ATOM 728 O THR A 200 10.554 -8.576 0.356 1.00 7.30 O ATOM 729 CB THR A 200 8.817 -6.676 -1.457 1.00 6.60 C ATOM 730 OG1 THR A 200 9.382 -6.150 -2.665 1.00 6.76 O ATOM 731 CG2 THR A 200 7.445 -6.060 -1.218 1.00 6.11 C ATOM 0 H THR A 200 10.128 -4.573 -1.262 1.00 7.10 H new ATOM 0 HA THR A 200 9.187 -6.373 0.653 1.00 6.83 H new ATOM 0 HB THR A 200 8.698 -7.756 -1.550 1.00 6.60 H new ATOM 0 HG1 THR A 200 8.780 -6.337 -3.416 1.00 6.76 H new ATOM 0 HG21 THR A 200 6.796 -6.277 -2.066 1.00 6.11 H new ATOM 0 HG22 THR A 200 7.010 -6.481 -0.312 1.00 6.11 H new ATOM 0 HG23 THR A 200 7.546 -4.981 -1.105 1.00 6.11 H new ATOM 739 N ALA A 201 11.999 -7.200 -0.708 1.00 8.02 N ATOM 740 CA ALA A 201 13.106 -8.140 -0.707 1.00 8.63 C ATOM 741 C ALA A 201 13.483 -8.555 0.712 1.00 8.64 C ATOM 742 O ALA A 201 14.044 -9.629 0.917 1.00 8.93 O ATOM 743 CB ALA A 201 14.307 -7.539 -1.419 1.00 9.32 C ATOM 0 H ALA A 201 12.217 -6.303 -1.141 1.00 8.02 H new ATOM 0 HA ALA A 201 12.787 -9.034 -1.242 1.00 8.63 H new ATOM 0 HB1 ALA A 201 15.130 -8.254 -1.411 1.00 9.32 H new ATOM 0 HB2 ALA A 201 14.039 -7.305 -2.449 1.00 9.32 H new ATOM 0 HB3 ALA A 201 14.614 -6.627 -0.908 1.00 9.32 H new ATOM 749 N LEU A 202 13.161 -7.707 1.688 1.00 8.38 N ATOM 750 CA LEU A 202 13.458 -7.995 3.088 1.00 8.45 C ATOM 751 C LEU A 202 12.770 -9.282 3.532 1.00 8.04 C ATOM 752 O LEU A 202 13.340 -10.090 4.269 1.00 8.27 O ATOM 753 CB LEU A 202 13.012 -6.835 3.981 1.00 8.32 C ATOM 754 CG LEU A 202 13.987 -5.661 4.059 1.00 8.50 C ATOM 755 CD1 LEU A 202 13.362 -4.496 4.815 1.00 8.35 C ATOM 756 CD2 LEU A 202 15.287 -6.093 4.721 1.00 9.03 C ATOM 0 H LEU A 202 12.694 -6.814 1.533 1.00 8.38 H new ATOM 0 HA LEU A 202 14.536 -8.122 3.184 1.00 8.45 H new ATOM 0 HB2 LEU A 202 12.053 -6.466 3.618 1.00 8.32 H new ATOM 0 HB3 LEU A 202 12.846 -7.216 4.989 1.00 8.32 H new ATOM 0 HG LEU A 202 14.210 -5.330 3.045 1.00 8.50 H new ATOM 0 HD11 LEU A 202 14.071 -3.669 4.860 1.00 8.35 H new ATOM 0 HD12 LEU A 202 12.458 -4.171 4.300 1.00 8.35 H new ATOM 0 HD13 LEU A 202 13.109 -4.813 5.827 1.00 8.35 H new ATOM 0 HD21 LEU A 202 15.970 -5.245 4.769 1.00 9.03 H new ATOM 0 HD22 LEU A 202 15.080 -6.450 5.730 1.00 9.03 H new ATOM 0 HD23 LEU A 202 15.743 -6.894 4.139 1.00 9.03 H new ATOM 768 N ALA A 203 11.546 -9.471 3.063 1.00 7.51 N ATOM 769 CA ALA A 203 10.774 -10.656 3.403 1.00 7.19 C ATOM 770 C ALA A 203 11.188 -11.832 2.526 1.00 7.64 C ATOM 771 O ALA A 203 11.163 -12.984 2.956 1.00 7.71 O ATOM 772 CB ALA A 203 9.286 -10.377 3.253 1.00 6.60 C ATOM 0 H ALA A 203 11.065 -8.817 2.445 1.00 7.51 H new ATOM 0 HA ALA A 203 10.975 -10.915 4.442 1.00 7.19 H new ATOM 0 HB1 ALA A 203 8.720 -11.272 3.511 1.00 6.60 H new ATOM 0 HB2 ALA A 203 9.000 -9.563 3.919 1.00 6.60 H new ATOM 0 HB3 ALA A 203 9.071 -10.096 2.222 1.00 6.60 H new ATOM 778 N GLN A 204 11.590 -11.530 1.301 1.00 8.03 N ATOM 779 CA GLN A 204 12.010 -12.557 0.354 1.00 8.56 C ATOM 780 C GLN A 204 13.370 -13.138 0.742 1.00 9.11 C ATOM 781 O GLN A 204 13.628 -14.323 0.531 1.00 9.51 O ATOM 782 CB GLN A 204 12.056 -11.978 -1.057 1.00 8.89 C ATOM 783 CG GLN A 204 10.678 -11.672 -1.627 1.00 8.56 C ATOM 784 CD GLN A 204 10.691 -10.506 -2.595 1.00 8.93 C ATOM 785 OE1 GLN A 204 11.703 -10.222 -3.230 1.00 9.22 O ATOM 786 NE2 GLN A 204 9.563 -9.826 -2.714 1.00 9.16 N ATOM 0 H GLN A 204 11.635 -10.579 0.936 1.00 8.03 H new ATOM 0 HA GLN A 204 11.282 -13.368 0.379 1.00 8.56 H new ATOM 0 HB2 GLN A 204 12.649 -11.064 -1.048 1.00 8.89 H new ATOM 0 HB3 GLN A 204 12.566 -12.682 -1.715 1.00 8.89 H new ATOM 0 HG2 GLN A 204 10.295 -12.557 -2.136 1.00 8.56 H new ATOM 0 HG3 GLN A 204 9.992 -11.452 -0.809 1.00 8.56 H new ATOM 0 HE21 GLN A 204 8.745 -10.096 -2.168 1.00 9.16 H new ATOM 0 HE22 GLN A 204 9.511 -9.032 -3.352 1.00 9.16 H new ATOM 795 N GLN A 205 14.229 -12.306 1.321 1.00 9.17 N ATOM 796 CA GLN A 205 15.553 -12.749 1.751 1.00 9.72 C ATOM 797 C GLN A 205 15.483 -13.409 3.125 1.00 9.52 C ATOM 798 O GLN A 205 16.505 -13.807 3.684 1.00 9.93 O ATOM 799 CB GLN A 205 16.535 -11.576 1.783 1.00 10.00 C ATOM 800 CG GLN A 205 17.109 -11.215 0.422 1.00 10.36 C ATOM 801 CD GLN A 205 18.117 -12.235 -0.082 1.00 10.95 C ATOM 802 OE1 GLN A 205 18.020 -13.426 0.211 1.00 11.13 O ATOM 803 NE2 GLN A 205 19.096 -11.773 -0.844 1.00 11.44 N ATOM 0 H GLN A 205 14.034 -11.322 1.504 1.00 9.17 H new ATOM 0 HA GLN A 205 15.911 -13.483 1.029 1.00 9.72 H new ATOM 0 HB2 GLN A 205 16.030 -10.703 2.196 1.00 10.00 H new ATOM 0 HB3 GLN A 205 17.355 -11.820 2.459 1.00 10.00 H new ATOM 0 HG2 GLN A 205 16.296 -11.128 -0.299 1.00 10.36 H new ATOM 0 HG3 GLN A 205 17.587 -10.237 0.482 1.00 10.36 H new ATOM 0 HE21 GLN A 205 19.144 -10.779 -1.066 1.00 11.44 H new ATOM 0 HE22 GLN A 205 19.803 -12.412 -1.209 1.00 11.44 H new ATOM 812 N LYS A 206 14.267 -13.499 3.662 1.00 8.93 N ATOM 813 CA LYS A 206 14.017 -14.117 4.965 1.00 8.75 C ATOM 814 C LYS A 206 14.704 -13.355 6.098 1.00 8.72 C ATOM 815 O LYS A 206 14.987 -13.917 7.158 1.00 8.89 O ATOM 816 CB LYS A 206 14.460 -15.584 4.954 1.00 9.26 C ATOM 817 CG LYS A 206 13.794 -16.406 3.864 1.00 9.36 C ATOM 818 CD LYS A 206 14.291 -17.839 3.857 1.00 9.64 C ATOM 819 CE LYS A 206 13.630 -18.647 2.753 1.00 9.95 C ATOM 820 NZ LYS A 206 13.944 -20.094 2.860 1.00 10.29 N1+ ATOM 0 H LYS A 206 13.426 -13.145 3.206 1.00 8.93 H new ATOM 0 HA LYS A 206 12.944 -14.074 5.149 1.00 8.75 H new ATOM 0 HB2 LYS A 206 15.541 -15.629 4.823 1.00 9.26 H new ATOM 0 HB3 LYS A 206 14.237 -16.031 5.923 1.00 9.26 H new ATOM 0 HG2 LYS A 206 12.714 -16.396 4.010 1.00 9.36 H new ATOM 0 HG3 LYS A 206 13.988 -15.949 2.894 1.00 9.36 H new ATOM 0 HD2 LYS A 206 15.372 -17.850 3.721 1.00 9.64 H new ATOM 0 HD3 LYS A 206 14.086 -18.302 4.822 1.00 9.64 H new ATOM 0 HE2 LYS A 206 12.550 -18.506 2.797 1.00 9.95 H new ATOM 0 HE3 LYS A 206 13.961 -18.275 1.783 1.00 9.95 H new ATOM 0 HZ1 LYS A 206 13.474 -20.609 2.088 1.00 10.29 H new ATOM 0 HZ2 LYS A 206 14.973 -20.232 2.792 1.00 10.29 H new ATOM 0 HZ3 LYS A 206 13.606 -20.456 3.774 1.00 10.29 H new ATOM 834 N LEU A 207 14.955 -12.070 5.876 1.00 8.58 N ATOM 835 CA LEU A 207 15.596 -11.233 6.881 1.00 8.66 C ATOM 836 C LEU A 207 14.552 -10.731 7.868 1.00 8.06 C ATOM 837 O LEU A 207 14.826 -10.562 9.055 1.00 8.10 O ATOM 838 CB LEU A 207 16.309 -10.048 6.225 1.00 9.02 C ATOM 839 CG LEU A 207 17.226 -10.399 5.053 1.00 9.66 C ATOM 840 CD1 LEU A 207 17.797 -9.135 4.431 1.00 9.96 C ATOM 841 CD2 LEU A 207 18.348 -11.322 5.503 1.00 10.21 C ATOM 0 H LEU A 207 14.724 -11.586 5.009 1.00 8.58 H new ATOM 0 HA LEU A 207 16.339 -11.829 7.410 1.00 8.66 H new ATOM 0 HB2 LEU A 207 15.556 -9.341 5.876 1.00 9.02 H new ATOM 0 HB3 LEU A 207 16.899 -9.535 6.985 1.00 9.02 H new ATOM 0 HG LEU A 207 16.635 -10.922 4.301 1.00 9.66 H new ATOM 0 HD11 LEU A 207 18.448 -9.401 3.598 1.00 9.96 H new ATOM 0 HD12 LEU A 207 16.982 -8.508 4.069 1.00 9.96 H new ATOM 0 HD13 LEU A 207 18.371 -8.588 5.179 1.00 9.96 H new ATOM 0 HD21 LEU A 207 18.988 -11.558 4.653 1.00 10.21 H new ATOM 0 HD22 LEU A 207 18.938 -10.828 6.275 1.00 10.21 H new ATOM 0 HD23 LEU A 207 17.923 -12.242 5.904 1.00 10.21 H new ATOM 853 N LEU A 208 13.351 -10.511 7.352 1.00 7.59 N ATOM 854 CA LEU A 208 12.236 -10.034 8.152 1.00 7.05 C ATOM 855 C LEU A 208 11.768 -11.123 9.109 1.00 6.95 C ATOM 856 O LEU A 208 11.300 -12.179 8.678 1.00 6.96 O ATOM 857 CB LEU A 208 11.088 -9.612 7.231 1.00 6.63 C ATOM 858 CG LEU A 208 10.318 -8.360 7.658 1.00 6.34 C ATOM 859 CD1 LEU A 208 11.230 -7.140 7.646 1.00 6.60 C ATOM 860 CD2 LEU A 208 9.119 -8.138 6.751 1.00 5.96 C ATOM 0 H LEU A 208 13.124 -10.658 6.369 1.00 7.59 H new ATOM 0 HA LEU A 208 12.560 -9.175 8.739 1.00 7.05 H new ATOM 0 HB2 LEU A 208 11.491 -9.445 6.232 1.00 6.63 H new ATOM 0 HB3 LEU A 208 10.384 -10.441 7.156 1.00 6.63 H new ATOM 0 HG LEU A 208 9.958 -8.509 8.676 1.00 6.34 H new ATOM 0 HD11 LEU A 208 10.664 -6.260 7.952 1.00 6.60 H new ATOM 0 HD12 LEU A 208 12.058 -7.298 8.337 1.00 6.60 H new ATOM 0 HD13 LEU A 208 11.621 -6.988 6.640 1.00 6.60 H new ATOM 0 HD21 LEU A 208 8.583 -7.244 7.069 1.00 5.96 H new ATOM 0 HD22 LEU A 208 9.459 -8.011 5.723 1.00 5.96 H new ATOM 0 HD23 LEU A 208 8.454 -9.000 6.810 1.00 5.96 H new ATOM 872 N THR A 209 11.912 -10.870 10.402 1.00 6.97 N ATOM 873 CA THR A 209 11.500 -11.825 11.416 1.00 7.00 C ATOM 874 C THR A 209 10.016 -11.635 11.726 1.00 6.57 C ATOM 875 O THR A 209 9.429 -10.625 11.328 1.00 6.24 O ATOM 876 CB THR A 209 12.330 -11.654 12.712 1.00 7.40 C ATOM 877 OG1 THR A 209 12.076 -10.373 13.304 1.00 7.39 O ATOM 878 CG2 THR A 209 13.817 -11.796 12.427 1.00 7.89 C ATOM 0 H THR A 209 12.312 -10.008 10.773 1.00 6.97 H new ATOM 0 HA THR A 209 11.671 -12.830 11.031 1.00 7.00 H new ATOM 0 HB THR A 209 12.029 -12.438 13.407 1.00 7.40 H new ATOM 0 HG1 THR A 209 12.537 -9.678 12.789 1.00 7.39 H new ATOM 0 HG21 THR A 209 14.378 -11.672 13.353 1.00 7.89 H new ATOM 0 HG22 THR A 209 14.015 -12.784 12.012 1.00 7.89 H new ATOM 0 HG23 THR A 209 14.125 -11.034 11.711 1.00 7.89 H new ATOM 886 N PRO A 210 9.373 -12.599 12.411 1.00 6.66 N ATOM 887 CA PRO A 210 7.954 -12.488 12.770 1.00 6.45 C ATOM 888 C PRO A 210 7.648 -11.180 13.495 1.00 6.38 C ATOM 889 O PRO A 210 6.577 -10.595 13.325 1.00 6.16 O ATOM 890 CB PRO A 210 7.732 -13.680 13.703 1.00 6.85 C ATOM 891 CG PRO A 210 8.767 -14.675 13.314 1.00 7.16 C ATOM 892 CD PRO A 210 9.960 -13.878 12.865 1.00 7.08 C ATOM 0 HA PRO A 210 7.306 -12.490 11.893 1.00 6.45 H new ATOM 0 HB2 PRO A 210 7.839 -13.388 14.748 1.00 6.85 H new ATOM 0 HB3 PRO A 210 6.728 -14.089 13.587 1.00 6.85 H new ATOM 0 HG2 PRO A 210 9.023 -15.321 14.154 1.00 7.16 H new ATOM 0 HG3 PRO A 210 8.406 -15.321 12.514 1.00 7.16 H new ATOM 0 HD2 PRO A 210 10.670 -13.727 13.678 1.00 7.08 H new ATOM 0 HD3 PRO A 210 10.498 -14.380 12.061 1.00 7.08 H new ATOM 900 N GLN A 211 8.612 -10.711 14.281 1.00 6.66 N ATOM 901 CA GLN A 211 8.457 -9.475 15.034 1.00 6.77 C ATOM 902 C GLN A 211 8.474 -8.256 14.112 1.00 6.45 C ATOM 903 O GLN A 211 7.899 -7.215 14.439 1.00 6.38 O ATOM 904 CB GLN A 211 9.567 -9.357 16.085 1.00 7.30 C ATOM 905 CG GLN A 211 9.381 -8.198 17.051 1.00 7.72 C ATOM 906 CD GLN A 211 8.077 -8.287 17.820 1.00 8.30 C ATOM 907 OE1 GLN A 211 8.017 -8.855 18.912 1.00 8.70 O ATOM 908 NE2 GLN A 211 7.023 -7.722 17.258 1.00 8.61 N ATOM 0 H GLN A 211 9.512 -11.172 14.412 1.00 6.66 H new ATOM 0 HA GLN A 211 7.489 -9.504 15.534 1.00 6.77 H new ATOM 0 HB2 GLN A 211 9.616 -10.286 16.653 1.00 7.30 H new ATOM 0 HB3 GLN A 211 10.524 -9.243 15.577 1.00 7.30 H new ATOM 0 HG2 GLN A 211 10.213 -8.178 17.754 1.00 7.72 H new ATOM 0 HG3 GLN A 211 9.409 -7.260 16.497 1.00 7.72 H new ATOM 0 HE21 GLN A 211 7.113 -7.261 16.353 1.00 8.61 H new ATOM 0 HE22 GLN A 211 6.119 -7.747 17.730 1.00 8.61 H new ATOM 917 N ASP A 212 9.103 -8.390 12.948 1.00 6.37 N ATOM 918 CA ASP A 212 9.189 -7.282 12.008 1.00 6.18 C ATOM 919 C ASP A 212 7.951 -7.285 11.135 1.00 5.63 C ATOM 920 O ASP A 212 7.486 -6.243 10.670 1.00 5.44 O ATOM 921 CB ASP A 212 10.440 -7.390 11.125 1.00 6.44 C ATOM 922 CG ASP A 212 11.733 -7.492 11.909 1.00 7.03 C ATOM 923 OD1 ASP A 212 12.000 -6.616 12.757 1.00 7.38 O ATOM 924 OD2 ASP A 212 12.498 -8.453 11.664 1.00 7.34 O1- ATOM 0 H ASP A 212 9.557 -9.249 12.637 1.00 6.37 H new ATOM 0 HA ASP A 212 9.257 -6.352 12.572 1.00 6.18 H new ATOM 0 HB2 ASP A 212 10.345 -8.265 10.482 1.00 6.44 H new ATOM 0 HB3 ASP A 212 10.489 -6.519 10.472 1.00 6.44 H new ATOM 929 N MET A 213 7.421 -8.485 10.937 1.00 5.47 N ATOM 930 CA MET A 213 6.233 -8.700 10.127 1.00 5.06 C ATOM 931 C MET A 213 5.059 -7.880 10.645 1.00 4.94 C ATOM 932 O MET A 213 4.403 -7.161 9.889 1.00 4.64 O ATOM 933 CB MET A 213 5.872 -10.183 10.150 1.00 5.15 C ATOM 934 CG MET A 213 5.488 -10.739 8.796 1.00 5.33 C ATOM 935 SD MET A 213 3.928 -10.062 8.181 1.00 5.56 S ATOM 936 CE MET A 213 3.426 -11.322 7.006 1.00 5.57 C ATOM 0 H MET A 213 7.807 -9.340 11.337 1.00 5.47 H new ATOM 0 HA MET A 213 6.446 -8.381 9.107 1.00 5.06 H new ATOM 0 HB2 MET A 213 6.720 -10.748 10.537 1.00 5.15 H new ATOM 0 HB3 MET A 213 5.045 -10.335 10.843 1.00 5.15 H new ATOM 0 HG2 MET A 213 6.281 -10.522 8.080 1.00 5.33 H new ATOM 0 HG3 MET A 213 5.407 -11.824 8.863 1.00 5.33 H new ATOM 0 HE1 MET A 213 2.478 -11.037 6.549 1.00 5.57 H new ATOM 0 HE2 MET A 213 4.187 -11.421 6.232 1.00 5.57 H new ATOM 0 HE3 MET A 213 3.308 -12.275 7.522 1.00 5.57 H new ATOM 946 N GLU A 214 4.823 -7.973 11.946 1.00 5.29 N ATOM 947 CA GLU A 214 3.723 -7.261 12.587 1.00 5.44 C ATOM 948 C GLU A 214 3.879 -5.746 12.458 1.00 5.41 C ATOM 949 O GLU A 214 2.894 -5.006 12.493 1.00 5.42 O ATOM 950 CB GLU A 214 3.634 -7.647 14.065 1.00 6.00 C ATOM 951 CG GLU A 214 3.547 -9.145 14.303 1.00 6.18 C ATOM 952 CD GLU A 214 2.430 -9.803 13.520 1.00 6.23 C ATOM 953 OE1 GLU A 214 1.289 -9.293 13.546 1.00 6.43 O ATOM 954 OE2 GLU A 214 2.685 -10.842 12.877 1.00 6.40 O1- ATOM 0 H GLU A 214 5.383 -8.539 12.584 1.00 5.29 H new ATOM 0 HA GLU A 214 2.804 -7.550 12.078 1.00 5.44 H new ATOM 0 HB2 GLU A 214 4.508 -7.256 14.586 1.00 6.00 H new ATOM 0 HB3 GLU A 214 2.759 -7.167 14.504 1.00 6.00 H new ATOM 0 HG2 GLU A 214 4.496 -9.607 14.030 1.00 6.18 H new ATOM 0 HG3 GLU A 214 3.396 -9.331 15.366 1.00 6.18 H new ATOM 961 N ALA A 215 5.115 -5.290 12.304 1.00 5.51 N ATOM 962 CA ALA A 215 5.395 -3.867 12.177 1.00 5.66 C ATOM 963 C ALA A 215 5.215 -3.395 10.737 1.00 5.27 C ATOM 964 O ALA A 215 4.742 -2.283 10.490 1.00 5.33 O ATOM 965 CB ALA A 215 6.805 -3.567 12.663 1.00 6.08 C ATOM 0 H ALA A 215 5.941 -5.887 12.264 1.00 5.51 H new ATOM 0 HA ALA A 215 4.683 -3.323 12.797 1.00 5.66 H new ATOM 0 HB1 ALA A 215 7.005 -2.500 12.564 1.00 6.08 H new ATOM 0 HB2 ALA A 215 6.899 -3.858 13.709 1.00 6.08 H new ATOM 0 HB3 ALA A 215 7.523 -4.128 12.065 1.00 6.08 H new ATOM 971 N ALA A 216 5.560 -4.261 9.789 1.00 4.95 N ATOM 972 CA ALA A 216 5.451 -3.937 8.374 1.00 4.66 C ATOM 973 C ALA A 216 3.995 -3.804 7.961 1.00 4.31 C ATOM 974 O ALA A 216 3.664 -3.038 7.051 1.00 4.17 O ATOM 975 CB ALA A 216 6.147 -4.999 7.535 1.00 4.61 C ATOM 0 H ALA A 216 5.919 -5.197 9.979 1.00 4.95 H new ATOM 0 HA ALA A 216 5.941 -2.979 8.203 1.00 4.66 H new ATOM 0 HB1 ALA A 216 6.058 -4.744 6.479 1.00 4.61 H new ATOM 0 HB2 ALA A 216 7.201 -5.046 7.809 1.00 4.61 H new ATOM 0 HB3 ALA A 216 5.681 -5.968 7.715 1.00 4.61 H new ATOM 981 N LYS A 217 3.130 -4.547 8.644 1.00 4.31 N ATOM 982 CA LYS A 217 1.701 -4.520 8.363 1.00 4.20 C ATOM 983 C LYS A 217 1.145 -3.106 8.511 1.00 4.42 C ATOM 984 O LYS A 217 0.398 -2.625 7.656 1.00 4.34 O ATOM 985 CB LYS A 217 0.951 -5.462 9.305 1.00 4.47 C ATOM 986 CG LYS A 217 1.255 -6.930 9.076 1.00 4.63 C ATOM 987 CD LYS A 217 0.588 -7.799 10.130 1.00 5.07 C ATOM 988 CE LYS A 217 0.941 -9.264 9.952 1.00 5.46 C ATOM 989 NZ LYS A 217 0.327 -10.118 11.003 1.00 5.88 N1+ ATOM 0 H LYS A 217 3.397 -5.178 9.400 1.00 4.31 H new ATOM 0 HA LYS A 217 1.558 -4.851 7.334 1.00 4.20 H new ATOM 0 HB2 LYS A 217 1.201 -5.206 10.334 1.00 4.47 H new ATOM 0 HB3 LYS A 217 -0.121 -5.300 9.188 1.00 4.47 H new ATOM 0 HG2 LYS A 217 0.910 -7.226 8.085 1.00 4.63 H new ATOM 0 HG3 LYS A 217 2.333 -7.089 9.099 1.00 4.63 H new ATOM 0 HD2 LYS A 217 0.895 -7.468 11.122 1.00 5.07 H new ATOM 0 HD3 LYS A 217 -0.493 -7.675 10.073 1.00 5.07 H new ATOM 0 HE2 LYS A 217 0.607 -9.601 8.971 1.00 5.46 H new ATOM 0 HE3 LYS A 217 2.024 -9.381 9.977 1.00 5.46 H new ATOM 0 HZ1 LYS A 217 0.725 -11.077 10.948 1.00 5.88 H new ATOM 0 HZ2 LYS A 217 0.527 -9.714 11.940 1.00 5.88 H new ATOM 0 HZ3 LYS A 217 -0.702 -10.162 10.858 1.00 5.88 H new ATOM 1003 N GLU A 218 1.533 -2.445 9.591 1.00 0.00 N ATOM 1004 CA GLU A 218 1.072 -1.085 9.856 1.00 0.00 C ATOM 1005 C GLU A 218 1.617 -0.121 8.830 1.00 0.00 C ATOM 1006 O GLU A 218 0.898 0.761 8.360 1.00 0.00 O ATOM 1007 CB GLU A 218 1.501 -0.655 11.288 1.00 0.00 C ATOM 1008 CG GLU A 218 0.763 -1.377 12.462 1.00 0.00 C ATOM 1009 CD GLU A 218 1.214 -1.090 13.882 1.00 0.00 C ATOM 1010 OE1 GLU A 218 2.194 -0.354 14.106 1.00 0.00 O ATOM 1011 OE2 GLU A 218 0.546 -1.616 14.796 1.00 0.00 O1- ATOM 0 H GLU A 218 2.164 -2.824 10.298 1.00 0.00 H new ATOM 0 HA GLU A 218 -0.016 -1.066 9.788 1.00 0.00 H new ATOM 0 HB2 GLU A 218 2.572 -0.829 11.394 1.00 0.00 H new ATOM 0 HB3 GLU A 218 1.341 0.419 11.388 1.00 0.00 H new ATOM 0 HG2 GLU A 218 -0.296 -1.127 12.393 1.00 0.00 H new ATOM 0 HG3 GLU A 218 0.848 -2.451 12.297 1.00 0.00 H new ATOM 1018 N VAL A 219 2.890 -0.284 8.487 1.00 4.99 N ATOM 1019 CA VAL A 219 3.548 0.586 7.519 1.00 5.07 C ATOM 1020 C VAL A 219 2.812 0.581 6.180 1.00 4.71 C ATOM 1021 O VAL A 219 2.473 1.638 5.648 1.00 4.89 O ATOM 1022 CB VAL A 219 5.018 0.165 7.292 1.00 5.20 C ATOM 1023 CG1 VAL A 219 5.710 1.108 6.319 1.00 5.47 C ATOM 1024 CG2 VAL A 219 5.774 0.116 8.612 1.00 5.63 C ATOM 0 H VAL A 219 3.490 -1.016 8.868 1.00 4.99 H new ATOM 0 HA VAL A 219 3.527 1.594 7.934 1.00 5.07 H new ATOM 0 HB VAL A 219 5.017 -0.834 6.857 1.00 5.20 H new ATOM 0 HG11 VAL A 219 6.743 0.790 6.176 1.00 5.47 H new ATOM 0 HG12 VAL A 219 5.189 1.089 5.362 1.00 5.47 H new ATOM 0 HG13 VAL A 219 5.695 2.121 6.721 1.00 5.47 H new ATOM 0 HG21 VAL A 219 6.806 -0.182 8.429 1.00 5.63 H new ATOM 0 HG22 VAL A 219 5.758 1.102 9.077 1.00 5.63 H new ATOM 0 HG23 VAL A 219 5.300 -0.606 9.276 1.00 5.63 H new ATOM 1034 N TYR A 220 2.543 -0.610 5.657 1.00 4.28 N ATOM 1035 CA TYR A 220 1.861 -0.740 4.375 1.00 4.00 C ATOM 1036 C TYR A 220 0.452 -0.147 4.432 1.00 4.14 C ATOM 1037 O TYR A 220 0.019 0.530 3.496 1.00 4.18 O ATOM 1038 CB TYR A 220 1.800 -2.209 3.946 1.00 3.69 C ATOM 1039 CG TYR A 220 1.525 -2.391 2.467 1.00 3.55 C ATOM 1040 CD1 TYR A 220 2.554 -2.309 1.535 1.00 3.97 C ATOM 1041 CD2 TYR A 220 0.240 -2.644 2.000 1.00 3.52 C ATOM 1042 CE1 TYR A 220 2.310 -2.471 0.185 1.00 4.12 C ATOM 1043 CE2 TYR A 220 -0.010 -2.807 0.650 1.00 3.66 C ATOM 1044 CZ TYR A 220 1.027 -2.721 -0.252 1.00 3.85 C ATOM 1045 OH TYR A 220 0.778 -2.886 -1.597 1.00 4.23 O ATOM 0 H TYR A 220 2.786 -1.496 6.099 1.00 4.28 H new ATOM 0 HA TYR A 220 2.434 -0.180 3.636 1.00 4.00 H new ATOM 0 HB2 TYR A 220 2.745 -2.692 4.195 1.00 3.69 H new ATOM 0 HB3 TYR A 220 1.022 -2.715 4.518 1.00 3.69 H new ATOM 0 HD1 TYR A 220 3.561 -2.115 1.873 1.00 3.97 H new ATOM 0 HD2 TYR A 220 -0.576 -2.714 2.704 1.00 3.52 H new ATOM 0 HE1 TYR A 220 3.121 -2.402 -0.525 1.00 4.12 H new ATOM 0 HE2 TYR A 220 -1.015 -3.001 0.304 1.00 3.66 H new ATOM 0 HH TYR A 220 -0.177 -3.056 -1.734 1.00 4.23 H new ATOM 1055 N LYS A 221 -0.252 -0.388 5.534 1.00 4.37 N ATOM 1056 CA LYS A 221 -1.610 0.120 5.695 1.00 4.73 C ATOM 1057 C LYS A 221 -1.630 1.646 5.767 1.00 5.09 C ATOM 1058 O LYS A 221 -2.413 2.301 5.072 1.00 5.27 O ATOM 1059 CB LYS A 221 -2.263 -0.464 6.951 1.00 5.11 C ATOM 1060 CG LYS A 221 -3.742 -0.139 7.058 1.00 5.12 C ATOM 1061 CD LYS A 221 -4.336 -0.619 8.372 1.00 5.57 C ATOM 1062 CE LYS A 221 -5.812 -0.272 8.462 1.00 5.79 C ATOM 1063 NZ LYS A 221 -6.407 -0.681 9.759 1.00 6.17 N1+ ATOM 0 H LYS A 221 0.094 -0.930 6.326 1.00 4.37 H new ATOM 0 HA LYS A 221 -2.179 -0.192 4.819 1.00 4.73 H new ATOM 0 HB2 LYS A 221 -2.134 -1.546 6.951 1.00 5.11 H new ATOM 0 HB3 LYS A 221 -1.748 -0.082 7.832 1.00 5.11 H new ATOM 0 HG2 LYS A 221 -3.884 0.938 6.968 1.00 5.12 H new ATOM 0 HG3 LYS A 221 -4.276 -0.602 6.228 1.00 5.12 H new ATOM 0 HD2 LYS A 221 -4.206 -1.698 8.461 1.00 5.57 H new ATOM 0 HD3 LYS A 221 -3.800 -0.164 9.205 1.00 5.57 H new ATOM 0 HE2 LYS A 221 -5.940 0.802 8.329 1.00 5.79 H new ATOM 0 HE3 LYS A 221 -6.348 -0.760 7.648 1.00 5.79 H new ATOM 0 HZ1 LYS A 221 -7.415 -0.424 9.775 1.00 6.17 H new ATOM 0 HZ2 LYS A 221 -6.310 -1.710 9.876 1.00 6.17 H new ATOM 0 HZ3 LYS A 221 -5.914 -0.196 10.536 1.00 6.17 H new ATOM 1077 N ILE A 222 -0.766 2.210 6.606 1.00 5.30 N ATOM 1078 CA ILE A 222 -0.689 3.659 6.770 1.00 5.78 C ATOM 1079 C ILE A 222 -0.286 4.333 5.459 1.00 5.68 C ATOM 1080 O ILE A 222 -0.798 5.399 5.109 1.00 6.01 O ATOM 1081 CB ILE A 222 0.305 4.037 7.893 1.00 6.15 C ATOM 1082 CG1 ILE A 222 -0.215 3.536 9.243 1.00 6.30 C ATOM 1083 CG2 ILE A 222 0.534 5.544 7.942 1.00 6.74 C ATOM 1084 CD1 ILE A 222 0.812 3.588 10.356 1.00 6.53 C ATOM 0 H ILE A 222 -0.109 1.686 7.183 1.00 5.30 H new ATOM 0 HA ILE A 222 -1.680 4.015 7.053 1.00 5.78 H new ATOM 0 HB ILE A 222 1.260 3.559 7.677 1.00 6.15 H new ATOM 0 HG12 ILE A 222 -1.080 4.133 9.532 1.00 6.30 H new ATOM 0 HG13 ILE A 222 -0.561 2.509 9.129 1.00 6.30 H new ATOM 0 HG21 ILE A 222 1.237 5.779 8.741 1.00 6.74 H new ATOM 0 HG22 ILE A 222 0.942 5.881 6.989 1.00 6.74 H new ATOM 0 HG23 ILE A 222 -0.413 6.050 8.131 1.00 6.74 H new ATOM 0 HD11 ILE A 222 0.367 3.217 11.279 1.00 6.53 H new ATOM 0 HD12 ILE A 222 1.668 2.967 10.091 1.00 6.53 H new ATOM 0 HD13 ILE A 222 1.141 4.617 10.500 1.00 6.53 H new ATOM 1096 N HIS A 223 0.614 3.691 4.726 1.00 5.31 N ATOM 1097 CA HIS A 223 1.085 4.217 3.453 1.00 5.36 C ATOM 1098 C HIS A 223 -0.069 4.325 2.458 1.00 5.26 C ATOM 1099 O HIS A 223 -0.200 5.323 1.751 1.00 5.59 O ATOM 1100 CB HIS A 223 2.188 3.318 2.887 1.00 5.11 C ATOM 1101 CG HIS A 223 3.023 3.964 1.824 1.00 5.45 C ATOM 1102 ND1 HIS A 223 3.909 3.231 1.079 1.00 5.42 N ATOM 1103 CD2 HIS A 223 3.078 5.260 1.424 1.00 5.95 C ATOM 1104 CE1 HIS A 223 4.485 4.083 0.252 1.00 5.92 C ATOM 1105 NE2 HIS A 223 4.011 5.326 0.421 1.00 6.23 N ATOM 0 H HIS A 223 1.034 2.801 4.994 1.00 5.31 H new ATOM 0 HA HIS A 223 1.493 5.214 3.619 1.00 5.36 H new ATOM 0 HB2 HIS A 223 2.839 3.003 3.703 1.00 5.11 H new ATOM 0 HB3 HIS A 223 1.732 2.417 2.477 1.00 5.11 H new ATOM 0 HD2 HIS A 223 2.499 6.081 1.819 1.00 5.95 H new ATOM 0 HE1 HIS A 223 5.242 3.813 -0.469 1.00 5.92 H new ATOM 0 HE2 HIS A 223 4.290 6.159 -0.096 1.00 6.23 H new ATOM 1113 N GLN A 224 -0.910 3.296 2.428 1.00 4.91 N ATOM 1114 CA GLN A 224 -2.058 3.264 1.527 1.00 4.90 C ATOM 1115 C GLN A 224 -3.024 4.409 1.826 1.00 5.38 C ATOM 1116 O GLN A 224 -3.623 4.983 0.918 1.00 5.57 O ATOM 1117 CB GLN A 224 -2.789 1.924 1.647 1.00 4.63 C ATOM 1118 CG GLN A 224 -2.517 0.973 0.492 1.00 4.79 C ATOM 1119 CD GLN A 224 -3.165 1.427 -0.802 1.00 4.97 C ATOM 1120 OE1 GLN A 224 -2.436 2.196 -1.595 1.00 5.09 O flip ATOM 1121 NE2 GLN A 224 -4.312 1.089 -1.087 1.00 5.38 N flip ATOM 0 H GLN A 224 -0.818 2.470 3.019 1.00 4.91 H new ATOM 0 HA GLN A 224 -1.689 3.383 0.508 1.00 4.90 H new ATOM 0 HB2 GLN A 224 -2.495 1.442 2.579 1.00 4.63 H new ATOM 0 HB3 GLN A 224 -3.861 2.110 1.708 1.00 4.63 H new ATOM 0 HG2 GLN A 224 -1.441 0.886 0.344 1.00 4.79 H new ATOM 0 HG3 GLN A 224 -2.885 -0.020 0.749 1.00 4.79 H new ATOM 0 HE21 GLN A 224 -4.842 0.495 -0.449 1.00 5.38 H new ATOM 0 HE22 GLN A 224 -4.734 1.402 -1.961 1.00 5.38 H new ATOM 1130 N GLN A 225 -3.153 4.744 3.104 1.00 5.66 N ATOM 1131 CA GLN A 225 -4.044 5.814 3.532 1.00 6.22 C ATOM 1132 C GLN A 225 -3.450 7.181 3.192 1.00 6.53 C ATOM 1133 O GLN A 225 -4.155 8.078 2.728 1.00 6.88 O ATOM 1134 CB GLN A 225 -4.297 5.708 5.035 1.00 6.56 C ATOM 1135 CG GLN A 225 -5.404 6.620 5.538 1.00 6.94 C ATOM 1136 CD GLN A 225 -5.691 6.425 7.011 1.00 7.36 C ATOM 1137 OE1 GLN A 225 -4.812 6.042 7.782 1.00 7.76 O ATOM 1138 NE2 GLN A 225 -6.926 6.678 7.409 1.00 7.56 N ATOM 0 H GLN A 225 -2.649 4.288 3.864 1.00 5.66 H new ATOM 0 HA GLN A 225 -4.991 5.712 3.002 1.00 6.22 H new ATOM 0 HB2 GLN A 225 -4.550 4.676 5.279 1.00 6.56 H new ATOM 0 HB3 GLN A 225 -3.375 5.944 5.566 1.00 6.56 H new ATOM 0 HG2 GLN A 225 -5.124 7.658 5.360 1.00 6.94 H new ATOM 0 HG3 GLN A 225 -6.313 6.433 4.966 1.00 6.94 H new ATOM 0 HE21 GLN A 225 -7.624 6.994 6.736 1.00 7.56 H new ATOM 0 HE22 GLN A 225 -7.181 6.557 8.389 1.00 7.56 H new ATOM 1147 N LEU A 226 -2.148 7.323 3.417 1.00 6.49 N ATOM 1148 CA LEU A 226 -1.450 8.574 3.140 1.00 6.92 C ATOM 1149 C LEU A 226 -1.487 8.900 1.649 1.00 6.85 C ATOM 1150 O LEU A 226 -1.647 10.059 1.263 1.00 7.28 O ATOM 1151 CB LEU A 226 0.002 8.489 3.616 1.00 7.02 C ATOM 1152 CG LEU A 226 0.760 9.821 3.633 1.00 7.62 C ATOM 1153 CD1 LEU A 226 0.335 10.660 4.826 1.00 7.93 C ATOM 1154 CD2 LEU A 226 2.260 9.579 3.655 1.00 8.09 C ATOM 0 H LEU A 226 -1.553 6.584 3.792 1.00 6.49 H new ATOM 0 HA LEU A 226 -1.959 9.371 3.682 1.00 6.92 H new ATOM 0 HB2 LEU A 226 0.014 8.069 4.622 1.00 7.02 H new ATOM 0 HB3 LEU A 226 0.539 7.792 2.973 1.00 7.02 H new ATOM 0 HG LEU A 226 0.515 10.370 2.724 1.00 7.62 H new ATOM 0 HD11 LEU A 226 0.883 11.602 4.822 1.00 7.93 H new ATOM 0 HD12 LEU A 226 -0.734 10.862 4.766 1.00 7.93 H new ATOM 0 HD13 LEU A 226 0.551 10.118 5.747 1.00 7.93 H new ATOM 0 HD21 LEU A 226 2.783 10.535 3.667 1.00 8.09 H new ATOM 0 HD22 LEU A 226 2.524 9.010 4.547 1.00 8.09 H new ATOM 0 HD23 LEU A 226 2.551 9.017 2.767 1.00 8.09 H new ATOM 1166 N LEU A 227 -1.348 7.868 0.818 1.00 6.38 N ATOM 1167 CA LEU A 227 -1.359 8.036 -0.634 1.00 6.38 C ATOM 1168 C LEU A 227 -2.670 8.652 -1.113 1.00 6.51 C ATOM 1169 O LEU A 227 -2.686 9.452 -2.047 1.00 6.81 O ATOM 1170 CB LEU A 227 -1.135 6.690 -1.330 1.00 5.94 C ATOM 1171 CG LEU A 227 0.284 6.122 -1.221 1.00 5.92 C ATOM 1172 CD1 LEU A 227 0.341 4.714 -1.800 1.00 5.56 C ATOM 1173 CD2 LEU A 227 1.282 7.031 -1.930 1.00 6.51 C ATOM 0 H LEU A 227 -1.226 6.904 1.127 1.00 6.38 H new ATOM 0 HA LEU A 227 -0.547 8.715 -0.893 1.00 6.38 H new ATOM 0 HB2 LEU A 227 -1.832 5.964 -0.912 1.00 5.94 H new ATOM 0 HB3 LEU A 227 -1.384 6.800 -2.385 1.00 5.94 H new ATOM 0 HG LEU A 227 0.554 6.073 -0.166 1.00 5.92 H new ATOM 0 HD11 LEU A 227 1.356 4.326 -1.714 1.00 5.56 H new ATOM 0 HD12 LEU A 227 -0.342 4.067 -1.250 1.00 5.56 H new ATOM 0 HD13 LEU A 227 0.050 4.740 -2.850 1.00 5.56 H new ATOM 0 HD21 LEU A 227 2.284 6.611 -1.841 1.00 6.51 H new ATOM 0 HD22 LEU A 227 1.015 7.113 -2.984 1.00 6.51 H new ATOM 0 HD23 LEU A 227 1.262 8.020 -1.473 1.00 6.51 H new ATOM 1185 N PHE A 228 -3.768 8.285 -0.464 1.00 6.38 N ATOM 1186 CA PHE A 228 -5.077 8.802 -0.835 1.00 6.62 C ATOM 1187 C PHE A 228 -5.163 10.304 -0.580 1.00 7.17 C ATOM 1188 O PHE A 228 -5.619 11.067 -1.434 1.00 7.44 O ATOM 1189 CB PHE A 228 -6.177 8.070 -0.059 1.00 6.57 C ATOM 1190 CG PHE A 228 -7.563 8.389 -0.525 1.00 6.89 C ATOM 1191 CD1 PHE A 228 -8.038 7.883 -1.720 1.00 7.26 C ATOM 1192 CD2 PHE A 228 -8.392 9.192 0.238 1.00 7.04 C ATOM 1193 CE1 PHE A 228 -9.313 8.171 -2.148 1.00 7.64 C ATOM 1194 CE2 PHE A 228 -9.670 9.483 -0.185 1.00 7.43 C ATOM 1195 CZ PHE A 228 -10.133 8.974 -1.380 1.00 7.67 C ATOM 0 H PHE A 228 -3.777 7.633 0.320 1.00 6.38 H new ATOM 0 HA PHE A 228 -5.221 8.628 -1.901 1.00 6.62 H new ATOM 0 HB2 PHE A 228 -6.014 6.996 -0.144 1.00 6.57 H new ATOM 0 HB3 PHE A 228 -6.092 8.323 0.998 1.00 6.57 H new ATOM 0 HD1 PHE A 228 -7.401 7.254 -2.325 1.00 7.26 H new ATOM 0 HD2 PHE A 228 -8.034 9.594 1.174 1.00 7.04 H new ATOM 0 HE1 PHE A 228 -9.673 7.769 -3.084 1.00 7.64 H new ATOM 0 HE2 PHE A 228 -10.309 10.110 0.419 1.00 7.43 H new ATOM 0 HZ PHE A 228 -11.134 9.203 -1.714 1.00 7.67 H new ATOM 1205 N LYS A 229 -4.696 10.727 0.585 1.00 7.38 N ATOM 1206 CA LYS A 229 -4.731 12.136 0.953 1.00 7.96 C ATOM 1207 C LYS A 229 -3.758 12.950 0.108 1.00 8.17 C ATOM 1208 O LYS A 229 -4.053 14.084 -0.272 1.00 8.60 O ATOM 1209 CB LYS A 229 -4.400 12.312 2.437 1.00 8.19 C ATOM 1210 CG LYS A 229 -5.438 11.710 3.368 1.00 8.20 C ATOM 1211 CD LYS A 229 -5.261 12.209 4.792 1.00 8.62 C ATOM 1212 CE LYS A 229 -6.295 11.597 5.718 1.00 8.81 C ATOM 1213 NZ LYS A 229 -6.398 12.334 7.004 1.00 9.36 N1+ ATOM 0 H LYS A 229 -4.288 10.116 1.292 1.00 7.38 H new ATOM 0 HA LYS A 229 -5.741 12.502 0.766 1.00 7.96 H new ATOM 0 HB2 LYS A 229 -3.432 11.854 2.641 1.00 8.19 H new ATOM 0 HB3 LYS A 229 -4.302 13.375 2.655 1.00 8.19 H new ATOM 0 HG2 LYS A 229 -6.437 11.963 3.014 1.00 8.20 H new ATOM 0 HG3 LYS A 229 -5.359 10.623 3.349 1.00 8.20 H new ATOM 0 HD2 LYS A 229 -4.260 11.962 5.145 1.00 8.62 H new ATOM 0 HD3 LYS A 229 -5.347 13.295 4.813 1.00 8.62 H new ATOM 0 HE2 LYS A 229 -7.267 11.593 5.224 1.00 8.81 H new ATOM 0 HE3 LYS A 229 -6.034 10.557 5.916 1.00 8.81 H new ATOM 0 HZ1 LYS A 229 -7.116 11.882 7.606 1.00 9.36 H new ATOM 0 HZ2 LYS A 229 -5.478 12.316 7.489 1.00 9.36 H new ATOM 0 HZ3 LYS A 229 -6.673 13.320 6.818 1.00 9.36 H new ATOM 1227 N ALA A 230 -2.606 12.359 -0.191 1.00 7.94 N ATOM 1228 CA ALA A 230 -1.584 13.027 -0.990 1.00 8.24 C ATOM 1229 C ALA A 230 -2.078 13.294 -2.411 1.00 8.26 C ATOM 1230 O ALA A 230 -1.601 14.209 -3.082 1.00 8.69 O ATOM 1231 CB ALA A 230 -0.311 12.196 -1.021 1.00 8.09 C ATOM 0 H ALA A 230 -2.356 11.417 0.109 1.00 7.94 H new ATOM 0 HA ALA A 230 -1.368 13.988 -0.523 1.00 8.24 H new ATOM 0 HB1 ALA A 230 0.442 12.707 -1.621 1.00 8.09 H new ATOM 0 HB2 ALA A 230 0.062 12.064 -0.005 1.00 8.09 H new ATOM 0 HB3 ALA A 230 -0.524 11.221 -1.459 1.00 8.09 H new ATOM 1603 N ASN B 116 -10.659 -7.460 1.585 1.00 11.51 N ATOM 1604 CA ASN B 116 -9.716 -8.034 0.620 1.00 10.99 C ATOM 1605 C ASN B 116 -8.271 -7.636 0.944 1.00 10.00 C ATOM 1606 O ASN B 116 -7.517 -7.207 0.070 1.00 9.54 O ATOM 1607 CB ASN B 116 -10.078 -7.607 -0.811 1.00 11.43 C ATOM 1608 CG ASN B 116 -9.568 -8.596 -1.846 1.00 11.80 C ATOM 1609 OD1 ASN B 116 -10.254 -9.559 -2.195 1.00 12.04 O ATOM 1610 ND2 ASN B 116 -8.358 -8.371 -2.333 1.00 12.05 N ATOM 0 HA ASN B 116 -9.790 -9.119 0.692 1.00 10.99 H new ATOM 0 HB2 ASN B 116 -11.161 -7.516 -0.899 1.00 11.43 H new ATOM 0 HB3 ASN B 116 -9.658 -6.622 -1.013 1.00 11.43 H new ATOM 0 HD21 ASN B 116 -7.960 -9.007 -3.024 1.00 12.05 H new ATOM 0 HD22 ASN B 116 -7.823 -7.562 -2.017 1.00 12.05 H new ATOM 1617 N SER B 117 -7.887 -7.766 2.208 1.00 9.85 N ATOM 1618 CA SER B 117 -6.536 -7.409 2.630 1.00 9.09 C ATOM 1619 C SER B 117 -5.514 -8.500 2.281 1.00 8.48 C ATOM 1620 O SER B 117 -4.303 -8.273 2.372 1.00 7.94 O ATOM 1621 CB SER B 117 -6.528 -7.134 4.133 1.00 9.58 C ATOM 1622 OG SER B 117 -7.554 -6.211 4.480 1.00 10.42 O ATOM 0 H SER B 117 -8.487 -8.114 2.956 1.00 9.85 H new ATOM 0 HA SER B 117 -6.241 -6.510 2.088 1.00 9.09 H new ATOM 0 HB2 SER B 117 -6.671 -8.066 4.679 1.00 9.58 H new ATOM 0 HB3 SER B 117 -5.558 -6.736 4.430 1.00 9.58 H new ATOM 0 HG SER B 117 -7.535 -6.048 5.446 1.00 10.42 H new ATOM 1628 N LYS B 118 -6.007 -9.669 1.870 1.00 8.71 N ATOM 1629 CA LYS B 118 -5.152 -10.806 1.508 1.00 8.32 C ATOM 1630 C LYS B 118 -4.081 -10.413 0.489 1.00 7.50 C ATOM 1631 O LYS B 118 -2.907 -10.756 0.647 1.00 7.07 O ATOM 1632 CB LYS B 118 -6.014 -11.952 0.945 1.00 9.09 C ATOM 1633 CG LYS B 118 -5.264 -12.920 0.033 1.00 9.49 C ATOM 1634 CD LYS B 118 -6.140 -14.098 -0.375 1.00 10.17 C ATOM 1635 CE LYS B 118 -5.754 -14.651 -1.742 1.00 10.68 C ATOM 1636 NZ LYS B 118 -6.250 -13.795 -2.853 1.00 11.16 N1+ ATOM 0 H LYS B 118 -7.005 -9.857 1.778 1.00 8.71 H new ATOM 0 HA LYS B 118 -4.643 -11.138 2.413 1.00 8.32 H new ATOM 0 HB2 LYS B 118 -6.439 -12.513 1.778 1.00 9.09 H new ATOM 0 HB3 LYS B 118 -6.849 -11.523 0.390 1.00 9.09 H new ATOM 0 HG2 LYS B 118 -4.925 -12.392 -0.858 1.00 9.49 H new ATOM 0 HG3 LYS B 118 -4.374 -13.287 0.544 1.00 9.49 H new ATOM 0 HD2 LYS B 118 -6.057 -14.887 0.372 1.00 10.17 H new ATOM 0 HD3 LYS B 118 -7.184 -13.785 -0.392 1.00 10.17 H new ATOM 0 HE2 LYS B 118 -4.669 -14.734 -1.806 1.00 10.68 H new ATOM 0 HE3 LYS B 118 -6.158 -15.657 -1.852 1.00 10.68 H new ATOM 0 HZ1 LYS B 118 -6.578 -14.397 -3.635 1.00 11.16 H new ATOM 0 HZ2 LYS B 118 -7.038 -13.208 -2.513 1.00 11.16 H new ATOM 0 HZ3 LYS B 118 -5.480 -13.181 -3.188 1.00 11.16 H new ATOM 1650 N GLU B 119 -4.491 -9.674 -0.536 1.00 7.48 N ATOM 1651 CA GLU B 119 -3.590 -9.238 -1.606 1.00 6.99 C ATOM 1652 C GLU B 119 -2.432 -8.377 -1.095 1.00 6.13 C ATOM 1653 O GLU B 119 -1.410 -8.247 -1.764 1.00 5.77 O ATOM 1654 CB GLU B 119 -4.380 -8.461 -2.659 1.00 7.65 C ATOM 1655 CG GLU B 119 -4.837 -9.313 -3.836 1.00 8.43 C ATOM 1656 CD GLU B 119 -5.441 -10.636 -3.408 1.00 9.01 C ATOM 1657 OE1 GLU B 119 -6.558 -10.634 -2.845 1.00 9.34 O ATOM 1658 OE2 GLU B 119 -4.801 -11.687 -3.633 1.00 9.37 O1- ATOM 0 H GLU B 119 -5.454 -9.359 -0.652 1.00 7.48 H new ATOM 0 HA GLU B 119 -3.154 -10.137 -2.042 1.00 6.99 H new ATOM 0 HB2 GLU B 119 -5.254 -8.012 -2.186 1.00 7.65 H new ATOM 0 HB3 GLU B 119 -3.764 -7.643 -3.032 1.00 7.65 H new ATOM 0 HG2 GLU B 119 -5.571 -8.756 -4.418 1.00 8.43 H new ATOM 0 HG3 GLU B 119 -3.988 -9.503 -4.492 1.00 8.43 H new ATOM 1665 N TRP B 120 -2.584 -7.800 0.086 1.00 6.01 N ATOM 1666 CA TRP B 120 -1.543 -6.949 0.642 1.00 5.38 C ATOM 1667 C TRP B 120 -0.598 -7.734 1.546 1.00 4.90 C ATOM 1668 O TRP B 120 0.561 -7.367 1.710 1.00 4.43 O ATOM 1669 CB TRP B 120 -2.166 -5.783 1.410 1.00 5.80 C ATOM 1670 CG TRP B 120 -3.016 -4.901 0.550 1.00 5.98 C ATOM 1671 CD1 TRP B 120 -2.740 -4.482 -0.722 1.00 6.39 C ATOM 1672 CD2 TRP B 120 -4.281 -4.328 0.896 1.00 6.18 C ATOM 1673 NE1 TRP B 120 -3.757 -3.686 -1.186 1.00 6.78 N ATOM 1674 CE2 TRP B 120 -4.715 -3.578 -0.213 1.00 6.64 C ATOM 1675 CE3 TRP B 120 -5.091 -4.382 2.032 1.00 6.35 C ATOM 1676 CZ2 TRP B 120 -5.922 -2.887 -0.216 1.00 7.17 C ATOM 1677 CZ3 TRP B 120 -6.289 -3.693 2.027 1.00 6.93 C ATOM 1678 CH2 TRP B 120 -6.696 -2.957 0.910 1.00 7.28 C ATOM 0 H TRP B 120 -3.411 -7.904 0.675 1.00 6.01 H new ATOM 0 HA TRP B 120 -0.956 -6.556 -0.189 1.00 5.38 H new ATOM 0 HB2 TRP B 120 -2.771 -6.176 2.227 1.00 5.80 H new ATOM 0 HB3 TRP B 120 -1.372 -5.186 1.859 1.00 5.80 H new ATOM 0 HD1 TRP B 120 -1.852 -4.740 -1.280 1.00 6.39 H new ATOM 0 HE1 TRP B 120 -3.794 -3.246 -2.106 1.00 6.78 H new ATOM 0 HE3 TRP B 120 -4.787 -4.951 2.898 1.00 6.35 H new ATOM 0 HZ2 TRP B 120 -6.237 -2.316 -1.077 1.00 7.17 H new ATOM 0 HZ3 TRP B 120 -6.922 -3.724 2.901 1.00 6.93 H new ATOM 0 HH2 TRP B 120 -7.640 -2.433 0.937 1.00 7.28 H new ATOM 1689 N THR B 121 -1.084 -8.824 2.123 1.00 5.33 N ATOM 1690 CA THR B 121 -0.257 -9.630 3.011 1.00 5.34 C ATOM 1691 C THR B 121 0.485 -10.722 2.242 1.00 5.03 C ATOM 1692 O THR B 121 1.475 -11.269 2.727 1.00 5.08 O ATOM 1693 CB THR B 121 -1.099 -10.261 4.135 1.00 6.28 C ATOM 1694 OG1 THR B 121 -2.197 -9.395 4.450 1.00 6.81 O ATOM 1695 CG2 THR B 121 -0.257 -10.491 5.388 1.00 6.77 C ATOM 0 H THR B 121 -2.036 -9.168 1.995 1.00 5.33 H new ATOM 0 HA THR B 121 0.479 -8.962 3.459 1.00 5.34 H new ATOM 0 HB THR B 121 -1.470 -11.225 3.788 1.00 6.28 H new ATOM 0 HG1 THR B 121 -2.735 -9.796 5.164 1.00 6.81 H new ATOM 0 HG21 THR B 121 -0.877 -10.937 6.166 1.00 6.77 H new ATOM 0 HG22 THR B 121 0.570 -11.162 5.153 1.00 6.77 H new ATOM 0 HG23 THR B 121 0.138 -9.538 5.741 1.00 6.77 H new ATOM 1703 N SER B 122 0.022 -11.025 1.033 1.00 5.01 N ATOM 1704 CA SER B 122 0.662 -12.049 0.218 1.00 4.99 C ATOM 1705 C SER B 122 1.942 -11.511 -0.414 1.00 4.55 C ATOM 1706 O SER B 122 2.787 -12.278 -0.879 1.00 4.76 O ATOM 1707 CB SER B 122 -0.300 -12.558 -0.861 1.00 5.61 C ATOM 1708 OG SER B 122 -1.222 -11.550 -1.245 1.00 6.23 O ATOM 0 H SER B 122 -0.787 -10.580 0.600 1.00 5.01 H new ATOM 0 HA SER B 122 0.926 -12.886 0.865 1.00 4.99 H new ATOM 0 HB2 SER B 122 0.267 -12.886 -1.732 1.00 5.61 H new ATOM 0 HB3 SER B 122 -0.842 -13.427 -0.488 1.00 5.61 H new ATOM 0 HG SER B 122 -1.949 -11.505 -0.590 1.00 6.23 H new ATOM 1714 N LEU B 123 2.093 -10.185 -0.396 1.00 4.24 N ATOM 1715 CA LEU B 123 3.270 -9.530 -0.956 1.00 4.22 C ATOM 1716 C LEU B 123 4.517 -9.858 -0.139 1.00 4.10 C ATOM 1717 O LEU B 123 5.644 -9.673 -0.597 1.00 4.50 O ATOM 1718 CB LEU B 123 3.061 -8.014 -1.013 1.00 4.40 C ATOM 1719 CG LEU B 123 2.375 -7.502 -2.281 1.00 5.14 C ATOM 1720 CD1 LEU B 123 1.873 -6.081 -2.079 1.00 5.74 C ATOM 1721 CD2 LEU B 123 3.330 -7.570 -3.468 1.00 5.71 C ATOM 0 H LEU B 123 1.408 -9.543 0.004 1.00 4.24 H new ATOM 0 HA LEU B 123 3.415 -9.905 -1.969 1.00 4.22 H new ATOM 0 HB2 LEU B 123 2.468 -7.712 -0.150 1.00 4.40 H new ATOM 0 HB3 LEU B 123 4.031 -7.525 -0.920 1.00 4.40 H new ATOM 0 HG LEU B 123 1.518 -8.141 -2.492 1.00 5.14 H new ATOM 0 HD11 LEU B 123 1.388 -5.733 -2.991 1.00 5.74 H new ATOM 0 HD12 LEU B 123 1.157 -6.061 -1.257 1.00 5.74 H new ATOM 0 HD13 LEU B 123 2.714 -5.428 -1.844 1.00 5.74 H new ATOM 0 HD21 LEU B 123 2.826 -7.202 -4.362 1.00 5.71 H new ATOM 0 HD22 LEU B 123 4.206 -6.954 -3.266 1.00 5.71 H new ATOM 0 HD23 LEU B 123 3.641 -8.603 -3.626 1.00 5.71 H new