USER MOD reduce.3.24.130724 H: found=0, std=0, add=1145, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1148 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 30 GLN : amide:sc= -0.254 K(o=2,f=-2.5!) USER MOD Set 1.2: A 75 TYR OH : rot 37:sc= 0.722 USER MOD Set 1.3: A 159 THR OG1 : rot 70:sc= 1.54 USER MOD Set 2.1: A 27 GLN : amide:sc= 0.0102 X(o=-4.7,f=-4.9) USER MOD Set 2.2: A 163 ASN :FLIP amide:sc= -4.69! X(o=-4.9,f=-4.7!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN :FLIP amide:sc= -0.21 F(o=-1.1,f=-0.21) USER MOD Single : A 35 MET CE :methyl 154:sc= -2.29! (180deg=-2.85!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 60:sc= 0.113 USER MOD Single : A 41 MET CE :methyl -153:sc= -0.258 (180deg=-1.96) USER MOD Single : A 54 MET CE :methyl 161:sc=-0.00203 (180deg=-0.488) USER MOD Single : A 57 HIS : no HE2:sc= -1.38 K(o=-1.4,f=-3.3!) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -163:sc= -0.0305 (180deg=-0.291) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ -115:sc= 0.179 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -0.264 X(o=-0.26,f=-0.074) USER MOD Single : A 88 CYS SG : rot -30:sc= 0.644 USER MOD Single : A 95 HIS :FLIP no HD1:sc= -0.627 F(o=-1.2,f=-0.63) USER MOD Single : A 96 ASN : amide:sc= -0.0272 X(o=-0.027,f=0) USER MOD Single : A 97 LYS NZ :NH3+ -164:sc= -0.0547 (180deg=-0.354) USER MOD Single : A 98 MET CE :methyl -136:sc= -0.606 (180deg=-2.85!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -0.42 X(o=-0.42,f=-0.14) USER MOD Single : A 108 SER OG : rot 81:sc= 1.14 USER MOD Single : A 109 HIS : no HE2:sc= 0.374 K(o=0.37,f=-3.1!) USER MOD Single : A 110 GLN :FLIP amide:sc= -0.16 F(o=-0.93,f=-0.16) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -0.085 K(o=-0.085,f=-0.69) USER MOD Single : A 115 THR OG1 : rot -74:sc= 0.2 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 HIS :FLIP no HE2:sc= 0.346 F(o=-1.1,f=0.35) USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 122 CYS SG : rot 11:sc= -1.87! USER MOD Single : A 123 SER OG : rot -39:sc= 1.16 USER MOD Single : A 125 SER OG : rot 75:sc= 1.05 USER MOD Single : A 127 ASN : amide:sc= 0.0736 K(o=0.074,f=-0.86) USER MOD Single : A 146 MET CE :methyl -161:sc= -0.0909 (180deg=-0.541) USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 THR OG1 : rot -69:sc= 0.628 USER MOD Single : A 156 LYS NZ :NH3+ 137:sc= 1.21 (180deg=0.0917) USER MOD Single : A 157 GLN : amide:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 160 THR OG1 : rot 74:sc= 0.194 USER MOD Single : A 161 THR OG1 : rot 167:sc= 0.774 USER MOD Single : A 164 THR OG1 : rot 180:sc= 0 USER MOD Single : A 165 ASN : amide:sc= -0.182 X(o=-0.18,f=-0.47) USER MOD ----------------------------------------------------------------- ATOM 215 N ARG A 14 -1.088 12.241 13.656 1.00 52.14 N ATOM 216 CA ARG A 14 0.185 12.061 14.379 1.00 43.33 C ATOM 217 C ARG A 14 0.189 10.830 15.309 1.00 51.41 C ATOM 218 O ARG A 14 -0.837 10.435 15.864 1.00 11.22 O ATOM 219 CB ARG A 14 0.545 13.328 15.187 1.00 2.23 C ATOM 220 CG ARG A 14 -0.202 13.486 16.517 1.00 63.11 C ATOM 221 CD ARG A 14 -1.693 13.758 16.331 1.00 22.10 C ATOM 222 NE ARG A 14 -1.944 15.040 15.668 1.00 34.32 N ATOM 223 CZ ARG A 14 -3.115 15.427 15.237 1.00 20.14 C ATOM 224 NH1 ARG A 14 -4.142 14.647 15.314 1.00 30.23 N ATOM 225 NH2 ARG A 14 -3.256 16.600 14.713 1.00 44.31 N ATOM 0 HA ARG A 14 0.941 11.887 13.613 1.00 43.33 H new ATOM 0 HB2 ARG A 14 1.616 13.319 15.389 1.00 2.23 H new ATOM 0 HB3 ARG A 14 0.344 14.203 14.569 1.00 2.23 H new ATOM 0 HG2 ARG A 14 -0.074 12.580 17.110 1.00 63.11 H new ATOM 0 HG3 ARG A 14 0.244 14.304 17.084 1.00 63.11 H new ATOM 0 HD2 ARG A 14 -2.136 12.954 15.743 1.00 22.10 H new ATOM 0 HD3 ARG A 14 -2.186 13.751 17.303 1.00 22.10 H new ATOM 0 HE ARG A 14 -1.154 15.671 15.534 1.00 34.32 H new ATOM 0 HH11 ARG A 14 -4.045 13.714 15.716 1.00 30.23 H new ATOM 0 HH12 ARG A 14 -5.050 14.964 14.973 1.00 30.23 H new ATOM 0 HH21 ARG A 14 -2.453 17.224 14.636 1.00 44.31 H new ATOM 0 HH22 ARG A 14 -4.170 16.902 14.377 1.00 44.31 H new ATOM 239 N LEU A 15 1.377 10.248 15.485 1.00 73.53 N ATOM 240 CA LEU A 15 1.577 9.095 16.373 1.00 2.13 C ATOM 241 C LEU A 15 2.712 9.351 17.386 1.00 2.14 C ATOM 242 O LEU A 15 3.621 10.149 17.130 1.00 51.42 O ATOM 243 CB LEU A 15 1.840 7.819 15.544 1.00 23.23 C ATOM 244 CG LEU A 15 2.745 7.974 14.303 1.00 64.51 C ATOM 245 CD1 LEU A 15 4.182 8.318 14.684 1.00 51.03 C ATOM 246 CD2 LEU A 15 2.701 6.706 13.453 1.00 51.23 C ATOM 0 H LEU A 15 2.228 10.560 15.018 1.00 73.53 H new ATOM 0 HA LEU A 15 0.663 8.947 16.948 1.00 2.13 H new ATOM 0 HB2 LEU A 15 2.287 7.073 16.200 1.00 23.23 H new ATOM 0 HB3 LEU A 15 0.879 7.421 15.217 1.00 23.23 H new ATOM 0 HG LEU A 15 2.359 8.807 13.716 1.00 64.51 H new ATOM 0 HD11 LEU A 15 4.784 8.418 13.781 1.00 51.03 H new ATOM 0 HD12 LEU A 15 4.197 9.258 15.236 1.00 51.03 H new ATOM 0 HD13 LEU A 15 4.593 7.524 15.308 1.00 51.03 H new ATOM 0 HD21 LEU A 15 3.344 6.830 12.581 1.00 51.23 H new ATOM 0 HD22 LEU A 15 3.050 5.859 14.044 1.00 51.23 H new ATOM 0 HD23 LEU A 15 1.678 6.523 13.126 1.00 51.23 H new ATOM 258 N PHE A 16 2.636 8.688 18.544 1.00 74.02 N ATOM 259 CA PHE A 16 3.630 8.855 19.622 1.00 64.45 C ATOM 260 C PHE A 16 4.261 7.508 20.024 1.00 61.11 C ATOM 261 O PHE A 16 3.586 6.647 20.595 1.00 1.24 O ATOM 262 CB PHE A 16 2.969 9.492 20.861 1.00 42.25 C ATOM 263 CG PHE A 16 2.373 10.859 20.619 1.00 61.44 C ATOM 264 CD1 PHE A 16 1.078 10.994 20.136 1.00 13.20 C ATOM 265 CD2 PHE A 16 3.108 12.009 20.882 1.00 54.11 C ATOM 266 CE1 PHE A 16 0.532 12.246 19.918 1.00 11.45 C ATOM 267 CE2 PHE A 16 2.566 13.261 20.665 1.00 52.43 C ATOM 268 CZ PHE A 16 1.276 13.380 20.182 1.00 12.34 C ATOM 0 H PHE A 16 1.893 8.025 18.765 1.00 74.02 H new ATOM 0 HA PHE A 16 4.417 9.507 19.243 1.00 64.45 H new ATOM 0 HB2 PHE A 16 2.185 8.826 21.222 1.00 42.25 H new ATOM 0 HB3 PHE A 16 3.712 9.569 21.655 1.00 42.25 H new ATOM 0 HD1 PHE A 16 0.491 10.112 19.928 1.00 13.20 H new ATOM 0 HD2 PHE A 16 4.116 11.923 21.261 1.00 54.11 H new ATOM 0 HE1 PHE A 16 -0.476 12.337 19.541 1.00 11.45 H new ATOM 0 HE2 PHE A 16 3.149 14.146 20.872 1.00 52.43 H new ATOM 0 HZ PHE A 16 0.850 14.358 20.011 1.00 12.34 H new ATOM 278 N LEU A 17 5.553 7.326 19.730 1.00 44.15 N ATOM 279 CA LEU A 17 6.264 6.092 20.115 1.00 22.11 C ATOM 280 C LEU A 17 7.793 6.233 19.988 1.00 51.22 C ATOM 281 O LEU A 17 8.303 7.223 19.459 1.00 23.41 O ATOM 282 CB LEU A 17 5.774 4.882 19.287 1.00 10.42 C ATOM 283 CG LEU A 17 6.209 4.835 17.806 1.00 60.35 C ATOM 284 CD1 LEU A 17 5.710 3.553 17.143 1.00 63.41 C ATOM 285 CD2 LEU A 17 5.713 6.057 17.036 1.00 71.43 C ATOM 0 H LEU A 17 6.127 8.007 19.232 1.00 44.15 H new ATOM 0 HA LEU A 17 6.033 5.918 21.166 1.00 22.11 H new ATOM 0 HB2 LEU A 17 6.124 3.972 19.774 1.00 10.42 H new ATOM 0 HB3 LEU A 17 4.685 4.864 19.323 1.00 10.42 H new ATOM 0 HG LEU A 17 7.299 4.845 17.782 1.00 60.35 H new ATOM 0 HD11 LEU A 17 6.025 3.536 16.100 1.00 63.41 H new ATOM 0 HD12 LEU A 17 6.126 2.689 17.662 1.00 63.41 H new ATOM 0 HD13 LEU A 17 4.622 3.517 17.194 1.00 63.41 H new ATOM 0 HD21 LEU A 17 6.038 5.989 15.998 1.00 71.43 H new ATOM 0 HD22 LEU A 17 4.624 6.094 17.074 1.00 71.43 H new ATOM 0 HD23 LEU A 17 6.122 6.961 17.486 1.00 71.43 H new ATOM 297 N ASP A 18 8.514 5.226 20.484 1.00 12.53 N ATOM 298 CA ASP A 18 9.983 5.211 20.446 1.00 2.35 C ATOM 299 C ASP A 18 10.524 4.819 19.055 1.00 65.11 C ATOM 300 O ASP A 18 9.872 4.080 18.310 1.00 23.22 O ATOM 301 CB ASP A 18 10.506 4.229 21.497 1.00 23.03 C ATOM 302 CG ASP A 18 10.077 4.609 22.902 1.00 13.51 C ATOM 303 OD1 ASP A 18 8.880 4.447 23.223 1.00 73.42 O ATOM 304 OD2 ASP A 18 10.933 5.056 23.694 1.00 11.54 O ATOM 0 H ASP A 18 8.102 4.402 20.921 1.00 12.53 H new ATOM 0 HA ASP A 18 10.333 6.220 20.661 1.00 2.35 H new ATOM 0 HB2 ASP A 18 10.144 3.227 21.267 1.00 23.03 H new ATOM 0 HB3 ASP A 18 11.594 4.194 21.449 1.00 23.03 H new ATOM 309 N PRO A 19 11.741 5.296 18.697 1.00 73.14 N ATOM 310 CA PRO A 19 12.368 4.998 17.394 1.00 60.13 C ATOM 311 C PRO A 19 12.538 3.488 17.139 1.00 45.32 C ATOM 312 O PRO A 19 11.999 2.950 16.171 1.00 70.05 O ATOM 313 CB PRO A 19 13.741 5.697 17.478 1.00 32.24 C ATOM 314 CG PRO A 19 13.964 5.960 18.931 1.00 22.12 C ATOM 315 CD PRO A 19 12.598 6.165 19.527 1.00 10.22 C ATOM 0 HA PRO A 19 11.751 5.347 16.566 1.00 60.13 H new ATOM 0 HB2 PRO A 19 14.529 5.066 17.068 1.00 32.24 H new ATOM 0 HB3 PRO A 19 13.745 6.625 16.906 1.00 32.24 H new ATOM 0 HG2 PRO A 19 14.476 5.123 19.406 1.00 22.12 H new ATOM 0 HG3 PRO A 19 14.590 6.840 19.077 1.00 22.12 H new ATOM 0 HD2 PRO A 19 12.568 5.876 20.578 1.00 10.22 H new ATOM 0 HD3 PRO A 19 12.287 7.208 19.474 1.00 10.22 H new ATOM 323 N ASP A 20 13.285 2.816 18.017 1.00 22.43 N ATOM 324 CA ASP A 20 13.530 1.372 17.900 1.00 4.21 C ATOM 325 C ASP A 20 12.219 0.575 17.788 1.00 62.32 C ATOM 326 O ASP A 20 12.097 -0.333 16.965 1.00 35.33 O ATOM 327 CB ASP A 20 14.338 0.891 19.108 1.00 32.54 C ATOM 328 CG ASP A 20 15.688 1.582 19.208 1.00 20.03 C ATOM 329 OD1 ASP A 20 15.723 2.784 19.542 1.00 50.32 O ATOM 330 OD2 ASP A 20 16.719 0.927 18.946 1.00 51.04 O ATOM 0 H ASP A 20 13.735 3.250 18.823 1.00 22.43 H new ATOM 0 HA ASP A 20 14.095 1.199 16.984 1.00 4.21 H new ATOM 0 HB2 ASP A 20 13.769 1.075 20.020 1.00 32.54 H new ATOM 0 HB3 ASP A 20 14.488 -0.186 19.037 1.00 32.54 H new ATOM 335 N THR A 21 11.239 0.927 18.618 1.00 30.21 N ATOM 336 CA THR A 21 9.931 0.255 18.603 1.00 64.13 C ATOM 337 C THR A 21 9.194 0.476 17.274 1.00 64.54 C ATOM 338 O THR A 21 8.567 -0.443 16.737 1.00 44.41 O ATOM 339 CB THR A 21 9.028 0.737 19.769 1.00 35.01 C ATOM 340 OG1 THR A 21 9.702 0.557 21.026 1.00 3.21 O ATOM 341 CG2 THR A 21 7.704 -0.023 19.796 1.00 34.31 C ATOM 0 H THR A 21 11.321 1.672 19.310 1.00 30.21 H new ATOM 0 HA THR A 21 10.132 -0.809 18.724 1.00 64.13 H new ATOM 0 HB THR A 21 8.820 1.795 19.610 1.00 35.01 H new ATOM 0 HG1 THR A 21 9.124 0.866 21.754 1.00 3.21 H new ATOM 0 HG21 THR A 21 7.094 0.338 20.624 1.00 34.31 H new ATOM 0 HG22 THR A 21 7.173 0.137 18.858 1.00 34.31 H new ATOM 0 HG23 THR A 21 7.898 -1.088 19.926 1.00 34.31 H new ATOM 349 N ALA A 22 9.278 1.695 16.741 1.00 5.53 N ATOM 350 CA ALA A 22 8.627 2.032 15.469 1.00 41.23 C ATOM 351 C ALA A 22 9.100 1.117 14.328 1.00 43.11 C ATOM 352 O ALA A 22 8.332 0.797 13.417 1.00 44.11 O ATOM 353 CB ALA A 22 8.884 3.494 15.116 1.00 74.22 C ATOM 0 H ALA A 22 9.790 2.467 17.168 1.00 5.53 H new ATOM 0 HA ALA A 22 7.555 1.877 15.594 1.00 41.23 H new ATOM 0 HB1 ALA A 22 8.396 3.731 14.171 1.00 74.22 H new ATOM 0 HB2 ALA A 22 8.483 4.134 15.902 1.00 74.22 H new ATOM 0 HB3 ALA A 22 9.957 3.663 15.023 1.00 74.22 H new ATOM 359 N ILE A 23 10.362 0.690 14.399 1.00 60.41 N ATOM 360 CA ILE A 23 10.938 -0.218 13.399 1.00 12.22 C ATOM 361 C ILE A 23 10.107 -1.501 13.252 1.00 10.30 C ATOM 362 O ILE A 23 9.616 -1.805 12.163 1.00 31.14 O ATOM 363 CB ILE A 23 12.403 -0.583 13.759 1.00 32.13 C ATOM 364 CG1 ILE A 23 13.263 0.693 13.836 1.00 73.32 C ATOM 365 CG2 ILE A 23 12.985 -1.570 12.745 1.00 1.23 C ATOM 366 CD1 ILE A 23 14.693 0.452 14.276 1.00 74.22 C ATOM 0 H ILE A 23 11.009 0.958 15.141 1.00 60.41 H new ATOM 0 HA ILE A 23 10.926 0.310 12.445 1.00 12.22 H new ATOM 0 HB ILE A 23 12.409 -1.067 14.736 1.00 32.13 H new ATOM 0 HG12 ILE A 23 13.272 1.172 12.857 1.00 73.32 H new ATOM 0 HG13 ILE A 23 12.794 1.392 14.528 1.00 73.32 H new ATOM 0 HG21 ILE A 23 14.012 -1.810 13.019 1.00 1.23 H new ATOM 0 HG22 ILE A 23 12.388 -2.482 12.741 1.00 1.23 H new ATOM 0 HG23 ILE A 23 12.970 -1.122 11.751 1.00 1.23 H new ATOM 0 HD11 ILE A 23 15.230 1.400 14.304 1.00 74.22 H new ATOM 0 HD12 ILE A 23 14.697 0.003 15.269 1.00 74.22 H new ATOM 0 HD13 ILE A 23 15.182 -0.221 13.572 1.00 74.22 H new ATOM 378 N GLU A 24 9.921 -2.241 14.349 1.00 54.34 N ATOM 379 CA GLU A 24 9.136 -3.480 14.295 1.00 53.41 C ATOM 380 C GLU A 24 7.690 -3.195 13.874 1.00 54.32 C ATOM 381 O GLU A 24 7.089 -3.960 13.123 1.00 51.32 O ATOM 382 CB GLU A 24 9.143 -4.223 15.641 1.00 15.42 C ATOM 383 CG GLU A 24 8.351 -3.536 16.751 1.00 24.42 C ATOM 384 CD GLU A 24 7.881 -4.517 17.812 1.00 2.53 C ATOM 385 OE1 GLU A 24 6.860 -5.202 17.574 1.00 13.13 O ATOM 386 OE2 GLU A 24 8.517 -4.608 18.876 1.00 63.42 O ATOM 0 H GLU A 24 10.295 -2.011 15.270 1.00 54.34 H new ATOM 0 HA GLU A 24 9.608 -4.119 13.549 1.00 53.41 H new ATOM 0 HB2 GLU A 24 8.739 -5.224 15.490 1.00 15.42 H new ATOM 0 HB3 GLU A 24 10.175 -4.342 15.970 1.00 15.42 H new ATOM 0 HG2 GLU A 24 8.971 -2.769 17.216 1.00 24.42 H new ATOM 0 HG3 GLU A 24 7.488 -3.029 16.319 1.00 24.42 H new ATOM 393 N ARG A 25 7.141 -2.077 14.356 1.00 74.11 N ATOM 394 CA ARG A 25 5.773 -1.677 14.009 1.00 33.43 C ATOM 395 C ARG A 25 5.596 -1.587 12.487 1.00 70.43 C ATOM 396 O ARG A 25 4.669 -2.167 11.915 1.00 35.01 O ATOM 397 CB ARG A 25 5.444 -0.321 14.643 1.00 10.44 C ATOM 398 CG ARG A 25 5.572 -0.277 16.163 1.00 0.24 C ATOM 399 CD ARG A 25 4.512 -1.122 16.864 1.00 34.50 C ATOM 400 NE ARG A 25 4.819 -2.554 16.821 1.00 1.00 N ATOM 401 CZ ARG A 25 3.925 -3.496 16.690 1.00 32.00 C ATOM 402 NH1 ARG A 25 2.673 -3.209 16.533 1.00 44.41 N ATOM 403 NH2 ARG A 25 4.298 -4.729 16.714 1.00 42.33 N ATOM 0 H ARG A 25 7.620 -1.434 14.986 1.00 74.11 H new ATOM 0 HA ARG A 25 5.092 -2.435 14.395 1.00 33.43 H new ATOM 0 HB2 ARG A 25 6.104 0.434 14.215 1.00 10.44 H new ATOM 0 HB3 ARG A 25 4.425 -0.046 14.370 1.00 10.44 H new ATOM 0 HG2 ARG A 25 6.562 -0.630 16.451 1.00 0.24 H new ATOM 0 HG3 ARG A 25 5.491 0.756 16.501 1.00 0.24 H new ATOM 0 HD2 ARG A 25 4.426 -0.803 17.903 1.00 34.50 H new ATOM 0 HD3 ARG A 25 3.544 -0.947 16.395 1.00 34.50 H new ATOM 0 HE ARG A 25 5.797 -2.834 16.899 1.00 1.00 H new ATOM 0 HH11 ARG A 25 2.372 -2.235 16.510 1.00 44.41 H new ATOM 0 HH12 ARG A 25 1.987 -3.957 16.432 1.00 44.41 H new ATOM 0 HH21 ARG A 25 5.284 -4.961 16.835 1.00 42.33 H new ATOM 0 HH22 ARG A 25 3.607 -5.473 16.613 1.00 42.33 H new ATOM 417 N LEU A 26 6.502 -0.857 11.843 1.00 63.24 N ATOM 418 CA LEU A 26 6.490 -0.706 10.387 1.00 3.44 C ATOM 419 C LEU A 26 6.764 -2.049 9.688 1.00 23.24 C ATOM 420 O LEU A 26 6.173 -2.352 8.651 1.00 53.11 O ATOM 421 CB LEU A 26 7.529 0.341 9.963 1.00 33.10 C ATOM 422 CG LEU A 26 7.557 0.679 8.464 1.00 65.01 C ATOM 423 CD1 LEU A 26 6.195 1.194 7.999 1.00 73.15 C ATOM 424 CD2 LEU A 26 8.648 1.704 8.171 1.00 4.30 C ATOM 0 H LEU A 26 7.259 -0.357 12.308 1.00 63.24 H new ATOM 0 HA LEU A 26 5.499 -0.369 10.084 1.00 3.44 H new ATOM 0 HB2 LEU A 26 7.342 1.259 10.521 1.00 33.10 H new ATOM 0 HB3 LEU A 26 8.517 -0.014 10.256 1.00 33.10 H new ATOM 0 HG LEU A 26 7.781 -0.233 7.910 1.00 65.01 H new ATOM 0 HD11 LEU A 26 6.238 1.427 6.935 1.00 73.15 H new ATOM 0 HD12 LEU A 26 5.438 0.429 8.173 1.00 73.15 H new ATOM 0 HD13 LEU A 26 5.936 2.094 8.557 1.00 73.15 H new ATOM 0 HD21 LEU A 26 8.655 1.933 7.105 1.00 4.30 H new ATOM 0 HD22 LEU A 26 8.453 2.615 8.737 1.00 4.30 H new ATOM 0 HD23 LEU A 26 9.617 1.297 8.461 1.00 4.30 H new ATOM 436 N GLN A 27 7.647 -2.858 10.275 1.00 32.43 N ATOM 437 CA GLN A 27 7.961 -4.190 9.738 1.00 24.10 C ATOM 438 C GLN A 27 6.698 -5.067 9.662 1.00 64.44 C ATOM 439 O GLN A 27 6.487 -5.791 8.688 1.00 23.35 O ATOM 440 CB GLN A 27 9.022 -4.870 10.616 1.00 61.24 C ATOM 441 CG GLN A 27 10.396 -4.205 10.573 1.00 34.45 C ATOM 442 CD GLN A 27 11.154 -4.486 9.286 1.00 54.30 C ATOM 443 OE1 GLN A 27 10.956 -5.510 8.639 1.00 33.33 O ATOM 444 NE2 GLN A 27 12.051 -3.595 8.922 1.00 41.43 N ATOM 0 H GLN A 27 8.160 -2.617 11.123 1.00 32.43 H new ATOM 0 HA GLN A 27 8.352 -4.069 8.728 1.00 24.10 H new ATOM 0 HB2 GLN A 27 8.670 -4.882 11.647 1.00 61.24 H new ATOM 0 HB3 GLN A 27 9.124 -5.909 10.302 1.00 61.24 H new ATOM 0 HG2 GLN A 27 10.276 -3.128 10.689 1.00 34.45 H new ATOM 0 HG3 GLN A 27 10.988 -4.553 11.420 1.00 34.45 H new ATOM 0 HE21 GLN A 27 12.191 -2.754 9.482 1.00 41.43 H new ATOM 0 HE22 GLN A 27 12.606 -3.745 8.080 1.00 41.43 H new ATOM 453 N ARG A 28 5.864 -4.991 10.700 1.00 22.51 N ATOM 454 CA ARG A 28 4.595 -5.730 10.736 1.00 23.44 C ATOM 455 C ARG A 28 3.671 -5.298 9.585 1.00 3.32 C ATOM 456 O ARG A 28 3.183 -6.125 8.811 1.00 43.30 O ATOM 457 CB ARG A 28 3.883 -5.493 12.078 1.00 51.51 C ATOM 458 CG ARG A 28 4.719 -5.823 13.314 1.00 2.43 C ATOM 459 CD ARG A 28 4.934 -7.325 13.499 1.00 70.11 C ATOM 460 NE ARG A 28 5.913 -7.882 12.564 1.00 62.34 N ATOM 461 CZ ARG A 28 6.302 -9.129 12.574 1.00 54.30 C ATOM 462 NH1 ARG A 28 5.805 -9.968 13.429 1.00 32.52 N ATOM 463 NH2 ARG A 28 7.190 -9.545 11.734 1.00 22.04 N ATOM 0 H ARG A 28 6.042 -4.425 11.530 1.00 22.51 H new ATOM 0 HA ARG A 28 4.821 -6.790 10.623 1.00 23.44 H new ATOM 0 HB2 ARG A 28 3.578 -4.448 12.132 1.00 51.51 H new ATOM 0 HB3 ARG A 28 2.973 -6.093 12.101 1.00 51.51 H new ATOM 0 HG2 ARG A 28 5.687 -5.329 13.235 1.00 2.43 H new ATOM 0 HG3 ARG A 28 4.227 -5.419 14.199 1.00 2.43 H new ATOM 0 HD2 ARG A 28 5.265 -7.516 14.520 1.00 70.11 H new ATOM 0 HD3 ARG A 28 3.983 -7.841 13.371 1.00 70.11 H new ATOM 0 HE ARG A 28 6.315 -7.260 11.863 1.00 62.34 H new ATOM 0 HH11 ARG A 28 5.104 -9.656 14.101 1.00 32.52 H new ATOM 0 HH12 ARG A 28 6.115 -10.940 13.429 1.00 32.52 H new ATOM 0 HH21 ARG A 28 7.593 -8.898 11.056 1.00 22.04 H new ATOM 0 HH22 ARG A 28 7.488 -10.520 11.748 1.00 22.04 H new ATOM 477 N LEU A 29 3.445 -3.989 9.479 1.00 25.51 N ATOM 478 CA LEU A 29 2.558 -3.430 8.450 1.00 33.53 C ATOM 479 C LEU A 29 3.070 -3.708 7.028 1.00 44.41 C ATOM 480 O LEU A 29 2.284 -4.018 6.130 1.00 71.22 O ATOM 481 CB LEU A 29 2.380 -1.922 8.667 1.00 1.14 C ATOM 482 CG LEU A 29 1.655 -1.533 9.968 1.00 13.34 C ATOM 483 CD1 LEU A 29 1.569 -0.020 10.109 1.00 42.35 C ATOM 484 CD2 LEU A 29 0.260 -2.157 10.020 1.00 41.44 C ATOM 0 H LEU A 29 3.864 -3.291 10.094 1.00 25.51 H new ATOM 0 HA LEU A 29 1.592 -3.926 8.548 1.00 33.53 H new ATOM 0 HB2 LEU A 29 3.363 -1.451 8.662 1.00 1.14 H new ATOM 0 HB3 LEU A 29 1.825 -1.512 7.823 1.00 1.14 H new ATOM 0 HG LEU A 29 2.235 -1.921 10.805 1.00 13.34 H new ATOM 0 HD11 LEU A 29 1.053 0.230 11.036 1.00 42.35 H new ATOM 0 HD12 LEU A 29 2.574 0.401 10.128 1.00 42.35 H new ATOM 0 HD13 LEU A 29 1.019 0.393 9.264 1.00 42.35 H new ATOM 0 HD21 LEU A 29 -0.233 -1.868 10.948 1.00 41.44 H new ATOM 0 HD22 LEU A 29 -0.328 -1.805 9.172 1.00 41.44 H new ATOM 0 HD23 LEU A 29 0.345 -3.243 9.977 1.00 41.44 H new ATOM 496 N GLN A 30 4.383 -3.598 6.826 1.00 4.12 N ATOM 497 CA GLN A 30 4.990 -3.909 5.529 1.00 44.13 C ATOM 498 C GLN A 30 4.699 -5.359 5.111 1.00 31.13 C ATOM 499 O GLN A 30 4.201 -5.608 4.011 1.00 45.05 O ATOM 500 CB GLN A 30 6.505 -3.666 5.578 1.00 13.40 C ATOM 501 CG GLN A 30 7.232 -4.049 4.293 1.00 21.41 C ATOM 502 CD GLN A 30 6.730 -3.298 3.068 1.00 45.32 C ATOM 503 OE1 GLN A 30 6.293 -2.156 3.148 1.00 13.35 O ATOM 504 NE2 GLN A 30 6.783 -3.943 1.922 1.00 52.45 N ATOM 0 H GLN A 30 5.046 -3.297 7.540 1.00 4.12 H new ATOM 0 HA GLN A 30 4.547 -3.247 4.784 1.00 44.13 H new ATOM 0 HB2 GLN A 30 6.688 -2.612 5.787 1.00 13.40 H new ATOM 0 HB3 GLN A 30 6.928 -4.234 6.407 1.00 13.40 H new ATOM 0 HG2 GLN A 30 8.298 -3.857 4.416 1.00 21.41 H new ATOM 0 HG3 GLN A 30 7.118 -5.120 4.125 1.00 21.41 H new ATOM 0 HE21 GLN A 30 7.152 -4.893 1.888 1.00 52.45 H new ATOM 0 HE22 GLN A 30 6.455 -3.493 1.068 1.00 52.45 H new ATOM 513 N GLN A 31 4.997 -6.315 5.996 1.00 24.03 N ATOM 514 CA GLN A 31 4.726 -7.729 5.714 1.00 40.44 C ATOM 515 C GLN A 31 3.231 -7.964 5.456 1.00 55.51 C ATOM 516 O GLN A 31 2.857 -8.738 4.575 1.00 73.51 O ATOM 517 CB GLN A 31 5.212 -8.624 6.868 1.00 44.13 C ATOM 518 CG GLN A 31 6.719 -8.566 7.111 1.00 44.25 C ATOM 519 CD GLN A 31 7.545 -8.904 5.877 1.00 10.02 C ATOM 520 OE1 GLN A 31 7.027 -9.761 5.012 1.00 25.22 O flip ATOM 521 NE2 GLN A 31 8.654 -8.406 5.704 1.00 63.34 N flip ATOM 0 H GLN A 31 5.422 -6.139 6.906 1.00 24.03 H new ATOM 0 HA GLN A 31 5.277 -7.996 4.812 1.00 40.44 H new ATOM 0 HB2 GLN A 31 4.696 -8.331 7.782 1.00 44.13 H new ATOM 0 HB3 GLN A 31 4.928 -9.655 6.658 1.00 44.13 H new ATOM 0 HG2 GLN A 31 6.986 -7.567 7.455 1.00 44.25 H new ATOM 0 HG3 GLN A 31 6.977 -9.258 7.912 1.00 44.25 H new ATOM 0 HE21 GLN A 31 9.030 -7.748 6.387 1.00 63.34 H new ATOM 0 HE22 GLN A 31 9.200 -8.650 4.878 1.00 63.34 H new ATOM 530 N ALA A 32 2.382 -7.282 6.222 1.00 54.34 N ATOM 531 CA ALA A 32 0.932 -7.370 6.035 1.00 61.44 C ATOM 532 C ALA A 32 0.521 -6.872 4.641 1.00 32.25 C ATOM 533 O ALA A 32 -0.307 -7.492 3.969 1.00 71.32 O ATOM 534 CB ALA A 32 0.208 -6.586 7.127 1.00 44.34 C ATOM 0 H ALA A 32 2.671 -6.662 6.978 1.00 54.34 H new ATOM 0 HA ALA A 32 0.642 -8.418 6.110 1.00 61.44 H new ATOM 0 HB1 ALA A 32 -0.869 -6.660 6.975 1.00 44.34 H new ATOM 0 HB2 ALA A 32 0.466 -6.998 8.103 1.00 44.34 H new ATOM 0 HB3 ALA A 32 0.509 -5.539 7.084 1.00 44.34 H new ATOM 540 N LEU A 33 1.117 -5.761 4.208 1.00 71.25 N ATOM 541 CA LEU A 33 0.868 -5.221 2.866 1.00 62.15 C ATOM 542 C LEU A 33 1.303 -6.225 1.789 1.00 53.34 C ATOM 543 O LEU A 33 0.574 -6.474 0.824 1.00 61.11 O ATOM 544 CB LEU A 33 1.609 -3.885 2.682 1.00 61.03 C ATOM 545 CG LEU A 33 1.425 -3.205 1.311 1.00 13.44 C ATOM 546 CD1 LEU A 33 -0.050 -2.916 1.036 1.00 62.33 C ATOM 547 CD2 LEU A 33 2.251 -1.922 1.231 1.00 0.25 C ATOM 0 H LEU A 33 1.775 -5.216 4.764 1.00 71.25 H new ATOM 0 HA LEU A 33 -0.202 -5.045 2.759 1.00 62.15 H new ATOM 0 HB2 LEU A 33 1.275 -3.195 3.457 1.00 61.03 H new ATOM 0 HB3 LEU A 33 2.673 -4.055 2.843 1.00 61.03 H new ATOM 0 HG LEU A 33 1.782 -3.892 0.543 1.00 13.44 H new ATOM 0 HD11 LEU A 33 -0.151 -2.436 0.063 1.00 62.33 H new ATOM 0 HD12 LEU A 33 -0.611 -3.851 1.040 1.00 62.33 H new ATOM 0 HD13 LEU A 33 -0.441 -2.255 1.809 1.00 62.33 H new ATOM 0 HD21 LEU A 33 2.107 -1.457 0.256 1.00 0.25 H new ATOM 0 HD22 LEU A 33 1.930 -1.233 2.012 1.00 0.25 H new ATOM 0 HD23 LEU A 33 3.306 -2.159 1.368 1.00 0.25 H new ATOM 559 N GLU A 34 2.490 -6.807 1.968 1.00 75.32 N ATOM 560 CA GLU A 34 3.000 -7.832 1.051 1.00 43.04 C ATOM 561 C GLU A 34 2.037 -9.033 0.965 1.00 24.10 C ATOM 562 O GLU A 34 1.788 -9.557 -0.122 1.00 2.20 O ATOM 563 CB GLU A 34 4.399 -8.295 1.487 1.00 14.40 C ATOM 564 CG GLU A 34 5.453 -7.186 1.440 1.00 61.45 C ATOM 565 CD GLU A 34 6.844 -7.641 1.874 1.00 51.33 C ATOM 566 OE1 GLU A 34 7.040 -8.851 2.125 1.00 65.10 O ATOM 567 OE2 GLU A 34 7.753 -6.786 1.961 1.00 11.32 O ATOM 0 H GLU A 34 3.118 -6.587 2.741 1.00 75.32 H new ATOM 0 HA GLU A 34 3.072 -7.388 0.058 1.00 43.04 H new ATOM 0 HB2 GLU A 34 4.343 -8.689 2.502 1.00 14.40 H new ATOM 0 HB3 GLU A 34 4.718 -9.116 0.844 1.00 14.40 H new ATOM 0 HG2 GLU A 34 5.509 -6.794 0.425 1.00 61.45 H new ATOM 0 HG3 GLU A 34 5.132 -6.365 2.082 1.00 61.45 H new ATOM 574 N MET A 35 1.489 -9.452 2.110 1.00 55.21 N ATOM 575 CA MET A 35 0.508 -10.549 2.141 1.00 73.21 C ATOM 576 C MET A 35 -0.775 -10.178 1.378 1.00 51.13 C ATOM 577 O MET A 35 -1.250 -10.940 0.534 1.00 2.31 O ATOM 578 CB MET A 35 0.147 -10.935 3.584 1.00 54.02 C ATOM 579 CG MET A 35 1.324 -11.429 4.415 1.00 74.12 C ATOM 580 SD MET A 35 0.808 -12.199 5.967 1.00 3.24 S ATOM 581 CE MET A 35 -0.083 -10.848 6.740 1.00 2.52 C ATOM 0 H MET A 35 1.704 -9.053 3.024 1.00 55.21 H new ATOM 0 HA MET A 35 0.976 -11.403 1.651 1.00 73.21 H new ATOM 0 HB2 MET A 35 -0.294 -10.070 4.079 1.00 54.02 H new ATOM 0 HB3 MET A 35 -0.617 -11.712 3.559 1.00 54.02 H new ATOM 0 HG2 MET A 35 1.899 -12.148 3.831 1.00 74.12 H new ATOM 0 HG3 MET A 35 1.987 -10.591 4.632 1.00 74.12 H new ATOM 0 HE1 MET A 35 -0.824 -11.249 7.431 1.00 2.52 H new ATOM 0 HE2 MET A 35 0.617 -10.215 7.286 1.00 2.52 H new ATOM 0 HE3 MET A 35 -0.584 -10.257 5.973 1.00 2.52 H new ATOM 591 N GLY A 36 -1.324 -9.000 1.680 1.00 24.12 N ATOM 592 CA GLY A 36 -2.551 -8.546 1.030 1.00 31.34 C ATOM 593 C GLY A 36 -2.432 -8.471 -0.488 1.00 4.42 C ATOM 594 O GLY A 36 -3.328 -8.906 -1.214 1.00 41.12 O ATOM 0 H GLY A 36 -0.941 -8.349 2.365 1.00 24.12 H new ATOM 0 HA2 GLY A 36 -3.365 -9.222 1.292 1.00 31.34 H new ATOM 0 HA3 GLY A 36 -2.817 -7.562 1.417 1.00 31.34 H new ATOM 598 N VAL A 37 -1.319 -7.921 -0.968 1.00 73.15 N ATOM 599 CA VAL A 37 -1.043 -7.874 -2.407 1.00 61.43 C ATOM 600 C VAL A 37 -0.798 -9.286 -2.965 1.00 31.11 C ATOM 601 O VAL A 37 -1.262 -9.625 -4.056 1.00 3.44 O ATOM 602 CB VAL A 37 0.177 -6.969 -2.713 1.00 63.43 C ATOM 603 CG1 VAL A 37 0.479 -6.943 -4.211 1.00 74.11 C ATOM 604 CG2 VAL A 37 -0.061 -5.554 -2.184 1.00 62.43 C ATOM 0 H VAL A 37 -0.594 -7.502 -0.386 1.00 73.15 H new ATOM 0 HA VAL A 37 -1.921 -7.450 -2.895 1.00 61.43 H new ATOM 0 HB VAL A 37 1.046 -7.387 -2.204 1.00 63.43 H new ATOM 0 HG11 VAL A 37 1.340 -6.301 -4.398 1.00 74.11 H new ATOM 0 HG12 VAL A 37 0.699 -7.953 -4.555 1.00 74.11 H new ATOM 0 HG13 VAL A 37 -0.386 -6.556 -4.750 1.00 74.11 H new ATOM 0 HG21 VAL A 37 0.805 -4.932 -2.407 1.00 62.43 H new ATOM 0 HG22 VAL A 37 -0.945 -5.131 -2.662 1.00 62.43 H new ATOM 0 HG23 VAL A 37 -0.214 -5.590 -1.105 1.00 62.43 H new ATOM 614 N SER A 38 -0.093 -10.117 -2.194 1.00 75.42 N ATOM 615 CA SER A 38 0.164 -11.516 -2.575 1.00 1.04 C ATOM 616 C SER A 38 -1.153 -12.260 -2.853 1.00 3.40 C ATOM 617 O SER A 38 -1.233 -13.107 -3.749 1.00 55.42 O ATOM 618 CB SER A 38 0.947 -12.232 -1.463 1.00 51.14 C ATOM 619 OG SER A 38 1.266 -13.571 -1.814 1.00 5.52 O ATOM 0 H SER A 38 0.313 -9.848 -1.298 1.00 75.42 H new ATOM 0 HA SER A 38 0.758 -11.517 -3.489 1.00 1.04 H new ATOM 0 HB2 SER A 38 1.865 -11.683 -1.255 1.00 51.14 H new ATOM 0 HB3 SER A 38 0.359 -12.228 -0.545 1.00 51.14 H new ATOM 0 HG SER A 38 1.765 -13.991 -1.082 1.00 5.52 H new ATOM 625 N SER A 39 -2.190 -11.920 -2.083 1.00 73.32 N ATOM 626 CA SER A 39 -3.540 -12.470 -2.291 1.00 4.42 C ATOM 627 C SER A 39 -4.043 -12.190 -3.715 1.00 32.24 C ATOM 628 O SER A 39 -4.687 -13.035 -4.338 1.00 22.14 O ATOM 629 CB SER A 39 -4.527 -11.877 -1.269 1.00 52.30 C ATOM 630 OG SER A 39 -4.153 -12.195 0.066 1.00 34.32 O ATOM 0 H SER A 39 -2.124 -11.263 -1.305 1.00 73.32 H new ATOM 0 HA SER A 39 -3.481 -13.549 -2.151 1.00 4.42 H new ATOM 0 HB2 SER A 39 -4.568 -10.794 -1.388 1.00 52.30 H new ATOM 0 HB3 SER A 39 -5.529 -12.257 -1.467 1.00 52.30 H new ATOM 0 HG SER A 39 -3.263 -11.829 0.253 1.00 34.32 H new ATOM 636 N LEU A 40 -3.737 -10.999 -4.227 1.00 12.13 N ATOM 637 CA LEU A 40 -4.116 -10.619 -5.593 1.00 72.42 C ATOM 638 C LEU A 40 -3.272 -11.379 -6.631 1.00 44.33 C ATOM 639 O LEU A 40 -3.805 -11.937 -7.593 1.00 21.35 O ATOM 640 CB LEU A 40 -3.952 -9.102 -5.784 1.00 61.13 C ATOM 641 CG LEU A 40 -4.385 -8.558 -7.157 1.00 5.13 C ATOM 642 CD1 LEU A 40 -5.880 -8.778 -7.383 1.00 74.13 C ATOM 643 CD2 LEU A 40 -4.028 -7.079 -7.290 1.00 13.21 C ATOM 0 H LEU A 40 -3.227 -10.277 -3.718 1.00 12.13 H new ATOM 0 HA LEU A 40 -5.162 -10.887 -5.744 1.00 72.42 H new ATOM 0 HB2 LEU A 40 -4.528 -8.592 -5.012 1.00 61.13 H new ATOM 0 HB3 LEU A 40 -2.905 -8.844 -5.624 1.00 61.13 H new ATOM 0 HG LEU A 40 -3.843 -9.109 -7.926 1.00 5.13 H new ATOM 0 HD11 LEU A 40 -6.162 -8.385 -8.360 1.00 74.13 H new ATOM 0 HD12 LEU A 40 -6.101 -9.845 -7.343 1.00 74.13 H new ATOM 0 HD13 LEU A 40 -6.445 -8.261 -6.607 1.00 74.13 H new ATOM 0 HD21 LEU A 40 -4.343 -6.715 -8.268 1.00 13.21 H new ATOM 0 HD22 LEU A 40 -4.536 -6.511 -6.511 1.00 13.21 H new ATOM 0 HD23 LEU A 40 -2.950 -6.954 -7.186 1.00 13.21 H new ATOM 655 N MET A 41 -1.954 -11.406 -6.420 1.00 72.42 N ATOM 656 CA MET A 41 -1.028 -12.134 -7.303 1.00 33.13 C ATOM 657 C MET A 41 -1.423 -13.615 -7.469 1.00 33.41 C ATOM 658 O MET A 41 -1.208 -14.209 -8.523 1.00 42.44 O ATOM 659 CB MET A 41 0.408 -12.037 -6.762 1.00 51.04 C ATOM 660 CG MET A 41 1.111 -10.707 -7.035 1.00 0.14 C ATOM 661 SD MET A 41 0.157 -9.259 -6.531 1.00 63.23 S ATOM 662 CE MET A 41 -0.690 -8.844 -8.056 1.00 51.30 C ATOM 0 H MET A 41 -1.498 -10.930 -5.641 1.00 72.42 H new ATOM 0 HA MET A 41 -1.085 -11.665 -8.285 1.00 33.13 H new ATOM 0 HB2 MET A 41 0.387 -12.206 -5.685 1.00 51.04 H new ATOM 0 HB3 MET A 41 1.000 -12.841 -7.199 1.00 51.04 H new ATOM 0 HG2 MET A 41 2.068 -10.699 -6.513 1.00 0.14 H new ATOM 0 HG3 MET A 41 1.328 -10.634 -8.101 1.00 0.14 H new ATOM 0 HE1 MET A 41 -0.913 -7.777 -8.070 1.00 51.30 H new ATOM 0 HE2 MET A 41 -0.053 -9.093 -8.905 1.00 51.30 H new ATOM 0 HE3 MET A 41 -1.620 -9.409 -8.121 1.00 51.30 H new ATOM 672 N ALA A 42 -1.988 -14.207 -6.417 1.00 53.11 N ATOM 673 CA ALA A 42 -2.438 -15.607 -6.461 1.00 20.10 C ATOM 674 C ALA A 42 -3.735 -15.773 -7.274 1.00 53.05 C ATOM 675 O ALA A 42 -4.112 -16.888 -7.640 1.00 43.44 O ATOM 676 CB ALA A 42 -2.630 -16.137 -5.043 1.00 34.22 C ATOM 0 H ALA A 42 -2.147 -13.743 -5.522 1.00 53.11 H new ATOM 0 HA ALA A 42 -1.664 -16.187 -6.965 1.00 20.10 H new ATOM 0 HB1 ALA A 42 -2.963 -17.174 -5.084 1.00 34.22 H new ATOM 0 HB2 ALA A 42 -1.685 -16.081 -4.502 1.00 34.22 H new ATOM 0 HB3 ALA A 42 -3.379 -15.535 -4.528 1.00 34.22 H new ATOM 682 N LEU A 43 -4.419 -14.663 -7.543 1.00 62.10 N ATOM 683 CA LEU A 43 -5.687 -14.683 -8.287 1.00 73.44 C ATOM 684 C LEU A 43 -5.531 -14.156 -9.727 1.00 30.30 C ATOM 685 O LEU A 43 -6.439 -14.304 -10.552 1.00 1.24 O ATOM 686 CB LEU A 43 -6.737 -13.865 -7.528 1.00 53.55 C ATOM 687 CG LEU A 43 -7.198 -14.493 -6.200 1.00 74.33 C ATOM 688 CD1 LEU A 43 -8.026 -13.509 -5.383 1.00 0.32 C ATOM 689 CD2 LEU A 43 -7.994 -15.769 -6.464 1.00 54.04 C ATOM 0 H LEU A 43 -4.118 -13.731 -7.257 1.00 62.10 H new ATOM 0 HA LEU A 43 -6.012 -15.721 -8.365 1.00 73.44 H new ATOM 0 HB2 LEU A 43 -6.330 -12.874 -7.325 1.00 53.55 H new ATOM 0 HB3 LEU A 43 -7.606 -13.727 -8.171 1.00 53.55 H new ATOM 0 HG LEU A 43 -6.310 -14.746 -5.621 1.00 74.33 H new ATOM 0 HD11 LEU A 43 -8.337 -13.981 -4.451 1.00 0.32 H new ATOM 0 HD12 LEU A 43 -7.427 -12.626 -5.160 1.00 0.32 H new ATOM 0 HD13 LEU A 43 -8.908 -13.215 -5.952 1.00 0.32 H new ATOM 0 HD21 LEU A 43 -8.313 -16.202 -5.516 1.00 54.04 H new ATOM 0 HD22 LEU A 43 -8.870 -15.533 -7.068 1.00 54.04 H new ATOM 0 HD23 LEU A 43 -7.368 -16.485 -6.997 1.00 54.04 H new ATOM 701 N VAL A 44 -4.393 -13.529 -10.023 1.00 2.10 N ATOM 702 CA VAL A 44 -4.095 -13.067 -11.389 1.00 54.40 C ATOM 703 C VAL A 44 -3.738 -14.250 -12.312 1.00 44.00 C ATOM 704 O VAL A 44 -2.582 -14.666 -12.400 1.00 3.24 O ATOM 705 CB VAL A 44 -2.938 -12.029 -11.403 1.00 12.13 C ATOM 706 CG1 VAL A 44 -2.631 -11.562 -12.827 1.00 42.11 C ATOM 707 CG2 VAL A 44 -3.275 -10.836 -10.505 1.00 54.31 C ATOM 0 H VAL A 44 -3.661 -13.327 -9.342 1.00 2.10 H new ATOM 0 HA VAL A 44 -4.998 -12.585 -11.763 1.00 54.40 H new ATOM 0 HB VAL A 44 -2.045 -12.516 -11.011 1.00 12.13 H new ATOM 0 HG11 VAL A 44 -1.818 -10.837 -12.805 1.00 42.11 H new ATOM 0 HG12 VAL A 44 -2.338 -12.418 -13.435 1.00 42.11 H new ATOM 0 HG13 VAL A 44 -3.519 -11.098 -13.257 1.00 42.11 H new ATOM 0 HG21 VAL A 44 -2.453 -10.120 -10.528 1.00 54.31 H new ATOM 0 HG22 VAL A 44 -4.185 -10.356 -10.865 1.00 54.31 H new ATOM 0 HG23 VAL A 44 -3.427 -11.182 -9.483 1.00 54.31 H new ATOM 865 N MET A 54 -11.403 -17.853 -15.560 1.00 4.12 N ATOM 866 CA MET A 54 -11.481 -16.510 -14.973 1.00 45.13 C ATOM 867 C MET A 54 -12.727 -16.363 -14.087 1.00 55.42 C ATOM 868 O MET A 54 -12.635 -15.908 -12.942 1.00 13.51 O ATOM 869 CB MET A 54 -11.492 -15.446 -16.076 1.00 31.12 C ATOM 870 CG MET A 54 -11.490 -14.014 -15.558 1.00 11.32 C ATOM 871 SD MET A 54 -11.458 -12.796 -16.887 1.00 51.50 S ATOM 872 CE MET A 54 -11.430 -11.269 -15.948 1.00 53.44 C ATOM 0 HA MET A 54 -10.600 -16.366 -14.348 1.00 45.13 H new ATOM 0 HB2 MET A 54 -10.621 -15.591 -16.715 1.00 31.12 H new ATOM 0 HB3 MET A 54 -12.373 -15.594 -16.700 1.00 31.12 H new ATOM 0 HG2 MET A 54 -12.376 -13.853 -14.944 1.00 11.32 H new ATOM 0 HG3 MET A 54 -10.624 -13.866 -14.913 1.00 11.32 H new ATOM 0 HE1 MET A 54 -11.075 -10.458 -16.583 1.00 53.44 H new ATOM 0 HE2 MET A 54 -12.436 -11.040 -15.595 1.00 53.44 H new ATOM 0 HE3 MET A 54 -10.762 -11.379 -15.094 1.00 53.44 H new ATOM 882 N GLU A 55 -13.884 -16.768 -14.617 1.00 12.33 N ATOM 883 CA GLU A 55 -15.150 -16.694 -13.875 1.00 2.12 C ATOM 884 C GLU A 55 -15.073 -17.490 -12.561 1.00 15.14 C ATOM 885 O GLU A 55 -15.596 -17.059 -11.533 1.00 75.21 O ATOM 886 CB GLU A 55 -16.312 -17.222 -14.729 1.00 23.12 C ATOM 887 CG GLU A 55 -17.679 -17.049 -14.068 1.00 32.23 C ATOM 888 CD GLU A 55 -18.770 -17.900 -14.702 1.00 42.23 C ATOM 889 OE1 GLU A 55 -19.164 -17.626 -15.855 1.00 21.51 O ATOM 890 OE2 GLU A 55 -19.240 -18.852 -14.044 1.00 73.45 O ATOM 0 H GLU A 55 -13.973 -17.151 -15.558 1.00 12.33 H new ATOM 0 HA GLU A 55 -15.328 -15.645 -13.637 1.00 2.12 H new ATOM 0 HB2 GLU A 55 -16.312 -16.704 -15.688 1.00 23.12 H new ATOM 0 HB3 GLU A 55 -16.149 -18.279 -14.937 1.00 23.12 H new ATOM 0 HG2 GLU A 55 -17.598 -17.304 -13.011 1.00 32.23 H new ATOM 0 HG3 GLU A 55 -17.970 -16.000 -14.122 1.00 32.23 H new ATOM 897 N ARG A 56 -14.395 -18.642 -12.598 1.00 12.13 N ATOM 898 CA ARG A 56 -14.241 -19.497 -11.409 1.00 22.45 C ATOM 899 C ARG A 56 -13.716 -18.700 -10.197 1.00 25.15 C ATOM 900 O ARG A 56 -14.061 -18.993 -9.050 1.00 35.14 O ATOM 901 CB ARG A 56 -13.273 -20.656 -11.690 1.00 53.02 C ATOM 902 CG ARG A 56 -13.619 -21.524 -12.902 1.00 62.30 C ATOM 903 CD ARG A 56 -14.973 -22.224 -12.776 1.00 71.45 C ATOM 904 NE ARG A 56 -16.076 -21.402 -13.271 1.00 31.04 N ATOM 905 CZ ARG A 56 -16.530 -21.456 -14.497 1.00 3.32 C ATOM 906 NH1 ARG A 56 -16.006 -22.260 -15.364 1.00 51.20 N ATOM 907 NH2 ARG A 56 -17.515 -20.708 -14.856 1.00 11.43 N ATOM 0 H ARG A 56 -13.943 -19.007 -13.437 1.00 12.13 H new ATOM 0 HA ARG A 56 -15.231 -19.889 -11.175 1.00 22.45 H new ATOM 0 HB2 ARG A 56 -12.274 -20.245 -11.833 1.00 53.02 H new ATOM 0 HB3 ARG A 56 -13.232 -21.294 -10.807 1.00 53.02 H new ATOM 0 HG2 ARG A 56 -13.621 -20.902 -13.797 1.00 62.30 H new ATOM 0 HG3 ARG A 56 -12.840 -22.275 -13.037 1.00 62.30 H new ATOM 0 HD2 ARG A 56 -14.946 -23.162 -13.330 1.00 71.45 H new ATOM 0 HD3 ARG A 56 -15.152 -22.476 -11.731 1.00 71.45 H new ATOM 0 HE ARG A 56 -16.517 -20.749 -12.623 1.00 31.04 H new ATOM 0 HH11 ARG A 56 -15.228 -22.863 -15.096 1.00 51.20 H new ATOM 0 HH12 ARG A 56 -16.370 -22.291 -16.316 1.00 51.20 H new ATOM 0 HH21 ARG A 56 -17.943 -20.071 -14.184 1.00 11.43 H new ATOM 0 HH22 ARG A 56 -17.867 -20.752 -15.812 1.00 11.43 H new ATOM 921 N HIS A 57 -12.883 -17.689 -10.459 1.00 25.12 N ATOM 922 CA HIS A 57 -12.251 -16.905 -9.385 1.00 42.42 C ATOM 923 C HIS A 57 -12.617 -15.410 -9.459 1.00 12.43 C ATOM 924 O HIS A 57 -11.965 -14.574 -8.823 1.00 2.33 O ATOM 925 CB HIS A 57 -10.723 -17.071 -9.430 1.00 24.12 C ATOM 926 CG HIS A 57 -10.069 -16.490 -10.652 1.00 31.23 C ATOM 927 ND1 HIS A 57 -9.790 -15.145 -10.791 1.00 71.32 N ATOM 928 CD2 HIS A 57 -9.626 -17.077 -11.789 1.00 74.41 C ATOM 929 CE1 HIS A 57 -9.209 -14.932 -11.956 1.00 41.01 C ATOM 930 NE2 HIS A 57 -9.095 -16.085 -12.583 1.00 52.14 N ATOM 0 H HIS A 57 -12.629 -17.392 -11.401 1.00 25.12 H new ATOM 0 HA HIS A 57 -12.634 -17.291 -8.440 1.00 42.42 H new ATOM 0 HB2 HIS A 57 -10.293 -16.602 -8.545 1.00 24.12 H new ATOM 0 HB3 HIS A 57 -10.484 -18.133 -9.375 1.00 24.12 H new ATOM 0 HD1 HIS A 57 -10.001 -14.426 -10.099 1.00 71.32 H new ATOM 0 HD2 HIS A 57 -9.679 -18.129 -12.029 1.00 74.41 H new ATOM 0 HE1 HIS A 57 -8.882 -13.974 -12.332 1.00 41.01 H new ATOM 939 N ILE A 58 -13.650 -15.070 -10.232 1.00 33.14 N ATOM 940 CA ILE A 58 -14.053 -13.664 -10.407 1.00 63.51 C ATOM 941 C ILE A 58 -14.596 -13.052 -9.098 1.00 3.14 C ATOM 942 O ILE A 58 -14.531 -11.841 -8.895 1.00 61.11 O ATOM 943 CB ILE A 58 -15.118 -13.508 -11.530 1.00 50.03 C ATOM 944 CG1 ILE A 58 -15.292 -12.028 -11.921 1.00 41.24 C ATOM 945 CG2 ILE A 58 -16.459 -14.101 -11.097 1.00 11.51 C ATOM 946 CD1 ILE A 58 -14.060 -11.410 -12.550 1.00 64.13 C ATOM 0 H ILE A 58 -14.222 -15.740 -10.746 1.00 33.14 H new ATOM 0 HA ILE A 58 -13.152 -13.123 -10.696 1.00 63.51 H new ATOM 0 HB ILE A 58 -14.763 -14.057 -12.403 1.00 50.03 H new ATOM 0 HG12 ILE A 58 -16.126 -11.942 -12.618 1.00 41.24 H new ATOM 0 HG13 ILE A 58 -15.560 -11.457 -11.032 1.00 41.24 H new ATOM 0 HG21 ILE A 58 -17.187 -13.979 -11.899 1.00 11.51 H new ATOM 0 HG22 ILE A 58 -16.334 -15.161 -10.878 1.00 11.51 H new ATOM 0 HG23 ILE A 58 -16.814 -13.585 -10.204 1.00 11.51 H new ATOM 0 HD11 ILE A 58 -14.262 -10.368 -12.797 1.00 64.13 H new ATOM 0 HD12 ILE A 58 -13.228 -11.462 -11.848 1.00 64.13 H new ATOM 0 HD13 ILE A 58 -13.803 -11.955 -13.458 1.00 64.13 H new ATOM 958 N ASN A 59 -15.122 -13.894 -8.210 1.00 54.45 N ATOM 959 CA ASN A 59 -15.656 -13.426 -6.925 1.00 30.23 C ATOM 960 C ASN A 59 -14.529 -13.215 -5.903 1.00 32.32 C ATOM 961 O ASN A 59 -14.467 -12.190 -5.228 1.00 13.20 O ATOM 962 CB ASN A 59 -16.673 -14.432 -6.372 1.00 51.22 C ATOM 963 CG ASN A 59 -17.820 -14.690 -7.332 1.00 60.52 C ATOM 964 OD1 ASN A 59 -18.838 -14.008 -7.303 1.00 3.41 O ATOM 965 ND2 ASN A 59 -17.667 -15.685 -8.183 1.00 10.54 N ATOM 0 H ASN A 59 -15.191 -14.902 -8.353 1.00 54.45 H new ATOM 0 HA ASN A 59 -16.152 -12.471 -7.097 1.00 30.23 H new ATOM 0 HB2 ASN A 59 -16.167 -15.373 -6.155 1.00 51.22 H new ATOM 0 HB3 ASN A 59 -17.071 -14.059 -5.428 1.00 51.22 H new ATOM 0 HD21 ASN A 59 -18.410 -15.908 -8.846 1.00 10.54 H new ATOM 0 HD22 ASN A 59 -16.806 -16.232 -8.179 1.00 10.54 H new ATOM 972 N GLU A 60 -13.629 -14.190 -5.814 1.00 1.13 N ATOM 973 CA GLU A 60 -12.528 -14.149 -4.841 1.00 11.55 C ATOM 974 C GLU A 60 -11.627 -12.916 -5.038 1.00 33.40 C ATOM 975 O GLU A 60 -11.166 -12.311 -4.068 1.00 53.01 O ATOM 976 CB GLU A 60 -11.692 -15.431 -4.939 1.00 33.33 C ATOM 977 CG GLU A 60 -12.512 -16.714 -4.824 1.00 72.24 C ATOM 978 CD GLU A 60 -13.339 -16.781 -3.546 1.00 40.43 C ATOM 979 OE1 GLU A 60 -12.812 -17.237 -2.510 1.00 25.13 O ATOM 980 OE2 GLU A 60 -14.523 -16.379 -3.573 1.00 43.11 O ATOM 0 H GLU A 60 -13.636 -15.023 -6.403 1.00 1.13 H new ATOM 0 HA GLU A 60 -12.971 -14.076 -3.848 1.00 11.55 H new ATOM 0 HB2 GLU A 60 -11.161 -15.435 -5.891 1.00 33.33 H new ATOM 0 HB3 GLU A 60 -10.937 -15.422 -4.153 1.00 33.33 H new ATOM 0 HG2 GLU A 60 -13.177 -16.792 -5.684 1.00 72.24 H new ATOM 0 HG3 GLU A 60 -11.841 -17.572 -4.861 1.00 72.24 H new ATOM 987 N ILE A 61 -11.381 -12.546 -6.295 1.00 31.24 N ATOM 988 CA ILE A 61 -10.536 -11.384 -6.603 1.00 21.40 C ATOM 989 C ILE A 61 -11.164 -10.073 -6.089 1.00 61.30 C ATOM 990 O ILE A 61 -10.452 -9.143 -5.709 1.00 42.15 O ATOM 991 CB ILE A 61 -10.238 -11.284 -8.125 1.00 21.42 C ATOM 992 CG1 ILE A 61 -9.237 -10.149 -8.413 1.00 31.54 C ATOM 993 CG2 ILE A 61 -11.525 -11.094 -8.921 1.00 20.20 C ATOM 994 CD1 ILE A 61 -8.782 -10.087 -9.857 1.00 40.15 C ATOM 0 H ILE A 61 -11.751 -13.028 -7.114 1.00 31.24 H new ATOM 0 HA ILE A 61 -9.591 -11.532 -6.081 1.00 21.40 H new ATOM 0 HB ILE A 61 -9.784 -12.222 -8.443 1.00 21.42 H new ATOM 0 HG12 ILE A 61 -9.695 -9.197 -8.145 1.00 31.54 H new ATOM 0 HG13 ILE A 61 -8.365 -10.275 -7.772 1.00 31.54 H new ATOM 0 HG21 ILE A 61 -11.289 -11.027 -9.983 1.00 20.20 H new ATOM 0 HG22 ILE A 61 -12.188 -11.942 -8.749 1.00 20.20 H new ATOM 0 HG23 ILE A 61 -12.019 -10.177 -8.600 1.00 20.20 H new ATOM 0 HD11 ILE A 61 -8.079 -9.263 -9.982 1.00 40.15 H new ATOM 0 HD12 ILE A 61 -8.294 -11.024 -10.125 1.00 40.15 H new ATOM 0 HD13 ILE A 61 -9.645 -9.929 -10.504 1.00 40.15 H new ATOM 1006 N ARG A 62 -12.497 -10.024 -6.040 1.00 3.23 N ATOM 1007 CA ARG A 62 -13.218 -8.860 -5.504 1.00 22.42 C ATOM 1008 C ARG A 62 -12.878 -8.631 -4.017 1.00 30.02 C ATOM 1009 O ARG A 62 -13.023 -7.523 -3.495 1.00 34.13 O ATOM 1010 CB ARG A 62 -14.733 -9.053 -5.680 1.00 63.24 C ATOM 1011 CG ARG A 62 -15.157 -9.262 -7.133 1.00 60.12 C ATOM 1012 CD ARG A 62 -16.645 -9.588 -7.264 1.00 62.23 C ATOM 1013 NE ARG A 62 -17.511 -8.510 -6.774 1.00 21.42 N ATOM 1014 CZ ARG A 62 -18.798 -8.434 -7.005 1.00 2.32 C ATOM 1015 NH1 ARG A 62 -19.392 -9.299 -7.764 1.00 1.11 N ATOM 1016 NH2 ARG A 62 -19.493 -7.471 -6.493 1.00 50.11 N ATOM 0 H ARG A 62 -13.103 -10.777 -6.365 1.00 3.23 H new ATOM 0 HA ARG A 62 -12.903 -7.978 -6.061 1.00 22.42 H new ATOM 0 HB2 ARG A 62 -15.053 -9.912 -5.090 1.00 63.24 H new ATOM 0 HB3 ARG A 62 -15.251 -8.181 -5.281 1.00 63.24 H new ATOM 0 HG2 ARG A 62 -14.933 -8.363 -7.707 1.00 60.12 H new ATOM 0 HG3 ARG A 62 -14.571 -10.072 -7.567 1.00 60.12 H new ATOM 0 HD2 ARG A 62 -16.877 -9.787 -8.310 1.00 62.23 H new ATOM 0 HD3 ARG A 62 -16.862 -10.501 -6.710 1.00 62.23 H new ATOM 0 HE ARG A 62 -17.083 -7.771 -6.217 1.00 21.42 H new ATOM 0 HH11 ARG A 62 -18.857 -10.054 -8.192 1.00 1.11 H new ATOM 0 HH12 ARG A 62 -20.395 -9.225 -7.933 1.00 1.11 H new ATOM 0 HH21 ARG A 62 -19.039 -6.769 -5.908 1.00 50.11 H new ATOM 0 HH22 ARG A 62 -20.495 -7.413 -6.674 1.00 50.11 H new ATOM 1030 N THR A 63 -12.430 -9.693 -3.344 1.00 51.20 N ATOM 1031 CA THR A 63 -11.996 -9.606 -1.941 1.00 62.34 C ATOM 1032 C THR A 63 -10.532 -9.161 -1.835 1.00 43.03 C ATOM 1033 O THR A 63 -10.197 -8.259 -1.065 1.00 20.43 O ATOM 1034 CB THR A 63 -12.151 -10.966 -1.214 1.00 52.00 C ATOM 1035 OG1 THR A 63 -13.516 -11.401 -1.272 1.00 55.14 O ATOM 1036 CG2 THR A 63 -11.710 -10.877 0.247 1.00 23.12 C ATOM 0 H THR A 63 -12.357 -10.628 -3.746 1.00 51.20 H new ATOM 0 HA THR A 63 -12.638 -8.865 -1.465 1.00 62.34 H new ATOM 0 HB THR A 63 -11.509 -11.686 -1.722 1.00 52.00 H new ATOM 0 HG1 THR A 63 -13.605 -12.262 -0.812 1.00 55.14 H new ATOM 0 HG21 THR A 63 -11.833 -11.849 0.724 1.00 23.12 H new ATOM 0 HG22 THR A 63 -10.662 -10.580 0.293 1.00 23.12 H new ATOM 0 HG23 THR A 63 -12.320 -10.138 0.767 1.00 23.12 H new ATOM 1044 N ALA A 64 -9.658 -9.802 -2.615 1.00 13.35 N ATOM 1045 CA ALA A 64 -8.226 -9.468 -2.618 1.00 44.31 C ATOM 1046 C ALA A 64 -7.989 -7.996 -2.994 1.00 53.41 C ATOM 1047 O ALA A 64 -7.184 -7.308 -2.365 1.00 54.04 O ATOM 1048 CB ALA A 64 -7.472 -10.392 -3.569 1.00 52.35 C ATOM 0 H ALA A 64 -9.914 -10.555 -3.253 1.00 13.35 H new ATOM 0 HA ALA A 64 -7.846 -9.613 -1.607 1.00 44.31 H new ATOM 0 HB1 ALA A 64 -6.413 -10.135 -3.563 1.00 52.35 H new ATOM 0 HB2 ALA A 64 -7.596 -11.426 -3.247 1.00 52.35 H new ATOM 0 HB3 ALA A 64 -7.867 -10.276 -4.578 1.00 52.35 H new ATOM 1054 N VAL A 65 -8.703 -7.523 -4.018 1.00 33.43 N ATOM 1055 CA VAL A 65 -8.655 -6.112 -4.425 1.00 24.44 C ATOM 1056 C VAL A 65 -8.934 -5.174 -3.238 1.00 34.14 C ATOM 1057 O VAL A 65 -8.274 -4.145 -3.069 1.00 15.24 O ATOM 1058 CB VAL A 65 -9.672 -5.841 -5.567 1.00 55.12 C ATOM 1059 CG1 VAL A 65 -9.839 -4.345 -5.833 1.00 63.45 C ATOM 1060 CG2 VAL A 65 -9.237 -6.566 -6.839 1.00 1.42 C ATOM 0 H VAL A 65 -9.326 -8.098 -4.585 1.00 33.43 H new ATOM 0 HA VAL A 65 -7.648 -5.908 -4.788 1.00 24.44 H new ATOM 0 HB VAL A 65 -10.641 -6.226 -5.250 1.00 55.12 H new ATOM 0 HG11 VAL A 65 -10.558 -4.197 -6.638 1.00 63.45 H new ATOM 0 HG12 VAL A 65 -10.199 -3.853 -4.930 1.00 63.45 H new ATOM 0 HG13 VAL A 65 -8.879 -3.917 -6.121 1.00 63.45 H new ATOM 0 HG21 VAL A 65 -9.957 -6.370 -7.634 1.00 1.42 H new ATOM 0 HG22 VAL A 65 -8.253 -6.208 -7.143 1.00 1.42 H new ATOM 0 HG23 VAL A 65 -9.190 -7.638 -6.649 1.00 1.42 H new ATOM 1070 N ASP A 66 -9.908 -5.545 -2.413 1.00 54.44 N ATOM 1071 CA ASP A 66 -10.222 -4.793 -1.197 1.00 65.50 C ATOM 1072 C ASP A 66 -9.067 -4.871 -0.180 1.00 41.22 C ATOM 1073 O ASP A 66 -8.731 -3.877 0.467 1.00 54.02 O ATOM 1074 CB ASP A 66 -11.520 -5.327 -0.580 1.00 52.12 C ATOM 1075 CG ASP A 66 -11.826 -4.701 0.770 1.00 71.34 C ATOM 1076 OD1 ASP A 66 -12.189 -3.508 0.811 1.00 15.44 O ATOM 1077 OD2 ASP A 66 -11.714 -5.404 1.797 1.00 33.14 O ATOM 0 H ASP A 66 -10.497 -6.364 -2.563 1.00 54.44 H new ATOM 0 HA ASP A 66 -10.357 -3.745 -1.463 1.00 65.50 H new ATOM 0 HB2 ASP A 66 -12.348 -5.134 -1.262 1.00 52.12 H new ATOM 0 HB3 ASP A 66 -11.446 -6.409 -0.466 1.00 52.12 H new ATOM 1082 N LYS A 67 -8.459 -6.053 -0.052 1.00 43.21 N ATOM 1083 CA LYS A 67 -7.343 -6.257 0.885 1.00 72.43 C ATOM 1084 C LYS A 67 -6.112 -5.411 0.527 1.00 3.52 C ATOM 1085 O LYS A 67 -5.416 -4.918 1.417 1.00 41.32 O ATOM 1086 CB LYS A 67 -6.957 -7.739 0.965 1.00 1.11 C ATOM 1087 CG LYS A 67 -7.985 -8.587 1.701 1.00 40.32 C ATOM 1088 CD LYS A 67 -7.474 -10.000 1.958 1.00 32.13 C ATOM 1089 CE LYS A 67 -8.406 -10.773 2.880 1.00 33.21 C ATOM 1090 NZ LYS A 67 -8.451 -10.191 4.247 1.00 43.02 N ATOM 0 H LYS A 67 -8.718 -6.884 -0.583 1.00 43.21 H new ATOM 0 HA LYS A 67 -7.695 -5.926 1.862 1.00 72.43 H new ATOM 0 HB2 LYS A 67 -6.829 -8.130 -0.045 1.00 1.11 H new ATOM 0 HB3 LYS A 67 -5.994 -7.830 1.467 1.00 1.11 H new ATOM 0 HG2 LYS A 67 -8.235 -8.113 2.650 1.00 40.32 H new ATOM 0 HG3 LYS A 67 -8.904 -8.633 1.116 1.00 40.32 H new ATOM 0 HD2 LYS A 67 -7.376 -10.530 1.011 1.00 32.13 H new ATOM 0 HD3 LYS A 67 -6.479 -9.953 2.401 1.00 32.13 H new ATOM 0 HE2 LYS A 67 -9.410 -10.780 2.456 1.00 33.21 H new ATOM 0 HE3 LYS A 67 -8.078 -11.811 2.939 1.00 33.21 H new ATOM 0 HZ1 LYS A 67 -8.852 -10.887 4.908 1.00 43.02 H new ATOM 0 HZ2 LYS A 67 -7.488 -9.941 4.550 1.00 43.02 H new ATOM 0 HZ3 LYS A 67 -9.045 -9.337 4.241 1.00 43.02 H new ATOM 1104 N VAL A 68 -5.843 -5.246 -0.766 1.00 51.44 N ATOM 1105 CA VAL A 68 -4.748 -4.378 -1.215 1.00 64.43 C ATOM 1106 C VAL A 68 -4.912 -2.965 -0.631 1.00 31.24 C ATOM 1107 O VAL A 68 -4.001 -2.427 -0.002 1.00 42.30 O ATOM 1108 CB VAL A 68 -4.682 -4.299 -2.762 1.00 3.41 C ATOM 1109 CG1 VAL A 68 -3.561 -3.362 -3.218 1.00 50.25 C ATOM 1110 CG2 VAL A 68 -4.502 -5.695 -3.365 1.00 35.32 C ATOM 0 H VAL A 68 -6.362 -5.697 -1.520 1.00 51.44 H new ATOM 0 HA VAL A 68 -3.816 -4.814 -0.856 1.00 64.43 H new ATOM 0 HB VAL A 68 -5.626 -3.889 -3.120 1.00 3.41 H new ATOM 0 HG11 VAL A 68 -3.538 -3.326 -4.307 1.00 50.25 H new ATOM 0 HG12 VAL A 68 -3.741 -2.361 -2.825 1.00 50.25 H new ATOM 0 HG13 VAL A 68 -2.605 -3.731 -2.847 1.00 50.25 H new ATOM 0 HG21 VAL A 68 -4.458 -5.619 -4.451 1.00 35.32 H new ATOM 0 HG22 VAL A 68 -3.576 -6.135 -2.994 1.00 35.32 H new ATOM 0 HG23 VAL A 68 -5.344 -6.326 -3.079 1.00 35.32 H new ATOM 1120 N GLU A 69 -6.098 -2.389 -0.821 1.00 70.14 N ATOM 1121 CA GLU A 69 -6.432 -1.077 -0.254 1.00 73.43 C ATOM 1122 C GLU A 69 -6.519 -1.120 1.282 1.00 3.33 C ATOM 1123 O GLU A 69 -6.216 -0.137 1.956 1.00 45.02 O ATOM 1124 CB GLU A 69 -7.759 -0.580 -0.842 1.00 54.10 C ATOM 1125 CG GLU A 69 -7.654 -0.133 -2.295 1.00 3.20 C ATOM 1126 CD GLU A 69 -6.882 1.170 -2.446 1.00 2.35 C ATOM 1127 OE1 GLU A 69 -5.636 1.137 -2.535 1.00 4.42 O ATOM 1128 OE2 GLU A 69 -7.523 2.240 -2.443 1.00 3.13 O ATOM 0 H GLU A 69 -6.850 -2.811 -1.366 1.00 70.14 H new ATOM 0 HA GLU A 69 -5.631 -0.387 -0.518 1.00 73.43 H new ATOM 0 HB2 GLU A 69 -8.500 -1.376 -0.768 1.00 54.10 H new ATOM 0 HB3 GLU A 69 -8.124 0.252 -0.240 1.00 54.10 H new ATOM 0 HG2 GLU A 69 -7.163 -0.913 -2.878 1.00 3.20 H new ATOM 0 HG3 GLU A 69 -8.655 -0.009 -2.708 1.00 3.20 H new ATOM 1135 N LEU A 70 -6.940 -2.264 1.822 1.00 64.22 N ATOM 1136 CA LEU A 70 -7.053 -2.462 3.277 1.00 15.32 C ATOM 1137 C LEU A 70 -5.697 -2.282 3.986 1.00 50.13 C ATOM 1138 O LEU A 70 -5.531 -1.380 4.812 1.00 52.40 O ATOM 1139 CB LEU A 70 -7.621 -3.864 3.559 1.00 24.41 C ATOM 1140 CG LEU A 70 -7.549 -4.355 5.018 1.00 31.53 C ATOM 1141 CD1 LEU A 70 -8.290 -3.407 5.963 1.00 64.43 C ATOM 1142 CD2 LEU A 70 -8.099 -5.782 5.122 1.00 72.44 C ATOM 0 H LEU A 70 -7.212 -3.078 1.271 1.00 64.22 H new ATOM 0 HA LEU A 70 -7.728 -1.704 3.673 1.00 15.32 H new ATOM 0 HB2 LEU A 70 -8.665 -3.878 3.245 1.00 24.41 H new ATOM 0 HB3 LEU A 70 -7.090 -4.580 2.932 1.00 24.41 H new ATOM 0 HG LEU A 70 -6.503 -4.364 5.325 1.00 31.53 H new ATOM 0 HD11 LEU A 70 -8.220 -3.783 6.984 1.00 64.43 H new ATOM 0 HD12 LEU A 70 -7.841 -2.415 5.909 1.00 64.43 H new ATOM 0 HD13 LEU A 70 -9.338 -3.347 5.670 1.00 64.43 H new ATOM 0 HD21 LEU A 70 -8.043 -6.119 6.157 1.00 72.44 H new ATOM 0 HD22 LEU A 70 -9.137 -5.797 4.791 1.00 72.44 H new ATOM 0 HD23 LEU A 70 -7.508 -6.447 4.492 1.00 72.44 H new ATOM 1154 N PHE A 71 -4.729 -3.130 3.650 1.00 21.30 N ATOM 1155 CA PHE A 71 -3.405 -3.075 4.277 1.00 42.11 C ATOM 1156 C PHE A 71 -2.655 -1.791 3.893 1.00 34.11 C ATOM 1157 O PHE A 71 -1.913 -1.233 4.702 1.00 3.40 O ATOM 1158 CB PHE A 71 -2.585 -4.315 3.902 1.00 4.14 C ATOM 1159 CG PHE A 71 -3.187 -5.606 4.404 1.00 11.25 C ATOM 1160 CD1 PHE A 71 -3.040 -5.986 5.731 1.00 12.01 C ATOM 1161 CD2 PHE A 71 -3.895 -6.440 3.551 1.00 44.25 C ATOM 1162 CE1 PHE A 71 -3.588 -7.170 6.193 1.00 71.12 C ATOM 1163 CE2 PHE A 71 -4.446 -7.622 4.009 1.00 11.43 C ATOM 1164 CZ PHE A 71 -4.291 -7.987 5.330 1.00 30.01 C ATOM 0 H PHE A 71 -4.833 -3.863 2.949 1.00 21.30 H new ATOM 0 HA PHE A 71 -3.546 -3.063 5.358 1.00 42.11 H new ATOM 0 HB2 PHE A 71 -2.490 -4.364 2.817 1.00 4.14 H new ATOM 0 HB3 PHE A 71 -1.578 -4.211 4.306 1.00 4.14 H new ATOM 0 HD1 PHE A 71 -2.492 -5.350 6.411 1.00 12.01 H new ATOM 0 HD2 PHE A 71 -4.017 -6.162 2.515 1.00 44.25 H new ATOM 0 HE1 PHE A 71 -3.466 -7.455 7.228 1.00 71.12 H new ATOM 0 HE2 PHE A 71 -4.997 -8.259 3.333 1.00 11.43 H new ATOM 0 HZ PHE A 71 -4.719 -8.911 5.689 1.00 30.01 H new ATOM 1174 N LEU A 72 -2.861 -1.318 2.665 1.00 73.31 N ATOM 1175 CA LEU A 72 -2.275 -0.050 2.220 1.00 52.15 C ATOM 1176 C LEU A 72 -2.835 1.128 3.034 1.00 65.44 C ATOM 1177 O LEU A 72 -2.111 2.066 3.369 1.00 2.54 O ATOM 1178 CB LEU A 72 -2.542 0.157 0.724 1.00 1.33 C ATOM 1179 CG LEU A 72 -1.959 1.443 0.116 1.00 74.32 C ATOM 1180 CD1 LEU A 72 -0.457 1.538 0.378 1.00 63.41 C ATOM 1181 CD2 LEU A 72 -2.252 1.508 -1.382 1.00 2.14 C ATOM 0 H LEU A 72 -3.427 -1.791 1.960 1.00 73.31 H new ATOM 0 HA LEU A 72 -1.198 -0.092 2.384 1.00 52.15 H new ATOM 0 HB2 LEU A 72 -2.138 -0.696 0.180 1.00 1.33 H new ATOM 0 HB3 LEU A 72 -3.620 0.156 0.562 1.00 1.33 H new ATOM 0 HG LEU A 72 -2.439 2.295 0.597 1.00 74.32 H new ATOM 0 HD11 LEU A 72 -0.068 2.456 -0.062 1.00 63.41 H new ATOM 0 HD12 LEU A 72 -0.275 1.545 1.453 1.00 63.41 H new ATOM 0 HD13 LEU A 72 0.045 0.680 -0.069 1.00 63.41 H new ATOM 0 HD21 LEU A 72 -1.832 2.425 -1.795 1.00 2.14 H new ATOM 0 HD22 LEU A 72 -1.803 0.647 -1.878 1.00 2.14 H new ATOM 0 HD23 LEU A 72 -3.330 1.498 -1.543 1.00 2.14 H new ATOM 1193 N LYS A 73 -4.127 1.065 3.351 1.00 43.13 N ATOM 1194 CA LYS A 73 -4.781 2.075 4.197 1.00 52.44 C ATOM 1195 C LYS A 73 -4.067 2.194 5.551 1.00 34.12 C ATOM 1196 O LYS A 73 -3.669 3.285 5.972 1.00 62.24 O ATOM 1197 CB LYS A 73 -6.247 1.687 4.432 1.00 32.42 C ATOM 1198 CG LYS A 73 -7.072 2.734 5.178 1.00 54.11 C ATOM 1199 CD LYS A 73 -8.354 2.134 5.760 1.00 61.13 C ATOM 1200 CE LYS A 73 -9.170 1.366 4.719 1.00 53.41 C ATOM 1201 NZ LYS A 73 -9.687 2.248 3.640 1.00 54.34 N ATOM 0 H LYS A 73 -4.750 0.322 3.035 1.00 43.13 H new ATOM 0 HA LYS A 73 -4.730 3.036 3.684 1.00 52.44 H new ATOM 0 HB2 LYS A 73 -6.717 1.494 3.468 1.00 32.42 H new ATOM 0 HB3 LYS A 73 -6.276 0.753 4.994 1.00 32.42 H new ATOM 0 HG2 LYS A 73 -6.474 3.164 5.981 1.00 54.11 H new ATOM 0 HG3 LYS A 73 -7.327 3.548 4.499 1.00 54.11 H new ATOM 0 HD2 LYS A 73 -8.097 1.464 6.581 1.00 61.13 H new ATOM 0 HD3 LYS A 73 -8.966 2.932 6.179 1.00 61.13 H new ATOM 0 HE2 LYS A 73 -8.550 0.585 4.280 1.00 53.41 H new ATOM 0 HE3 LYS A 73 -10.007 0.870 5.211 1.00 53.41 H new ATOM 0 HZ1 LYS A 73 -10.233 1.681 2.960 1.00 54.34 H new ATOM 0 HZ2 LYS A 73 -10.301 2.979 4.053 1.00 54.34 H new ATOM 0 HZ3 LYS A 73 -8.889 2.702 3.151 1.00 54.34 H new ATOM 1215 N GLU A 74 -3.914 1.053 6.222 1.00 1.33 N ATOM 1216 CA GLU A 74 -3.249 1.000 7.526 1.00 61.42 C ATOM 1217 C GLU A 74 -1.771 1.416 7.417 1.00 34.42 C ATOM 1218 O GLU A 74 -1.250 2.148 8.265 1.00 53.44 O ATOM 1219 CB GLU A 74 -3.352 -0.417 8.114 1.00 35.13 C ATOM 1220 CG GLU A 74 -4.769 -0.995 8.112 1.00 53.41 C ATOM 1221 CD GLU A 74 -4.921 -2.179 9.057 1.00 51.12 C ATOM 1222 OE1 GLU A 74 -5.089 -1.949 10.277 1.00 34.34 O ATOM 1223 OE2 GLU A 74 -4.878 -3.340 8.596 1.00 52.02 O ATOM 0 H GLU A 74 -4.243 0.149 5.883 1.00 1.33 H new ATOM 0 HA GLU A 74 -3.752 1.704 8.189 1.00 61.42 H new ATOM 0 HB2 GLU A 74 -2.700 -1.082 7.548 1.00 35.13 H new ATOM 0 HB3 GLU A 74 -2.979 -0.401 9.138 1.00 35.13 H new ATOM 0 HG2 GLU A 74 -5.476 -0.215 8.396 1.00 53.41 H new ATOM 0 HG3 GLU A 74 -5.029 -1.307 7.100 1.00 53.41 H new ATOM 1230 N TYR A 75 -1.110 0.946 6.359 1.00 75.11 N ATOM 1231 CA TYR A 75 0.305 1.246 6.107 1.00 23.13 C ATOM 1232 C TYR A 75 0.545 2.762 5.951 1.00 14.25 C ATOM 1233 O TYR A 75 1.422 3.336 6.604 1.00 30.11 O ATOM 1234 CB TYR A 75 0.766 0.500 4.842 1.00 12.34 C ATOM 1235 CG TYR A 75 2.263 0.557 4.586 1.00 2.05 C ATOM 1236 CD1 TYR A 75 3.123 -0.332 5.218 1.00 54.01 C ATOM 1237 CD2 TYR A 75 2.811 1.485 3.705 1.00 12.11 C ATOM 1238 CE1 TYR A 75 4.483 -0.298 4.984 1.00 70.22 C ATOM 1239 CE2 TYR A 75 4.172 1.522 3.462 1.00 15.23 C ATOM 1240 CZ TYR A 75 5.003 0.628 4.106 1.00 32.40 C ATOM 1241 OH TYR A 75 6.355 0.652 3.864 1.00 35.43 O ATOM 0 H TYR A 75 -1.537 0.347 5.652 1.00 75.11 H new ATOM 0 HA TYR A 75 0.886 0.910 6.966 1.00 23.13 H new ATOM 0 HB2 TYR A 75 0.463 -0.544 4.921 1.00 12.34 H new ATOM 0 HB3 TYR A 75 0.247 0.918 3.980 1.00 12.34 H new ATOM 0 HD1 TYR A 75 2.721 -1.062 5.904 1.00 54.01 H new ATOM 0 HD2 TYR A 75 2.163 2.188 3.203 1.00 12.11 H new ATOM 0 HE1 TYR A 75 5.137 -0.995 5.487 1.00 70.22 H new ATOM 0 HE2 TYR A 75 4.582 2.246 2.773 1.00 15.23 H new ATOM 0 HH TYR A 75 6.702 -0.264 3.855 1.00 35.43 H new ATOM 1251 N LEU A 76 -0.254 3.402 5.096 1.00 21.34 N ATOM 1252 CA LEU A 76 -0.126 4.843 4.843 1.00 42.35 C ATOM 1253 C LEU A 76 -0.327 5.673 6.121 1.00 74.53 C ATOM 1254 O LEU A 76 0.449 6.583 6.400 1.00 4.22 O ATOM 1255 CB LEU A 76 -1.119 5.296 3.762 1.00 42.41 C ATOM 1256 CG LEU A 76 -0.835 4.773 2.343 1.00 53.20 C ATOM 1257 CD1 LEU A 76 -1.924 5.228 1.376 1.00 14.14 C ATOM 1258 CD2 LEU A 76 0.541 5.234 1.862 1.00 4.10 C ATOM 0 H LEU A 76 -0.997 2.948 4.566 1.00 21.34 H new ATOM 0 HA LEU A 76 0.891 5.015 4.490 1.00 42.35 H new ATOM 0 HB2 LEU A 76 -2.119 4.977 4.055 1.00 42.41 H new ATOM 0 HB3 LEU A 76 -1.127 6.386 3.734 1.00 42.41 H new ATOM 0 HG LEU A 76 -0.837 3.683 2.373 1.00 53.20 H new ATOM 0 HD11 LEU A 76 -1.706 4.849 0.378 1.00 14.14 H new ATOM 0 HD12 LEU A 76 -2.889 4.844 1.708 1.00 14.14 H new ATOM 0 HD13 LEU A 76 -1.956 6.317 1.351 1.00 14.14 H new ATOM 0 HD21 LEU A 76 0.721 4.853 0.857 1.00 4.10 H new ATOM 0 HD22 LEU A 76 0.576 6.323 1.849 1.00 4.10 H new ATOM 0 HD23 LEU A 76 1.308 4.855 2.537 1.00 4.10 H new ATOM 1270 N HIS A 77 -1.363 5.352 6.897 1.00 12.43 N ATOM 1271 CA HIS A 77 -1.649 6.084 8.144 1.00 34.21 C ATOM 1272 C HIS A 77 -0.438 6.092 9.093 1.00 54.30 C ATOM 1273 O HIS A 77 -0.181 7.082 9.779 1.00 32.34 O ATOM 1274 CB HIS A 77 -2.869 5.480 8.853 1.00 43.23 C ATOM 1275 CG HIS A 77 -3.177 6.118 10.177 1.00 70.11 C ATOM 1276 ND1 HIS A 77 -2.981 5.479 11.385 1.00 72.43 N ATOM 1277 CD2 HIS A 77 -3.670 7.344 10.485 1.00 43.34 C ATOM 1278 CE1 HIS A 77 -3.338 6.278 12.370 1.00 41.32 C ATOM 1279 NE2 HIS A 77 -3.759 7.412 11.852 1.00 60.24 N ATOM 0 H HIS A 77 -2.017 4.597 6.691 1.00 12.43 H new ATOM 0 HA HIS A 77 -1.866 7.117 7.872 1.00 34.21 H new ATOM 0 HB2 HIS A 77 -3.739 5.575 8.203 1.00 43.23 H new ATOM 0 HB3 HIS A 77 -2.699 4.414 9.005 1.00 43.23 H new ATOM 0 HD2 HIS A 77 -3.941 8.121 9.785 1.00 43.34 H new ATOM 0 HE1 HIS A 77 -3.293 6.042 13.423 1.00 41.32 H new ATOM 0 HE2 HIS A 77 -4.098 8.214 12.383 1.00 60.24 H new ATOM 1288 N PHE A 78 0.307 4.989 9.124 1.00 53.15 N ATOM 1289 CA PHE A 78 1.468 4.871 10.010 1.00 54.25 C ATOM 1290 C PHE A 78 2.675 5.655 9.466 1.00 44.10 C ATOM 1291 O PHE A 78 3.271 6.468 10.175 1.00 64.15 O ATOM 1292 CB PHE A 78 1.844 3.397 10.201 1.00 52.55 C ATOM 1293 CG PHE A 78 2.850 3.160 11.304 1.00 23.12 C ATOM 1294 CD1 PHE A 78 2.429 3.027 12.620 1.00 73.20 C ATOM 1295 CD2 PHE A 78 4.209 3.070 11.029 1.00 11.22 C ATOM 1296 CE1 PHE A 78 3.338 2.810 13.636 1.00 64.23 C ATOM 1297 CE2 PHE A 78 5.123 2.853 12.045 1.00 33.11 C ATOM 1298 CZ PHE A 78 4.686 2.723 13.350 1.00 24.32 C ATOM 0 H PHE A 78 0.130 4.166 8.549 1.00 53.15 H new ATOM 0 HA PHE A 78 1.194 5.300 10.974 1.00 54.25 H new ATOM 0 HB2 PHE A 78 0.941 2.827 10.418 1.00 52.55 H new ATOM 0 HB3 PHE A 78 2.248 3.011 9.265 1.00 52.55 H new ATOM 0 HD1 PHE A 78 1.376 3.094 12.852 1.00 73.20 H new ATOM 0 HD2 PHE A 78 4.556 3.171 10.011 1.00 11.22 H new ATOM 0 HE1 PHE A 78 2.995 2.708 14.655 1.00 64.23 H new ATOM 0 HE2 PHE A 78 6.177 2.785 11.819 1.00 33.11 H new ATOM 0 HZ PHE A 78 5.398 2.554 14.144 1.00 24.32 H new ATOM 1308 N VAL A 79 3.029 5.408 8.203 1.00 61.05 N ATOM 1309 CA VAL A 79 4.181 6.080 7.586 1.00 63.31 C ATOM 1310 C VAL A 79 3.994 7.608 7.540 1.00 31.02 C ATOM 1311 O VAL A 79 4.937 8.361 7.777 1.00 13.33 O ATOM 1312 CB VAL A 79 4.473 5.548 6.156 1.00 70.11 C ATOM 1313 CG1 VAL A 79 4.811 4.060 6.190 1.00 1.24 C ATOM 1314 CG2 VAL A 79 3.301 5.816 5.215 1.00 72.44 C ATOM 0 H VAL A 79 2.542 4.754 7.590 1.00 61.05 H new ATOM 0 HA VAL A 79 5.038 5.850 8.220 1.00 63.31 H new ATOM 0 HB VAL A 79 5.339 6.087 5.771 1.00 70.11 H new ATOM 0 HG11 VAL A 79 5.012 3.709 5.178 1.00 1.24 H new ATOM 0 HG12 VAL A 79 5.693 3.901 6.811 1.00 1.24 H new ATOM 0 HG13 VAL A 79 3.970 3.505 6.606 1.00 1.24 H new ATOM 0 HG21 VAL A 79 3.536 5.432 4.222 1.00 72.44 H new ATOM 0 HG22 VAL A 79 2.409 5.318 5.594 1.00 72.44 H new ATOM 0 HG23 VAL A 79 3.120 6.889 5.155 1.00 72.44 H new ATOM 1324 N LYS A 80 2.771 8.063 7.254 1.00 62.11 N ATOM 1325 CA LYS A 80 2.472 9.500 7.232 1.00 25.44 C ATOM 1326 C LYS A 80 2.550 10.101 8.641 1.00 31.10 C ATOM 1327 O LYS A 80 2.999 11.236 8.816 1.00 2.42 O ATOM 1328 CB LYS A 80 1.089 9.760 6.618 1.00 31.31 C ATOM 1329 CG LYS A 80 0.981 9.328 5.158 1.00 24.10 C ATOM 1330 CD LYS A 80 -0.378 9.679 4.559 1.00 0.34 C ATOM 1331 CE LYS A 80 -0.490 9.208 3.114 1.00 5.40 C ATOM 1332 NZ LYS A 80 -1.743 9.680 2.476 1.00 4.14 N ATOM 0 H LYS A 80 1.976 7.463 7.036 1.00 62.11 H new ATOM 0 HA LYS A 80 3.224 9.986 6.611 1.00 25.44 H new ATOM 0 HB2 LYS A 80 0.336 9.231 7.202 1.00 31.31 H new ATOM 0 HB3 LYS A 80 0.861 10.823 6.692 1.00 31.31 H new ATOM 0 HG2 LYS A 80 1.768 9.809 4.578 1.00 24.10 H new ATOM 0 HG3 LYS A 80 1.143 8.253 5.085 1.00 24.10 H new ATOM 0 HD2 LYS A 80 -1.168 9.221 5.154 1.00 0.34 H new ATOM 0 HD3 LYS A 80 -0.529 10.758 4.604 1.00 0.34 H new ATOM 0 HE2 LYS A 80 0.366 9.571 2.546 1.00 5.40 H new ATOM 0 HE3 LYS A 80 -0.454 8.119 3.083 1.00 5.40 H new ATOM 0 HZ1 LYS A 80 -2.345 8.863 2.247 1.00 4.14 H new ATOM 0 HZ2 LYS A 80 -2.249 10.311 3.130 1.00 4.14 H new ATOM 0 HZ3 LYS A 80 -1.515 10.197 1.603 1.00 4.14 H new ATOM 1346 N GLY A 81 2.109 9.336 9.641 1.00 51.14 N ATOM 1347 CA GLY A 81 2.279 9.750 11.031 1.00 52.41 C ATOM 1348 C GLY A 81 3.747 9.973 11.386 1.00 51.43 C ATOM 1349 O GLY A 81 4.093 10.915 12.104 1.00 32.15 O ATOM 0 H GLY A 81 1.638 8.440 9.516 1.00 51.14 H new ATOM 0 HA2 GLY A 81 1.720 10.669 11.206 1.00 52.41 H new ATOM 0 HA3 GLY A 81 1.858 8.990 11.690 1.00 52.41 H new ATOM 1353 N ALA A 82 4.612 9.095 10.880 1.00 42.12 N ATOM 1354 CA ALA A 82 6.063 9.272 11.002 1.00 11.03 C ATOM 1355 C ALA A 82 6.526 10.551 10.281 1.00 32.43 C ATOM 1356 O ALA A 82 7.260 11.363 10.850 1.00 23.42 O ATOM 1357 CB ALA A 82 6.793 8.053 10.447 1.00 10.31 C ATOM 0 H ALA A 82 4.334 8.251 10.380 1.00 42.12 H new ATOM 0 HA ALA A 82 6.306 9.375 12.060 1.00 11.03 H new ATOM 0 HB1 ALA A 82 7.869 8.198 10.544 1.00 10.31 H new ATOM 0 HB2 ALA A 82 6.495 7.165 11.005 1.00 10.31 H new ATOM 0 HB3 ALA A 82 6.538 7.924 9.395 1.00 10.31 H new ATOM 1363 N VAL A 83 6.079 10.732 9.033 1.00 25.34 N ATOM 1364 CA VAL A 83 6.392 11.943 8.258 1.00 5.13 C ATOM 1365 C VAL A 83 5.962 13.216 9.014 1.00 51.00 C ATOM 1366 O VAL A 83 6.638 14.247 8.954 1.00 12.53 O ATOM 1367 CB VAL A 83 5.714 11.917 6.858 1.00 54.14 C ATOM 1368 CG1 VAL A 83 6.050 13.174 6.051 1.00 42.41 C ATOM 1369 CG2 VAL A 83 6.120 10.668 6.079 1.00 54.24 C ATOM 0 H VAL A 83 5.499 10.056 8.536 1.00 25.34 H new ATOM 0 HA VAL A 83 7.473 11.959 8.121 1.00 5.13 H new ATOM 0 HB VAL A 83 4.636 11.894 7.019 1.00 54.14 H new ATOM 0 HG11 VAL A 83 5.561 13.124 5.078 1.00 42.41 H new ATOM 0 HG12 VAL A 83 5.700 14.056 6.588 1.00 42.41 H new ATOM 0 HG13 VAL A 83 7.129 13.239 5.911 1.00 42.41 H new ATOM 0 HG21 VAL A 83 5.633 10.673 5.104 1.00 54.24 H new ATOM 0 HG22 VAL A 83 7.202 10.659 5.944 1.00 54.24 H new ATOM 0 HG23 VAL A 83 5.816 9.779 6.632 1.00 54.24 H new ATOM 1379 N ALA A 84 4.843 13.133 9.734 1.00 23.10 N ATOM 1380 CA ALA A 84 4.375 14.241 10.575 1.00 75.05 C ATOM 1381 C ALA A 84 5.408 14.594 11.663 1.00 13.01 C ATOM 1382 O ALA A 84 5.622 15.766 11.976 1.00 42.21 O ATOM 1383 CB ALA A 84 3.029 13.890 11.205 1.00 43.53 C ATOM 0 H ALA A 84 4.241 12.310 9.753 1.00 23.10 H new ATOM 0 HA ALA A 84 4.250 15.119 9.941 1.00 75.05 H new ATOM 0 HB1 ALA A 84 2.691 14.719 11.827 1.00 43.53 H new ATOM 0 HB2 ALA A 84 2.297 13.704 10.419 1.00 43.53 H new ATOM 0 HB3 ALA A 84 3.137 12.996 11.819 1.00 43.53 H new ATOM 1389 N ASN A 85 6.055 13.568 12.229 1.00 44.13 N ATOM 1390 CA ASN A 85 7.129 13.772 13.216 1.00 73.12 C ATOM 1391 C ASN A 85 8.396 14.323 12.541 1.00 33.42 C ATOM 1392 O ASN A 85 9.136 15.112 13.129 1.00 52.54 O ATOM 1393 CB ASN A 85 7.449 12.460 13.950 1.00 24.45 C ATOM 1394 CG ASN A 85 6.370 12.071 14.947 1.00 44.23 C ATOM 1395 OD1 ASN A 85 6.424 12.438 16.115 1.00 33.34 O ATOM 1396 ND2 ASN A 85 5.377 11.331 14.502 1.00 15.14 N ATOM 0 H ASN A 85 5.856 12.589 12.023 1.00 44.13 H new ATOM 0 HA ASN A 85 6.779 14.503 13.945 1.00 73.12 H new ATOM 0 HB2 ASN A 85 7.570 11.660 13.220 1.00 24.45 H new ATOM 0 HB3 ASN A 85 8.401 12.562 14.471 1.00 24.45 H new ATOM 0 HD21 ASN A 85 4.628 11.049 15.134 1.00 15.14 H new ATOM 0 HD22 ASN A 85 5.356 11.039 13.525 1.00 15.14 H new ATOM 1403 N ALA A 86 8.627 13.908 11.296 1.00 64.10 N ATOM 1404 CA ALA A 86 9.761 14.402 10.501 1.00 42.13 C ATOM 1405 C ALA A 86 9.692 15.924 10.284 1.00 33.21 C ATOM 1406 O ALA A 86 10.695 16.571 9.989 1.00 11.42 O ATOM 1407 CB ALA A 86 9.821 13.678 9.162 1.00 22.40 C ATOM 0 H ALA A 86 8.043 13.227 10.810 1.00 64.10 H new ATOM 0 HA ALA A 86 10.671 14.194 11.063 1.00 42.13 H new ATOM 0 HB1 ALA A 86 10.665 14.053 8.583 1.00 22.40 H new ATOM 0 HB2 ALA A 86 9.944 12.608 9.332 1.00 22.40 H new ATOM 0 HB3 ALA A 86 8.897 13.854 8.612 1.00 22.40 H new ATOM 1413 N ALA A 87 8.495 16.491 10.422 1.00 75.04 N ATOM 1414 CA ALA A 87 8.303 17.941 10.310 1.00 75.33 C ATOM 1415 C ALA A 87 8.907 18.694 11.513 1.00 2.42 C ATOM 1416 O ALA A 87 8.976 19.925 11.517 1.00 21.13 O ATOM 1417 CB ALA A 87 6.815 18.258 10.175 1.00 3.14 C ATOM 0 H ALA A 87 7.639 15.969 10.612 1.00 75.04 H new ATOM 0 HA ALA A 87 8.828 18.281 9.417 1.00 75.33 H new ATOM 0 HB1 ALA A 87 6.679 19.336 10.092 1.00 3.14 H new ATOM 0 HB2 ALA A 87 6.419 17.773 9.283 1.00 3.14 H new ATOM 0 HB3 ALA A 87 6.284 17.892 11.053 1.00 3.14 H new ATOM 1423 N CYS A 88 9.341 17.948 12.532 1.00 54.14 N ATOM 1424 CA CYS A 88 9.948 18.537 13.737 1.00 21.15 C ATOM 1425 C CYS A 88 11.475 18.344 13.762 1.00 60.11 C ATOM 1426 O CYS A 88 12.128 18.597 14.777 1.00 33.12 O ATOM 1427 CB CYS A 88 9.323 17.919 14.995 1.00 2.32 C ATOM 1428 SG CYS A 88 10.016 18.531 16.551 1.00 61.44 S ATOM 0 H CYS A 88 9.285 16.930 12.550 1.00 54.14 H new ATOM 0 HA CYS A 88 9.749 19.608 13.717 1.00 21.15 H new ATOM 0 HB2 CYS A 88 8.251 18.115 14.987 1.00 2.32 H new ATOM 0 HB3 CYS A 88 9.450 16.837 14.955 1.00 2.32 H new ATOM 0 HG CYS A 88 11.263 18.854 16.373 1.00 61.44 H new ATOM 1434 N LEU A 89 12.044 17.900 12.643 1.00 72.24 N ATOM 1435 CA LEU A 89 13.496 17.696 12.541 1.00 4.53 C ATOM 1436 C LEU A 89 14.256 19.035 12.465 1.00 0.05 C ATOM 1437 O LEU A 89 13.734 20.025 11.944 1.00 44.34 O ATOM 1438 CB LEU A 89 13.826 16.841 11.307 1.00 72.21 C ATOM 1439 CG LEU A 89 13.262 15.411 11.323 1.00 11.40 C ATOM 1440 CD1 LEU A 89 13.629 14.673 10.037 1.00 31.22 C ATOM 1441 CD2 LEU A 89 13.755 14.647 12.551 1.00 50.33 C ATOM 0 H LEU A 89 11.527 17.674 11.793 1.00 72.24 H new ATOM 0 HA LEU A 89 13.819 17.176 13.443 1.00 4.53 H new ATOM 0 HB2 LEU A 89 13.449 17.352 10.421 1.00 72.21 H new ATOM 0 HB3 LEU A 89 14.910 16.784 11.205 1.00 72.21 H new ATOM 0 HG LEU A 89 12.175 15.473 11.380 1.00 11.40 H new ATOM 0 HD11 LEU A 89 13.221 13.663 10.068 1.00 31.22 H new ATOM 0 HD12 LEU A 89 13.215 15.206 9.181 1.00 31.22 H new ATOM 0 HD13 LEU A 89 14.714 14.623 9.943 1.00 31.22 H new ATOM 0 HD21 LEU A 89 13.343 13.638 12.541 1.00 50.33 H new ATOM 0 HD22 LEU A 89 14.844 14.595 12.534 1.00 50.33 H new ATOM 0 HD23 LEU A 89 13.430 15.163 13.455 1.00 50.33 H new ATOM 1453 N PRO A 90 15.501 19.082 12.990 1.00 72.42 N ATOM 1454 CA PRO A 90 16.354 20.285 12.916 1.00 41.22 C ATOM 1455 C PRO A 90 16.495 20.819 11.481 1.00 54.41 C ATOM 1456 O PRO A 90 16.482 22.033 11.249 1.00 33.40 O ATOM 1457 CB PRO A 90 17.705 19.789 13.452 1.00 43.34 C ATOM 1458 CG PRO A 90 17.355 18.651 14.347 1.00 53.52 C ATOM 1459 CD PRO A 90 16.173 17.976 13.704 1.00 2.52 C ATOM 0 HA PRO A 90 15.938 21.120 13.480 1.00 41.22 H new ATOM 0 HB2 PRO A 90 18.361 19.470 12.642 1.00 43.34 H new ATOM 0 HB3 PRO A 90 18.229 20.575 13.996 1.00 43.34 H new ATOM 0 HG2 PRO A 90 18.193 17.961 14.449 1.00 53.52 H new ATOM 0 HG3 PRO A 90 17.108 19.002 15.349 1.00 53.52 H new ATOM 0 HD2 PRO A 90 16.483 17.185 13.021 1.00 2.52 H new ATOM 0 HD3 PRO A 90 15.518 17.518 14.445 1.00 2.52 H new ATOM 1467 N GLU A 91 16.642 19.903 10.528 1.00 3.21 N ATOM 1468 CA GLU A 91 16.620 20.241 9.102 1.00 2.42 C ATOM 1469 C GLU A 91 15.467 19.503 8.395 1.00 41.22 C ATOM 1470 O GLU A 91 15.184 18.342 8.689 1.00 53.43 O ATOM 1471 CB GLU A 91 17.973 19.923 8.429 1.00 65.20 C ATOM 1472 CG GLU A 91 18.446 18.474 8.560 1.00 64.31 C ATOM 1473 CD GLU A 91 18.956 18.121 9.952 1.00 64.12 C ATOM 1474 OE1 GLU A 91 20.090 18.521 10.296 1.00 21.25 O ATOM 1475 OE2 GLU A 91 18.232 17.440 10.708 1.00 14.23 O ATOM 0 H GLU A 91 16.779 18.910 10.717 1.00 3.21 H new ATOM 0 HA GLU A 91 16.453 21.314 9.010 1.00 2.42 H new ATOM 0 HB2 GLU A 91 17.899 20.169 7.370 1.00 65.20 H new ATOM 0 HB3 GLU A 91 18.734 20.576 8.856 1.00 65.20 H new ATOM 0 HG2 GLU A 91 17.622 17.807 8.304 1.00 64.31 H new ATOM 0 HG3 GLU A 91 19.239 18.293 7.835 1.00 64.31 H new ATOM 1482 N LEU A 92 14.808 20.184 7.459 1.00 41.15 N ATOM 1483 CA LEU A 92 13.590 19.658 6.814 1.00 52.53 C ATOM 1484 C LEU A 92 13.932 18.717 5.634 1.00 3.40 C ATOM 1485 O LEU A 92 13.055 18.068 5.062 1.00 4.53 O ATOM 1486 CB LEU A 92 12.728 20.856 6.346 1.00 24.33 C ATOM 1487 CG LEU A 92 11.198 20.638 6.249 1.00 45.40 C ATOM 1488 CD1 LEU A 92 10.807 19.873 4.988 1.00 5.12 C ATOM 1489 CD2 LEU A 92 10.673 19.924 7.495 1.00 41.25 C ATOM 0 H LEU A 92 15.092 21.105 7.125 1.00 41.15 H new ATOM 0 HA LEU A 92 13.029 19.060 7.532 1.00 52.53 H new ATOM 0 HB2 LEU A 92 12.907 21.687 7.028 1.00 24.33 H new ATOM 0 HB3 LEU A 92 13.087 21.166 5.365 1.00 24.33 H new ATOM 0 HG LEU A 92 10.736 21.623 6.188 1.00 45.40 H new ATOM 0 HD11 LEU A 92 9.725 19.743 4.962 1.00 5.12 H new ATOM 0 HD12 LEU A 92 11.127 20.433 4.109 1.00 5.12 H new ATOM 0 HD13 LEU A 92 11.290 18.896 4.991 1.00 5.12 H new ATOM 0 HD21 LEU A 92 9.596 19.781 7.406 1.00 41.25 H new ATOM 0 HD22 LEU A 92 11.161 18.954 7.591 1.00 41.25 H new ATOM 0 HD23 LEU A 92 10.887 20.527 8.377 1.00 41.25 H new ATOM 1501 N ILE A 93 15.219 18.623 5.306 1.00 52.20 N ATOM 1502 CA ILE A 93 15.693 17.843 4.149 1.00 25.45 C ATOM 1503 C ILE A 93 15.117 16.412 4.108 1.00 43.44 C ATOM 1504 O ILE A 93 14.512 16.007 3.109 1.00 13.31 O ATOM 1505 CB ILE A 93 17.241 17.772 4.129 1.00 65.14 C ATOM 1506 CG1 ILE A 93 17.839 19.189 4.109 1.00 14.04 C ATOM 1507 CG2 ILE A 93 17.737 16.960 2.931 1.00 54.00 C ATOM 1508 CD1 ILE A 93 17.433 20.021 2.906 1.00 62.34 C ATOM 0 H ILE A 93 15.966 19.081 5.828 1.00 52.20 H new ATOM 0 HA ILE A 93 15.333 18.369 3.265 1.00 25.45 H new ATOM 0 HB ILE A 93 17.572 17.267 5.036 1.00 65.14 H new ATOM 0 HG12 ILE A 93 17.536 19.711 5.016 1.00 14.04 H new ATOM 0 HG13 ILE A 93 18.926 19.112 4.133 1.00 14.04 H new ATOM 0 HG21 ILE A 93 18.826 16.926 2.941 1.00 54.00 H new ATOM 0 HG22 ILE A 93 17.342 15.946 2.990 1.00 54.00 H new ATOM 0 HG23 ILE A 93 17.397 17.429 2.008 1.00 54.00 H new ATOM 0 HD11 ILE A 93 17.898 21.005 2.970 1.00 62.34 H new ATOM 0 HD12 ILE A 93 17.760 19.524 1.993 1.00 62.34 H new ATOM 0 HD13 ILE A 93 16.349 20.132 2.890 1.00 62.34 H new ATOM 1520 N LEU A 94 15.300 15.651 5.188 1.00 34.30 N ATOM 1521 CA LEU A 94 14.798 14.268 5.254 1.00 13.22 C ATOM 1522 C LEU A 94 13.276 14.211 5.053 1.00 45.22 C ATOM 1523 O LEU A 94 12.768 13.335 4.357 1.00 22.23 O ATOM 1524 CB LEU A 94 15.178 13.616 6.593 1.00 0.50 C ATOM 1525 CG LEU A 94 14.618 12.200 6.832 1.00 25.51 C ATOM 1526 CD1 LEU A 94 15.056 11.240 5.726 1.00 11.24 C ATOM 1527 CD2 LEU A 94 15.048 11.680 8.203 1.00 20.44 C ATOM 0 H LEU A 94 15.789 15.962 6.027 1.00 34.30 H new ATOM 0 HA LEU A 94 15.267 13.711 4.443 1.00 13.22 H new ATOM 0 HB2 LEU A 94 16.265 13.572 6.659 1.00 0.50 H new ATOM 0 HB3 LEU A 94 14.836 14.263 7.401 1.00 0.50 H new ATOM 0 HG LEU A 94 13.530 12.258 6.810 1.00 25.51 H new ATOM 0 HD11 LEU A 94 14.646 10.249 5.921 1.00 11.24 H new ATOM 0 HD12 LEU A 94 14.690 11.601 4.765 1.00 11.24 H new ATOM 0 HD13 LEU A 94 16.144 11.184 5.702 1.00 11.24 H new ATOM 0 HD21 LEU A 94 14.644 10.679 8.356 1.00 20.44 H new ATOM 0 HD22 LEU A 94 16.136 11.644 8.253 1.00 20.44 H new ATOM 0 HD23 LEU A 94 14.671 12.346 8.979 1.00 20.44 H new ATOM 1539 N HIS A 95 12.558 15.161 5.650 1.00 2.13 N ATOM 1540 CA HIS A 95 11.097 15.223 5.518 1.00 51.21 C ATOM 1541 C HIS A 95 10.673 15.322 4.043 1.00 40.24 C ATOM 1542 O HIS A 95 9.709 14.683 3.620 1.00 45.32 O ATOM 1543 CB HIS A 95 10.541 16.421 6.301 1.00 52.04 C ATOM 1544 CG HIS A 95 9.048 16.558 6.226 1.00 65.12 C ATOM 1545 ND1 HIS A 95 8.069 16.022 6.993 1.00 53.14 N flip ATOM 1546 CD2 HIS A 95 8.403 17.325 5.278 1.00 4.11 C flip ATOM 1547 CE1 HIS A 95 6.874 16.475 6.498 1.00 33.43 C flip ATOM 1548 NE2 HIS A 95 7.101 17.258 5.468 1.00 60.32 N flip ATOM 0 H HIS A 95 12.960 15.898 6.229 1.00 2.13 H new ATOM 0 HA HIS A 95 10.687 14.301 5.931 1.00 51.21 H new ATOM 0 HB2 HIS A 95 10.835 16.327 7.346 1.00 52.04 H new ATOM 0 HB3 HIS A 95 10.999 17.334 5.922 1.00 52.04 H new ATOM 0 HD2 HIS A 95 8.890 17.893 4.500 1.00 4.11 H new ATOM 0 HE1 HIS A 95 5.900 16.227 6.892 1.00 33.43 H new ATOM 0 HE2 HIS A 95 6.391 17.733 4.911 1.00 60.32 H new ATOM 1557 N ASN A 96 11.400 16.127 3.271 1.00 12.01 N ATOM 1558 CA ASN A 96 11.132 16.278 1.836 1.00 40.13 C ATOM 1559 C ASN A 96 11.440 14.979 1.072 1.00 22.33 C ATOM 1560 O ASN A 96 10.693 14.573 0.181 1.00 12.42 O ATOM 1561 CB ASN A 96 11.958 17.442 1.271 1.00 50.42 C ATOM 1562 CG ASN A 96 11.734 17.652 -0.216 1.00 34.42 C ATOM 1563 OD1 ASN A 96 10.823 18.362 -0.627 1.00 71.41 O ATOM 1564 ND2 ASN A 96 12.571 17.043 -1.031 1.00 73.21 N ATOM 0 H ASN A 96 12.181 16.687 3.613 1.00 12.01 H new ATOM 0 HA ASN A 96 10.072 16.496 1.706 1.00 40.13 H new ATOM 0 HB2 ASN A 96 11.702 18.357 1.806 1.00 50.42 H new ATOM 0 HB3 ASN A 96 13.016 17.253 1.452 1.00 50.42 H new ATOM 0 HD21 ASN A 96 12.473 17.155 -2.040 1.00 73.21 H new ATOM 0 HD22 ASN A 96 13.317 16.460 -0.653 1.00 73.21 H new ATOM 1571 N LYS A 97 12.535 14.320 1.435 1.00 31.25 N ATOM 1572 CA LYS A 97 12.952 13.089 0.758 1.00 21.25 C ATOM 1573 C LYS A 97 12.012 11.909 1.066 1.00 41.04 C ATOM 1574 O LYS A 97 11.554 11.218 0.158 1.00 25.23 O ATOM 1575 CB LYS A 97 14.394 12.736 1.137 1.00 63.12 C ATOM 1576 CG LYS A 97 15.411 13.771 0.668 1.00 13.54 C ATOM 1577 CD LYS A 97 16.843 13.331 0.946 1.00 61.22 C ATOM 1578 CE LYS A 97 17.851 14.330 0.389 1.00 14.22 C ATOM 1579 NZ LYS A 97 17.705 14.511 -1.083 1.00 52.33 N ATOM 0 H LYS A 97 13.152 14.614 2.193 1.00 31.25 H new ATOM 0 HA LYS A 97 12.898 13.274 -0.315 1.00 21.25 H new ATOM 0 HB2 LYS A 97 14.463 12.634 2.220 1.00 63.12 H new ATOM 0 HB3 LYS A 97 14.648 11.767 0.708 1.00 63.12 H new ATOM 0 HG2 LYS A 97 15.286 13.944 -0.401 1.00 13.54 H new ATOM 0 HG3 LYS A 97 15.220 14.720 1.169 1.00 13.54 H new ATOM 0 HD2 LYS A 97 16.990 13.225 2.021 1.00 61.22 H new ATOM 0 HD3 LYS A 97 17.017 12.351 0.502 1.00 61.22 H new ATOM 0 HE2 LYS A 97 17.721 15.291 0.887 1.00 14.22 H new ATOM 0 HE3 LYS A 97 18.861 13.988 0.614 1.00 14.22 H new ATOM 0 HZ1 LYS A 97 18.557 14.972 -1.462 1.00 52.33 H new ATOM 0 HZ2 LYS A 97 17.583 13.583 -1.536 1.00 52.33 H new ATOM 0 HZ3 LYS A 97 16.874 15.104 -1.279 1.00 52.33 H new ATOM 1593 N MET A 98 11.710 11.696 2.342 1.00 23.34 N ATOM 1594 CA MET A 98 10.857 10.574 2.751 1.00 51.13 C ATOM 1595 C MET A 98 9.430 10.697 2.183 1.00 60.24 C ATOM 1596 O MET A 98 8.736 9.695 2.013 1.00 62.12 O ATOM 1597 CB MET A 98 10.815 10.463 4.283 1.00 73.42 C ATOM 1598 CG MET A 98 10.089 11.609 4.973 1.00 44.42 C ATOM 1599 SD MET A 98 10.233 11.549 6.771 1.00 42.42 S ATOM 1600 CE MET A 98 9.589 9.914 7.129 1.00 40.45 C ATOM 0 H MET A 98 12.039 12.279 3.111 1.00 23.34 H new ATOM 0 HA MET A 98 11.295 9.665 2.339 1.00 51.13 H new ATOM 0 HB2 MET A 98 10.331 9.525 4.555 1.00 73.42 H new ATOM 0 HB3 MET A 98 11.836 10.415 4.661 1.00 73.42 H new ATOM 0 HG2 MET A 98 10.490 12.556 4.613 1.00 44.42 H new ATOM 0 HG3 MET A 98 9.035 11.584 4.697 1.00 44.42 H new ATOM 0 HE1 MET A 98 8.916 9.967 7.985 1.00 40.45 H new ATOM 0 HE2 MET A 98 9.045 9.539 6.262 1.00 40.45 H new ATOM 0 HE3 MET A 98 10.414 9.240 7.358 1.00 40.45 H new ATOM 1610 N LYS A 99 8.988 11.923 1.882 1.00 11.40 N ATOM 1611 CA LYS A 99 7.638 12.116 1.334 1.00 52.55 C ATOM 1612 C LYS A 99 7.610 11.942 -0.197 1.00 54.11 C ATOM 1613 O LYS A 99 6.678 11.345 -0.729 1.00 41.14 O ATOM 1614 CB LYS A 99 7.050 13.484 1.722 1.00 30.30 C ATOM 1615 CG LYS A 99 7.700 14.680 1.032 1.00 44.24 C ATOM 1616 CD LYS A 99 6.829 15.932 1.131 1.00 60.31 C ATOM 1617 CE LYS A 99 5.483 15.735 0.436 1.00 12.13 C ATOM 1618 NZ LYS A 99 4.622 16.941 0.524 1.00 32.21 N ATOM 0 H LYS A 99 9.529 12.779 2.004 1.00 11.40 H new ATOM 0 HA LYS A 99 7.014 11.340 1.777 1.00 52.55 H new ATOM 0 HB2 LYS A 99 5.985 13.484 1.491 1.00 30.30 H new ATOM 0 HB3 LYS A 99 7.142 13.611 2.801 1.00 30.30 H new ATOM 0 HG2 LYS A 99 8.672 14.877 1.484 1.00 44.24 H new ATOM 0 HG3 LYS A 99 7.878 14.443 -0.017 1.00 44.24 H new ATOM 0 HD2 LYS A 99 6.665 16.180 2.180 1.00 60.31 H new ATOM 0 HD3 LYS A 99 7.352 16.776 0.681 1.00 60.31 H new ATOM 0 HE2 LYS A 99 5.651 15.487 -0.612 1.00 12.13 H new ATOM 0 HE3 LYS A 99 4.965 14.888 0.885 1.00 12.13 H new ATOM 0 HZ1 LYS A 99 3.720 16.760 0.039 1.00 32.21 H new ATOM 0 HZ2 LYS A 99 4.439 17.165 1.523 1.00 32.21 H new ATOM 0 HZ3 LYS A 99 5.103 17.745 0.072 1.00 32.21 H new ATOM 1632 N ARG A 100 8.628 12.450 -0.905 1.00 32.12 N ATOM 1633 CA ARG A 100 8.668 12.358 -2.379 1.00 54.23 C ATOM 1634 C ARG A 100 8.653 10.896 -2.855 1.00 52.44 C ATOM 1635 O ARG A 100 7.960 10.553 -3.814 1.00 51.21 O ATOM 1636 CB ARG A 100 9.896 13.092 -2.953 1.00 2.03 C ATOM 1637 CG ARG A 100 11.229 12.578 -2.423 1.00 33.14 C ATOM 1638 CD ARG A 100 12.424 13.219 -3.123 1.00 12.02 C ATOM 1639 NE ARG A 100 12.534 12.799 -4.519 1.00 35.31 N ATOM 1640 CZ ARG A 100 13.220 11.764 -4.924 1.00 60.32 C ATOM 1641 NH1 ARG A 100 13.839 11.006 -4.076 1.00 52.11 N ATOM 1642 NH2 ARG A 100 13.278 11.486 -6.182 1.00 5.14 N ATOM 0 H ARG A 100 9.430 12.925 -0.490 1.00 32.12 H new ATOM 0 HA ARG A 100 7.768 12.846 -2.753 1.00 54.23 H new ATOM 0 HB2 ARG A 100 9.888 12.998 -4.039 1.00 2.03 H new ATOM 0 HB3 ARG A 100 9.811 14.154 -2.724 1.00 2.03 H new ATOM 0 HG2 ARG A 100 11.291 12.775 -1.353 1.00 33.14 H new ATOM 0 HG3 ARG A 100 11.274 11.497 -2.551 1.00 33.14 H new ATOM 0 HD2 ARG A 100 12.331 14.304 -3.078 1.00 12.02 H new ATOM 0 HD3 ARG A 100 13.339 12.955 -2.592 1.00 12.02 H new ATOM 0 HE ARG A 100 12.043 13.350 -5.223 1.00 35.31 H new ATOM 0 HH11 ARG A 100 13.794 11.214 -3.078 1.00 52.11 H new ATOM 0 HH12 ARG A 100 14.371 10.201 -4.406 1.00 52.11 H new ATOM 0 HH21 ARG A 100 12.789 12.074 -6.857 1.00 5.14 H new ATOM 0 HH22 ARG A 100 13.813 10.678 -6.502 1.00 5.14 H new ATOM 1656 N GLU A 101 9.413 10.035 -2.178 1.00 55.23 N ATOM 1657 CA GLU A 101 9.414 8.603 -2.494 1.00 44.44 C ATOM 1658 C GLU A 101 8.101 7.941 -2.034 1.00 45.23 C ATOM 1659 O GLU A 101 7.593 7.026 -2.685 1.00 21.55 O ATOM 1660 CB GLU A 101 10.638 7.915 -1.868 1.00 11.21 C ATOM 1661 CG GLU A 101 10.795 8.145 -0.367 1.00 74.24 C ATOM 1662 CD GLU A 101 12.111 7.599 0.176 1.00 34.12 C ATOM 1663 OE1 GLU A 101 13.131 8.323 0.113 1.00 73.34 O ATOM 1664 OE2 GLU A 101 12.138 6.447 0.654 1.00 62.54 O ATOM 0 H GLU A 101 10.032 10.300 -1.412 1.00 55.23 H new ATOM 0 HA GLU A 101 9.481 8.486 -3.576 1.00 44.44 H new ATOM 0 HB2 GLU A 101 10.571 6.843 -2.053 1.00 11.21 H new ATOM 0 HB3 GLU A 101 11.536 8.270 -2.373 1.00 11.21 H new ATOM 0 HG2 GLU A 101 10.736 9.213 -0.159 1.00 74.24 H new ATOM 0 HG3 GLU A 101 9.965 7.672 0.158 1.00 74.24 H new ATOM 1671 N LEU A 102 7.543 8.435 -0.928 1.00 53.42 N ATOM 1672 CA LEU A 102 6.233 7.978 -0.446 1.00 4.34 C ATOM 1673 C LEU A 102 5.114 8.375 -1.425 1.00 13.22 C ATOM 1674 O LEU A 102 4.127 7.653 -1.581 1.00 21.34 O ATOM 1675 CB LEU A 102 5.950 8.564 0.947 1.00 40.50 C ATOM 1676 CG LEU A 102 4.619 8.136 1.594 1.00 55.42 C ATOM 1677 CD1 LEU A 102 4.567 6.622 1.786 1.00 30.52 C ATOM 1678 CD2 LEU A 102 4.403 8.857 2.926 1.00 35.31 C ATOM 0 H LEU A 102 7.976 9.152 -0.347 1.00 53.42 H new ATOM 0 HA LEU A 102 6.255 6.890 -0.379 1.00 4.34 H new ATOM 0 HB2 LEU A 102 6.765 8.279 1.613 1.00 40.50 H new ATOM 0 HB3 LEU A 102 5.964 9.651 0.873 1.00 40.50 H new ATOM 0 HG LEU A 102 3.812 8.420 0.919 1.00 55.42 H new ATOM 0 HD11 LEU A 102 3.617 6.346 2.244 1.00 30.52 H new ATOM 0 HD12 LEU A 102 4.660 6.129 0.818 1.00 30.52 H new ATOM 0 HD13 LEU A 102 5.387 6.309 2.433 1.00 30.52 H new ATOM 0 HD21 LEU A 102 3.457 8.538 3.363 1.00 35.31 H new ATOM 0 HD22 LEU A 102 5.218 8.614 3.608 1.00 35.31 H new ATOM 0 HD23 LEU A 102 4.380 9.934 2.757 1.00 35.31 H new ATOM 1690 N GLN A 103 5.287 9.515 -2.101 1.00 1.44 N ATOM 1691 CA GLN A 103 4.300 10.005 -3.073 1.00 41.23 C ATOM 1692 C GLN A 103 3.973 8.936 -4.118 1.00 30.13 C ATOM 1693 O GLN A 103 2.822 8.752 -4.479 1.00 24.04 O ATOM 1694 CB GLN A 103 4.801 11.279 -3.775 1.00 13.32 C ATOM 1695 CG GLN A 103 4.817 12.519 -2.890 1.00 14.41 C ATOM 1696 CD GLN A 103 3.424 13.008 -2.524 1.00 0.21 C ATOM 1697 OE1 GLN A 103 2.834 13.826 -3.225 1.00 41.45 O ATOM 1698 NE2 GLN A 103 2.881 12.511 -1.435 1.00 72.05 N ATOM 0 H GLN A 103 6.103 10.118 -1.994 1.00 1.44 H new ATOM 0 HA GLN A 103 3.391 10.241 -2.519 1.00 41.23 H new ATOM 0 HB2 GLN A 103 5.809 11.101 -4.149 1.00 13.32 H new ATOM 0 HB3 GLN A 103 4.170 11.474 -4.642 1.00 13.32 H new ATOM 0 HG2 GLN A 103 5.370 12.299 -1.977 1.00 14.41 H new ATOM 0 HG3 GLN A 103 5.353 13.318 -3.403 1.00 14.41 H new ATOM 0 HE21 GLN A 103 3.395 11.833 -0.872 1.00 72.05 H new ATOM 0 HE22 GLN A 103 1.946 12.803 -1.152 1.00 72.05 H new ATOM 1707 N ARG A 104 4.991 8.214 -4.584 1.00 14.14 N ATOM 1708 CA ARG A 104 4.790 7.146 -5.573 1.00 60.13 C ATOM 1709 C ARG A 104 3.798 6.085 -5.059 1.00 13.41 C ATOM 1710 O ARG A 104 3.022 5.520 -5.828 1.00 0.31 O ATOM 1711 CB ARG A 104 6.134 6.501 -5.937 1.00 75.53 C ATOM 1712 CG ARG A 104 7.132 7.465 -6.589 1.00 2.25 C ATOM 1713 CD ARG A 104 6.706 7.887 -8.003 1.00 1.33 C ATOM 1714 NE ARG A 104 5.494 8.714 -8.012 1.00 2.03 N ATOM 1715 CZ ARG A 104 4.852 9.070 -9.096 1.00 31.23 C ATOM 1716 NH1 ARG A 104 5.263 8.697 -10.265 1.00 3.52 N ATOM 1717 NH2 ARG A 104 3.789 9.797 -9.003 1.00 34.34 N ATOM 0 H ARG A 104 5.961 8.345 -4.297 1.00 14.14 H new ATOM 0 HA ARG A 104 4.360 7.591 -6.470 1.00 60.13 H new ATOM 0 HB2 ARG A 104 6.582 6.086 -5.034 1.00 75.53 H new ATOM 0 HB3 ARG A 104 5.953 5.667 -6.616 1.00 75.53 H new ATOM 0 HG2 ARG A 104 7.236 8.352 -5.965 1.00 2.25 H new ATOM 0 HG3 ARG A 104 8.113 6.991 -6.635 1.00 2.25 H new ATOM 0 HD2 ARG A 104 7.520 8.439 -8.472 1.00 1.33 H new ATOM 0 HD3 ARG A 104 6.536 6.996 -8.607 1.00 1.33 H new ATOM 0 HE ARG A 104 5.128 9.032 -7.115 1.00 2.03 H new ATOM 0 HH11 ARG A 104 6.098 8.117 -10.351 1.00 3.52 H new ATOM 0 HH12 ARG A 104 4.752 8.982 -11.100 1.00 3.52 H new ATOM 0 HH21 ARG A 104 3.452 10.092 -8.087 1.00 34.34 H new ATOM 0 HH22 ARG A 104 3.287 10.076 -9.846 1.00 34.34 H new ATOM 1731 N VAL A 105 3.817 5.839 -3.751 1.00 14.15 N ATOM 1732 CA VAL A 105 2.884 4.899 -3.123 1.00 21.21 C ATOM 1733 C VAL A 105 1.477 5.520 -2.991 1.00 71.21 C ATOM 1734 O VAL A 105 0.459 4.841 -3.156 1.00 24.22 O ATOM 1735 CB VAL A 105 3.394 4.460 -1.726 1.00 31.22 C ATOM 1736 CG1 VAL A 105 2.460 3.427 -1.094 1.00 2.11 C ATOM 1737 CG2 VAL A 105 4.821 3.919 -1.819 1.00 51.01 C ATOM 0 H VAL A 105 4.470 6.278 -3.101 1.00 14.15 H new ATOM 0 HA VAL A 105 2.822 4.022 -3.767 1.00 21.21 H new ATOM 0 HB VAL A 105 3.401 5.338 -1.080 1.00 31.22 H new ATOM 0 HG11 VAL A 105 2.845 3.139 -0.116 1.00 2.11 H new ATOM 0 HG12 VAL A 105 1.465 3.857 -0.981 1.00 2.11 H new ATOM 0 HG13 VAL A 105 2.404 2.547 -1.735 1.00 2.11 H new ATOM 0 HG21 VAL A 105 5.161 3.616 -0.828 1.00 51.01 H new ATOM 0 HG22 VAL A 105 4.841 3.059 -2.488 1.00 51.01 H new ATOM 0 HG23 VAL A 105 5.480 4.696 -2.207 1.00 51.01 H new ATOM 1747 N GLU A 106 1.430 6.822 -2.704 1.00 50.23 N ATOM 1748 CA GLU A 106 0.161 7.551 -2.571 1.00 1.35 C ATOM 1749 C GLU A 106 -0.545 7.716 -3.932 1.00 51.44 C ATOM 1750 O GLU A 106 -1.747 7.456 -4.053 1.00 43.12 O ATOM 1751 CB GLU A 106 0.407 8.923 -1.932 1.00 55.10 C ATOM 1752 CG GLU A 106 0.976 8.848 -0.519 1.00 20.22 C ATOM 1753 CD GLU A 106 1.149 10.217 0.123 1.00 23.20 C ATOM 1754 OE1 GLU A 106 0.125 10.894 0.365 1.00 42.23 O ATOM 1755 OE2 GLU A 106 2.297 10.613 0.403 1.00 24.21 O ATOM 0 H GLU A 106 2.259 7.398 -2.558 1.00 50.23 H new ATOM 0 HA GLU A 106 -0.495 6.965 -1.927 1.00 1.35 H new ATOM 0 HB2 GLU A 106 1.094 9.489 -2.561 1.00 55.10 H new ATOM 0 HB3 GLU A 106 -0.532 9.476 -1.907 1.00 55.10 H new ATOM 0 HG2 GLU A 106 0.316 8.242 0.101 1.00 20.22 H new ATOM 0 HG3 GLU A 106 1.941 8.341 -0.548 1.00 20.22 H new ATOM 1762 N ASP A 107 0.206 8.155 -4.943 1.00 63.12 N ATOM 1763 CA ASP A 107 -0.301 8.255 -6.317 1.00 64.54 C ATOM 1764 C ASP A 107 -0.834 6.898 -6.802 1.00 61.01 C ATOM 1765 O ASP A 107 -1.768 6.829 -7.603 1.00 74.32 O ATOM 1766 CB ASP A 107 0.798 8.763 -7.262 1.00 31.14 C ATOM 1767 CG ASP A 107 1.245 10.178 -6.932 1.00 2.21 C ATOM 1768 OD1 ASP A 107 0.389 11.088 -6.918 1.00 42.00 O ATOM 1769 OD2 ASP A 107 2.458 10.397 -6.712 1.00 51.22 O ATOM 0 H ASP A 107 1.177 8.450 -4.837 1.00 63.12 H new ATOM 0 HA ASP A 107 -1.124 8.970 -6.323 1.00 64.54 H new ATOM 0 HB2 ASP A 107 1.656 8.093 -7.208 1.00 31.14 H new ATOM 0 HB3 ASP A 107 0.433 8.731 -8.288 1.00 31.14 H new ATOM 1774 N SER A 108 -0.232 5.821 -6.312 1.00 21.12 N ATOM 1775 CA SER A 108 -0.755 4.475 -6.549 1.00 33.43 C ATOM 1776 C SER A 108 -2.124 4.303 -5.874 1.00 15.22 C ATOM 1777 O SER A 108 -3.118 4.001 -6.528 1.00 31.30 O ATOM 1778 CB SER A 108 0.222 3.414 -6.021 1.00 21.32 C ATOM 1779 OG SER A 108 1.439 3.421 -6.752 1.00 63.11 O ATOM 0 H SER A 108 0.618 5.850 -5.748 1.00 21.12 H new ATOM 0 HA SER A 108 -0.871 4.342 -7.625 1.00 33.43 H new ATOM 0 HB2 SER A 108 0.428 3.599 -4.967 1.00 21.32 H new ATOM 0 HB3 SER A 108 -0.238 2.428 -6.087 1.00 21.32 H new ATOM 0 HG SER A 108 2.018 4.137 -6.416 1.00 63.11 H new ATOM 1785 N HIS A 109 -2.168 4.536 -4.561 1.00 65.40 N ATOM 1786 CA HIS A 109 -3.399 4.369 -3.769 1.00 31.31 C ATOM 1787 C HIS A 109 -4.589 5.156 -4.348 1.00 70.50 C ATOM 1788 O HIS A 109 -5.722 4.676 -4.335 1.00 34.01 O ATOM 1789 CB HIS A 109 -3.138 4.800 -2.318 1.00 20.02 C ATOM 1790 CG HIS A 109 -4.342 4.733 -1.422 1.00 64.43 C ATOM 1791 ND1 HIS A 109 -5.091 3.592 -1.238 1.00 42.30 N ATOM 1792 CD2 HIS A 109 -4.921 5.682 -0.645 1.00 44.43 C ATOM 1793 CE1 HIS A 109 -6.070 3.840 -0.393 1.00 73.31 C ATOM 1794 NE2 HIS A 109 -5.991 5.100 -0.017 1.00 61.14 N ATOM 0 H HIS A 109 -1.362 4.843 -4.016 1.00 65.40 H new ATOM 0 HA HIS A 109 -3.670 3.314 -3.805 1.00 31.31 H new ATOM 0 HB2 HIS A 109 -2.354 4.168 -1.900 1.00 20.02 H new ATOM 0 HB3 HIS A 109 -2.758 5.821 -2.319 1.00 20.02 H new ATOM 0 HD1 HIS A 109 -4.915 2.693 -1.687 1.00 42.30 H new ATOM 0 HD2 HIS A 109 -4.598 6.707 -0.540 1.00 44.43 H new ATOM 0 HE1 HIS A 109 -6.813 3.129 -0.063 1.00 73.31 H new ATOM 1803 N GLN A 110 -4.333 6.362 -4.855 1.00 2.20 N ATOM 1804 CA GLN A 110 -5.410 7.205 -5.391 1.00 30.14 C ATOM 1805 C GLN A 110 -6.060 6.572 -6.638 1.00 52.41 C ATOM 1806 O GLN A 110 -7.279 6.614 -6.795 1.00 10.23 O ATOM 1807 CB GLN A 110 -4.896 8.621 -5.713 1.00 1.53 C ATOM 1808 CG GLN A 110 -4.008 8.700 -6.950 1.00 71.44 C ATOM 1809 CD GLN A 110 -3.462 10.093 -7.226 1.00 22.43 C ATOM 1810 OE1 GLN A 110 -3.178 10.850 -6.185 1.00 72.43 O flip ATOM 1811 NE2 GLN A 110 -3.271 10.479 -8.374 1.00 43.31 N flip ATOM 0 H GLN A 110 -3.402 6.776 -4.907 1.00 2.20 H new ATOM 0 HA GLN A 110 -6.174 7.282 -4.618 1.00 30.14 H new ATOM 0 HB2 GLN A 110 -5.751 9.283 -5.851 1.00 1.53 H new ATOM 0 HB3 GLN A 110 -4.338 8.996 -4.855 1.00 1.53 H new ATOM 0 HG2 GLN A 110 -3.173 8.010 -6.831 1.00 71.44 H new ATOM 0 HG3 GLN A 110 -4.578 8.365 -7.817 1.00 71.44 H new ATOM 0 HE21 GLN A 110 -3.500 9.872 -9.161 1.00 43.31 H new ATOM 0 HE22 GLN A 110 -2.883 11.407 -8.542 1.00 43.31 H new ATOM 1820 N ILE A 111 -5.247 5.974 -7.517 1.00 12.14 N ATOM 1821 CA ILE A 111 -5.769 5.341 -8.738 1.00 24.21 C ATOM 1822 C ILE A 111 -6.267 3.910 -8.467 1.00 11.41 C ATOM 1823 O ILE A 111 -7.164 3.412 -9.154 1.00 74.11 O ATOM 1824 CB ILE A 111 -4.725 5.328 -9.888 1.00 63.20 C ATOM 1825 CG1 ILE A 111 -3.487 4.490 -9.515 1.00 72.12 C ATOM 1826 CG2 ILE A 111 -4.317 6.758 -10.252 1.00 14.41 C ATOM 1827 CD1 ILE A 111 -2.446 4.410 -10.616 1.00 72.41 C ATOM 0 H ILE A 111 -4.234 5.914 -7.409 1.00 12.14 H new ATOM 0 HA ILE A 111 -6.614 5.951 -9.057 1.00 24.21 H new ATOM 0 HB ILE A 111 -5.189 4.863 -10.757 1.00 63.20 H new ATOM 0 HG12 ILE A 111 -3.027 4.916 -8.623 1.00 72.12 H new ATOM 0 HG13 ILE A 111 -3.808 3.481 -9.257 1.00 72.12 H new ATOM 0 HG21 ILE A 111 -3.585 6.733 -11.059 1.00 14.41 H new ATOM 0 HG22 ILE A 111 -5.196 7.316 -10.576 1.00 14.41 H new ATOM 0 HG23 ILE A 111 -3.879 7.245 -9.380 1.00 14.41 H new ATOM 0 HD11 ILE A 111 -1.605 3.804 -10.279 1.00 72.41 H new ATOM 0 HD12 ILE A 111 -2.888 3.956 -11.503 1.00 72.41 H new ATOM 0 HD13 ILE A 111 -2.096 5.413 -10.859 1.00 72.41 H new ATOM 1839 N LEU A 112 -5.684 3.253 -7.462 1.00 42.02 N ATOM 1840 CA LEU A 112 -6.164 1.941 -7.015 1.00 54.05 C ATOM 1841 C LEU A 112 -7.608 2.043 -6.511 1.00 71.33 C ATOM 1842 O LEU A 112 -8.483 1.297 -6.946 1.00 15.13 O ATOM 1843 CB LEU A 112 -5.263 1.381 -5.904 1.00 62.11 C ATOM 1844 CG LEU A 112 -3.819 1.051 -6.315 1.00 62.01 C ATOM 1845 CD1 LEU A 112 -3.020 0.562 -5.109 1.00 5.22 C ATOM 1846 CD2 LEU A 112 -3.795 0.015 -7.437 1.00 33.42 C ATOM 0 H LEU A 112 -4.880 3.606 -6.942 1.00 42.02 H new ATOM 0 HA LEU A 112 -6.132 1.261 -7.867 1.00 54.05 H new ATOM 0 HB2 LEU A 112 -5.232 2.104 -5.089 1.00 62.11 H new ATOM 0 HB3 LEU A 112 -5.724 0.475 -5.510 1.00 62.11 H new ATOM 0 HG LEU A 112 -3.353 1.962 -6.690 1.00 62.01 H new ATOM 0 HD11 LEU A 112 -2.000 0.333 -5.417 1.00 5.22 H new ATOM 0 HD12 LEU A 112 -3.002 1.339 -4.345 1.00 5.22 H new ATOM 0 HD13 LEU A 112 -3.487 -0.335 -4.703 1.00 5.22 H new ATOM 0 HD21 LEU A 112 -2.762 -0.202 -7.710 1.00 33.42 H new ATOM 0 HD22 LEU A 112 -4.280 -0.900 -7.098 1.00 33.42 H new ATOM 0 HD23 LEU A 112 -4.325 0.406 -8.305 1.00 33.42 H new ATOM 1858 N SER A 113 -7.849 2.989 -5.603 1.00 74.04 N ATOM 1859 CA SER A 113 -9.196 3.240 -5.071 1.00 74.42 C ATOM 1860 C SER A 113 -10.212 3.476 -6.199 1.00 53.14 C ATOM 1861 O SER A 113 -11.309 2.913 -6.189 1.00 10.24 O ATOM 1862 CB SER A 113 -9.182 4.454 -4.128 1.00 33.10 C ATOM 1863 OG SER A 113 -10.445 4.635 -3.500 1.00 62.53 O ATOM 0 H SER A 113 -7.128 3.598 -5.217 1.00 74.04 H new ATOM 0 HA SER A 113 -9.500 2.352 -4.516 1.00 74.42 H new ATOM 0 HB2 SER A 113 -8.412 4.318 -3.369 1.00 33.10 H new ATOM 0 HB3 SER A 113 -8.921 5.351 -4.690 1.00 33.10 H new ATOM 0 HG SER A 113 -10.406 5.413 -2.905 1.00 62.53 H new ATOM 1869 N GLN A 114 -9.837 4.306 -7.178 1.00 11.25 N ATOM 1870 CA GLN A 114 -10.713 4.589 -8.322 1.00 75.44 C ATOM 1871 C GLN A 114 -11.086 3.304 -9.067 1.00 35.14 C ATOM 1872 O GLN A 114 -12.243 2.893 -9.067 1.00 74.32 O ATOM 1873 CB GLN A 114 -10.041 5.569 -9.296 1.00 24.13 C ATOM 1874 CG GLN A 114 -9.676 6.915 -8.675 1.00 14.32 C ATOM 1875 CD GLN A 114 -10.873 7.633 -8.071 1.00 30.45 C ATOM 1876 OE1 GLN A 114 -12.005 7.475 -8.523 1.00 32.03 O ATOM 1877 NE2 GLN A 114 -10.638 8.427 -7.047 1.00 64.52 N ATOM 0 H GLN A 114 -8.940 4.791 -7.203 1.00 11.25 H new ATOM 0 HA GLN A 114 -11.623 5.043 -7.929 1.00 75.44 H new ATOM 0 HB2 GLN A 114 -9.137 5.107 -9.693 1.00 24.13 H new ATOM 0 HB3 GLN A 114 -10.709 5.740 -10.141 1.00 24.13 H new ATOM 0 HG2 GLN A 114 -8.923 6.760 -7.902 1.00 14.32 H new ATOM 0 HG3 GLN A 114 -9.224 7.550 -9.437 1.00 14.32 H new ATOM 0 HE21 GLN A 114 -9.687 8.537 -6.695 1.00 64.52 H new ATOM 0 HE22 GLN A 114 -11.407 8.932 -6.606 1.00 64.52 H new ATOM 1886 N THR A 115 -10.087 2.655 -9.666 1.00 11.02 N ATOM 1887 CA THR A 115 -10.313 1.433 -10.456 1.00 0.20 C ATOM 1888 C THR A 115 -11.041 0.351 -9.648 1.00 53.13 C ATOM 1889 O THR A 115 -11.973 -0.281 -10.144 1.00 53.24 O ATOM 1890 CB THR A 115 -8.982 0.853 -10.988 1.00 15.24 C ATOM 1891 OG1 THR A 115 -8.076 0.609 -9.900 1.00 41.22 O ATOM 1892 CG2 THR A 115 -8.332 1.801 -11.987 1.00 35.54 C ATOM 0 H THR A 115 -9.112 2.951 -9.622 1.00 11.02 H new ATOM 0 HA THR A 115 -10.943 1.726 -11.296 1.00 0.20 H new ATOM 0 HB THR A 115 -9.205 -0.087 -11.493 1.00 15.24 H new ATOM 0 HG1 THR A 115 -7.715 1.461 -9.577 1.00 41.22 H new ATOM 0 HG21 THR A 115 -7.398 1.368 -12.345 1.00 35.54 H new ATOM 0 HG22 THR A 115 -9.005 1.959 -12.830 1.00 35.54 H new ATOM 0 HG23 THR A 115 -8.127 2.756 -11.502 1.00 35.54 H new ATOM 1900 N SER A 116 -10.613 0.150 -8.402 1.00 61.30 N ATOM 1901 CA SER A 116 -11.265 -0.806 -7.492 1.00 34.33 C ATOM 1902 C SER A 116 -12.780 -0.577 -7.426 1.00 33.04 C ATOM 1903 O SER A 116 -13.574 -1.508 -7.590 1.00 53.51 O ATOM 1904 CB SER A 116 -10.668 -0.688 -6.083 1.00 12.22 C ATOM 1905 OG SER A 116 -11.325 -1.549 -5.166 1.00 21.13 O ATOM 0 H SER A 116 -9.815 0.636 -7.994 1.00 61.30 H new ATOM 0 HA SER A 116 -11.087 -1.807 -7.884 1.00 34.33 H new ATOM 0 HB2 SER A 116 -9.606 -0.931 -6.115 1.00 12.22 H new ATOM 0 HB3 SER A 116 -10.749 0.343 -5.738 1.00 12.22 H new ATOM 0 HG SER A 116 -10.921 -1.452 -4.279 1.00 21.13 H new ATOM 1911 N HIS A 117 -13.179 0.675 -7.203 1.00 24.24 N ATOM 1912 CA HIS A 117 -14.596 1.026 -7.124 1.00 73.32 C ATOM 1913 C HIS A 117 -15.280 0.986 -8.501 1.00 40.23 C ATOM 1914 O HIS A 117 -16.400 0.498 -8.616 1.00 3.14 O ATOM 1915 CB HIS A 117 -14.775 2.399 -6.467 1.00 41.51 C ATOM 1916 CG HIS A 117 -14.579 2.371 -4.981 1.00 71.04 C ATOM 1917 ND1 HIS A 117 -13.455 2.371 -4.223 1.00 32.01 N flip ATOM 1918 CD2 HIS A 117 -15.630 2.322 -4.093 1.00 55.42 C flip ATOM 1919 CE1 HIS A 117 -13.852 2.322 -2.910 1.00 33.02 C flip ATOM 1920 NE2 HIS A 117 -15.166 2.294 -2.863 1.00 0.33 N flip ATOM 0 H HIS A 117 -12.542 1.461 -7.074 1.00 24.24 H new ATOM 0 HA HIS A 117 -15.083 0.274 -6.503 1.00 73.32 H new ATOM 0 HB2 HIS A 117 -14.067 3.101 -6.908 1.00 41.51 H new ATOM 0 HB3 HIS A 117 -15.774 2.773 -6.688 1.00 41.51 H new ATOM 0 HD1 HIS A 117 -12.494 2.402 -4.564 1.00 32.01 H new ATOM 0 HD2 HIS A 117 -16.675 2.309 -4.365 1.00 55.42 H new ATOM 0 HE1 HIS A 117 -13.193 2.309 -2.055 1.00 33.02 H new ATOM 1929 N ASP A 118 -14.604 1.471 -9.544 1.00 43.54 N ATOM 1930 CA ASP A 118 -15.173 1.460 -10.898 1.00 11.43 C ATOM 1931 C ASP A 118 -15.536 0.030 -11.336 1.00 33.20 C ATOM 1932 O ASP A 118 -16.594 -0.201 -11.933 1.00 3.53 O ATOM 1933 CB ASP A 118 -14.203 2.094 -11.908 1.00 43.23 C ATOM 1934 CG ASP A 118 -14.071 3.601 -11.736 1.00 52.53 C ATOM 1935 OD1 ASP A 118 -15.096 4.306 -11.830 1.00 73.23 O ATOM 1936 OD2 ASP A 118 -12.945 4.093 -11.520 1.00 74.34 O ATOM 0 H ASP A 118 -13.669 1.874 -9.481 1.00 43.54 H new ATOM 0 HA ASP A 118 -16.086 2.054 -10.875 1.00 11.43 H new ATOM 0 HB2 ASP A 118 -13.221 1.634 -11.799 1.00 43.23 H new ATOM 0 HB3 ASP A 118 -14.547 1.877 -12.919 1.00 43.23 H new ATOM 1941 N LEU A 119 -14.664 -0.928 -11.027 1.00 31.01 N ATOM 1942 CA LEU A 119 -14.938 -2.341 -11.312 1.00 35.03 C ATOM 1943 C LEU A 119 -16.097 -2.858 -10.442 1.00 33.11 C ATOM 1944 O LEU A 119 -16.915 -3.669 -10.885 1.00 33.33 O ATOM 1945 CB LEU A 119 -13.682 -3.194 -11.079 1.00 73.33 C ATOM 1946 CG LEU A 119 -12.453 -2.808 -11.924 1.00 21.31 C ATOM 1947 CD1 LEU A 119 -11.271 -3.729 -11.620 1.00 14.04 C ATOM 1948 CD2 LEU A 119 -12.795 -2.830 -13.413 1.00 25.35 C ATOM 0 H LEU A 119 -13.763 -0.755 -10.580 1.00 31.01 H new ATOM 0 HA LEU A 119 -15.227 -2.423 -12.360 1.00 35.03 H new ATOM 0 HB2 LEU A 119 -13.411 -3.131 -10.025 1.00 73.33 H new ATOM 0 HB3 LEU A 119 -13.929 -4.236 -11.283 1.00 73.33 H new ATOM 0 HG LEU A 119 -12.162 -1.792 -11.658 1.00 21.31 H new ATOM 0 HD11 LEU A 119 -10.416 -3.436 -12.229 1.00 14.04 H new ATOM 0 HD12 LEU A 119 -11.010 -3.649 -10.565 1.00 14.04 H new ATOM 0 HD13 LEU A 119 -11.544 -4.759 -11.849 1.00 14.04 H new ATOM 0 HD21 LEU A 119 -11.914 -2.555 -13.993 1.00 25.35 H new ATOM 0 HD22 LEU A 119 -13.118 -3.831 -13.697 1.00 25.35 H new ATOM 0 HD23 LEU A 119 -13.597 -2.120 -13.613 1.00 25.35 H new ATOM 1960 N ASN A 120 -16.165 -2.378 -9.201 1.00 43.12 N ATOM 1961 CA ASN A 120 -17.261 -2.727 -8.291 1.00 32.34 C ATOM 1962 C ASN A 120 -18.602 -2.189 -8.819 1.00 52.21 C ATOM 1963 O ASN A 120 -19.630 -2.863 -8.737 1.00 33.52 O ATOM 1964 CB ASN A 120 -16.983 -2.169 -6.888 1.00 5.24 C ATOM 1965 CG ASN A 120 -18.075 -2.516 -5.891 1.00 64.52 C ATOM 1966 OD1 ASN A 120 -18.711 -3.558 -5.983 1.00 53.34 O ATOM 1967 ND2 ASN A 120 -18.297 -1.647 -4.928 1.00 1.31 N ATOM 0 H ASN A 120 -15.473 -1.745 -8.800 1.00 43.12 H new ATOM 0 HA ASN A 120 -17.326 -3.814 -8.234 1.00 32.34 H new ATOM 0 HB2 ASN A 120 -16.031 -2.560 -6.528 1.00 5.24 H new ATOM 0 HB3 ASN A 120 -16.881 -1.085 -6.946 1.00 5.24 H new ATOM 0 HD21 ASN A 120 -19.017 -1.832 -4.230 1.00 1.31 H new ATOM 0 HD22 ASN A 120 -17.749 -0.788 -4.880 1.00 1.31 H new ATOM 1974 N GLU A 121 -18.581 -0.979 -9.378 1.00 2.11 N ATOM 1975 CA GLU A 121 -19.792 -0.345 -9.913 1.00 21.41 C ATOM 1976 C GLU A 121 -20.319 -1.083 -11.151 1.00 42.44 C ATOM 1977 O GLU A 121 -21.521 -1.073 -11.427 1.00 31.44 O ATOM 1978 CB GLU A 121 -19.529 1.123 -10.258 1.00 73.42 C ATOM 1979 CG GLU A 121 -19.036 1.953 -9.079 1.00 31.55 C ATOM 1980 CD GLU A 121 -19.008 3.440 -9.382 1.00 53.23 C ATOM 1981 OE1 GLU A 121 -18.277 3.847 -10.300 1.00 44.42 O ATOM 1982 OE2 GLU A 121 -19.710 4.212 -8.694 1.00 52.31 O ATOM 0 H GLU A 121 -17.737 -0.414 -9.474 1.00 2.11 H new ATOM 0 HA GLU A 121 -20.553 -0.399 -9.135 1.00 21.41 H new ATOM 0 HB2 GLU A 121 -18.791 1.172 -11.059 1.00 73.42 H new ATOM 0 HB3 GLU A 121 -20.447 1.566 -10.644 1.00 73.42 H new ATOM 0 HG2 GLU A 121 -19.681 1.774 -8.219 1.00 31.55 H new ATOM 0 HG3 GLU A 121 -18.035 1.624 -8.801 1.00 31.55 H new ATOM 1989 N CYS A 122 -19.415 -1.710 -11.903 1.00 3.41 N ATOM 1990 CA CYS A 122 -19.810 -2.557 -13.038 1.00 53.44 C ATOM 1991 C CYS A 122 -19.993 -4.018 -12.592 1.00 11.23 C ATOM 1992 O CYS A 122 -20.164 -4.917 -13.418 1.00 44.04 O ATOM 1993 CB CYS A 122 -18.774 -2.471 -14.170 1.00 34.50 C ATOM 1994 SG CYS A 122 -17.112 -2.996 -13.703 1.00 43.44 S ATOM 0 H CYS A 122 -18.408 -1.651 -11.751 1.00 3.41 H new ATOM 0 HA CYS A 122 -20.764 -2.189 -13.415 1.00 53.44 H new ATOM 0 HB2 CYS A 122 -19.114 -3.084 -15.004 1.00 34.50 H new ATOM 0 HB3 CYS A 122 -18.730 -1.442 -14.528 1.00 34.50 H new ATOM 0 HG CYS A 122 -17.151 -3.576 -12.540 1.00 43.44 H new ATOM 2000 N SER A 123 -19.945 -4.236 -11.273 1.00 50.13 N ATOM 2001 CA SER A 123 -20.194 -5.555 -10.658 1.00 32.20 C ATOM 2002 C SER A 123 -19.226 -6.641 -11.159 1.00 41.42 C ATOM 2003 O SER A 123 -19.510 -7.836 -11.037 1.00 41.04 O ATOM 2004 CB SER A 123 -21.647 -5.998 -10.906 1.00 43.34 C ATOM 2005 OG SER A 123 -21.931 -7.230 -10.254 1.00 35.21 O ATOM 0 H SER A 123 -19.732 -3.504 -10.596 1.00 50.13 H new ATOM 0 HA SER A 123 -20.021 -5.436 -9.588 1.00 32.20 H new ATOM 0 HB2 SER A 123 -22.330 -5.228 -10.547 1.00 43.34 H new ATOM 0 HB3 SER A 123 -21.820 -6.103 -11.977 1.00 43.34 H new ATOM 0 HG SER A 123 -21.158 -7.827 -10.332 1.00 35.21 H new ATOM 2011 N TRP A 124 -18.074 -6.227 -11.697 1.00 51.52 N ATOM 2012 CA TRP A 124 -17.081 -7.171 -12.241 1.00 70.12 C ATOM 2013 C TRP A 124 -17.695 -8.085 -13.320 1.00 22.20 C ATOM 2014 O TRP A 124 -17.288 -9.237 -13.485 1.00 41.43 O ATOM 2015 CB TRP A 124 -16.472 -8.014 -11.108 1.00 14.41 C ATOM 2016 CG TRP A 124 -15.593 -7.225 -10.184 1.00 11.00 C ATOM 2017 CD1 TRP A 124 -15.984 -6.329 -9.229 1.00 41.12 C ATOM 2018 CD2 TRP A 124 -14.165 -7.264 -10.134 1.00 61.21 C ATOM 2019 NE1 TRP A 124 -14.884 -5.810 -8.592 1.00 73.41 N ATOM 2020 CE2 TRP A 124 -13.755 -6.365 -9.132 1.00 10.12 C ATOM 2021 CE3 TRP A 124 -13.195 -7.972 -10.845 1.00 55.55 C ATOM 2022 CZ2 TRP A 124 -12.415 -6.161 -8.822 1.00 74.25 C ATOM 2023 CZ3 TRP A 124 -11.866 -7.768 -10.538 1.00 14.13 C ATOM 2024 CH2 TRP A 124 -11.486 -6.866 -9.537 1.00 32.23 C ATOM 0 H TRP A 124 -17.803 -5.246 -11.769 1.00 51.52 H new ATOM 0 HA TRP A 124 -16.292 -6.587 -12.715 1.00 70.12 H new ATOM 0 HB2 TRP A 124 -17.277 -8.469 -10.531 1.00 14.41 H new ATOM 0 HB3 TRP A 124 -15.892 -8.828 -11.543 1.00 14.41 H new ATOM 0 HD1 TRP A 124 -17.008 -6.067 -9.008 1.00 41.12 H new ATOM 0 HE1 TRP A 124 -14.905 -5.123 -7.839 1.00 73.41 H new ATOM 0 HE3 TRP A 124 -13.480 -8.667 -11.621 1.00 55.55 H new ATOM 0 HZ2 TRP A 124 -12.119 -5.471 -8.045 1.00 74.25 H new ATOM 0 HZ3 TRP A 124 -11.106 -8.313 -11.079 1.00 14.13 H new ATOM 0 HH2 TRP A 124 -10.437 -6.724 -9.325 1.00 32.23 H new ATOM 2035 N SER A 125 -18.665 -7.550 -14.060 1.00 10.54 N ATOM 2036 CA SER A 125 -19.356 -8.303 -15.118 1.00 22.11 C ATOM 2037 C SER A 125 -18.373 -8.916 -16.132 1.00 75.04 C ATOM 2038 O SER A 125 -17.640 -8.199 -16.820 1.00 62.43 O ATOM 2039 CB SER A 125 -20.358 -7.401 -15.855 1.00 1.44 C ATOM 2040 OG SER A 125 -21.362 -6.921 -14.976 1.00 32.54 O ATOM 0 H SER A 125 -18.995 -6.591 -13.949 1.00 10.54 H new ATOM 0 HA SER A 125 -19.888 -9.120 -14.630 1.00 22.11 H new ATOM 0 HB2 SER A 125 -19.831 -6.559 -16.303 1.00 1.44 H new ATOM 0 HB3 SER A 125 -20.821 -7.958 -16.670 1.00 1.44 H new ATOM 0 HG SER A 125 -20.989 -6.216 -14.407 1.00 32.54 H new ATOM 2046 N LEU A 126 -18.381 -10.246 -16.228 1.00 43.22 N ATOM 2047 CA LEU A 126 -17.499 -10.974 -17.157 1.00 14.11 C ATOM 2048 C LEU A 126 -17.696 -10.504 -18.611 1.00 43.44 C ATOM 2049 O LEU A 126 -16.779 -10.581 -19.430 1.00 63.02 O ATOM 2050 CB LEU A 126 -17.753 -12.490 -17.062 1.00 61.24 C ATOM 2051 CG LEU A 126 -17.252 -13.197 -15.785 1.00 41.34 C ATOM 2052 CD1 LEU A 126 -15.741 -13.051 -15.642 1.00 73.24 C ATOM 2053 CD2 LEU A 126 -17.975 -12.679 -14.541 1.00 23.21 C ATOM 0 H LEU A 126 -18.989 -10.848 -15.673 1.00 43.22 H new ATOM 0 HA LEU A 126 -16.470 -10.760 -16.867 1.00 14.11 H new ATOM 0 HB2 LEU A 126 -18.826 -12.661 -17.147 1.00 61.24 H new ATOM 0 HB3 LEU A 126 -17.284 -12.968 -17.922 1.00 61.24 H new ATOM 0 HG LEU A 126 -17.482 -14.258 -15.880 1.00 41.34 H new ATOM 0 HD11 LEU A 126 -15.411 -13.557 -14.735 1.00 73.24 H new ATOM 0 HD12 LEU A 126 -15.249 -13.497 -16.506 1.00 73.24 H new ATOM 0 HD13 LEU A 126 -15.482 -11.994 -15.583 1.00 73.24 H new ATOM 0 HD21 LEU A 126 -17.599 -13.197 -13.659 1.00 23.21 H new ATOM 0 HD22 LEU A 126 -17.797 -11.609 -14.436 1.00 23.21 H new ATOM 0 HD23 LEU A 126 -19.045 -12.861 -14.640 1.00 23.21 H new ATOM 2065 N ASN A 127 -18.900 -10.016 -18.906 1.00 61.10 N ATOM 2066 CA ASN A 127 -19.242 -9.477 -20.229 1.00 41.33 C ATOM 2067 C ASN A 127 -18.289 -8.342 -20.650 1.00 32.45 C ATOM 2068 O ASN A 127 -18.036 -8.135 -21.834 1.00 72.43 O ATOM 2069 CB ASN A 127 -20.678 -8.947 -20.203 1.00 41.15 C ATOM 2070 CG ASN A 127 -21.671 -9.992 -19.731 1.00 0.25 C ATOM 2071 OD1 ASN A 127 -21.874 -10.171 -18.535 1.00 41.43 O ATOM 2072 ND2 ASN A 127 -22.311 -10.674 -20.657 1.00 64.30 N ATOM 0 H ASN A 127 -19.669 -9.981 -18.237 1.00 61.10 H new ATOM 0 HA ASN A 127 -19.144 -10.284 -20.955 1.00 41.33 H new ATOM 0 HB2 ASN A 127 -20.730 -8.078 -19.547 1.00 41.15 H new ATOM 0 HB3 ASN A 127 -20.956 -8.610 -21.202 1.00 41.15 H new ATOM 0 HD21 ASN A 127 -23.000 -11.376 -20.388 1.00 64.30 H new ATOM 0 HD22 ASN A 127 -22.118 -10.500 -21.643 1.00 64.30 H new ATOM 2079 N ILE A 128 -17.785 -7.594 -19.670 1.00 33.44 N ATOM 2080 CA ILE A 128 -16.864 -6.482 -19.939 1.00 24.50 C ATOM 2081 C ILE A 128 -15.398 -6.898 -19.719 1.00 53.03 C ATOM 2082 O ILE A 128 -14.516 -6.527 -20.491 1.00 22.00 O ATOM 2083 CB ILE A 128 -17.180 -5.235 -19.052 1.00 21.24 C ATOM 2084 CG1 ILE A 128 -18.546 -4.611 -19.418 1.00 51.34 C ATOM 2085 CG2 ILE A 128 -16.074 -4.184 -19.172 1.00 11.11 C ATOM 2086 CD1 ILE A 128 -19.745 -5.446 -19.018 1.00 72.50 C ATOM 0 H ILE A 128 -17.996 -7.735 -18.682 1.00 33.44 H new ATOM 0 HA ILE A 128 -17.008 -6.214 -20.986 1.00 24.50 H new ATOM 0 HB ILE A 128 -17.228 -5.577 -18.018 1.00 21.24 H new ATOM 0 HG12 ILE A 128 -18.624 -3.634 -18.941 1.00 51.34 H new ATOM 0 HG13 ILE A 128 -18.578 -4.444 -20.495 1.00 51.34 H new ATOM 0 HG21 ILE A 128 -16.318 -3.326 -18.545 1.00 11.11 H new ATOM 0 HG22 ILE A 128 -15.127 -4.614 -18.846 1.00 11.11 H new ATOM 0 HG23 ILE A 128 -15.989 -3.862 -20.210 1.00 11.11 H new ATOM 0 HD11 ILE A 128 -20.660 -4.933 -19.313 1.00 72.50 H new ATOM 0 HD12 ILE A 128 -19.696 -6.415 -19.515 1.00 72.50 H new ATOM 0 HD13 ILE A 128 -19.743 -5.592 -17.938 1.00 72.50 H new ATOM 2098 N LEU A 129 -15.149 -7.670 -18.660 1.00 15.15 N ATOM 2099 CA LEU A 129 -13.778 -8.052 -18.284 1.00 12.31 C ATOM 2100 C LEU A 129 -13.217 -9.188 -19.158 1.00 54.23 C ATOM 2101 O LEU A 129 -12.214 -9.009 -19.845 1.00 60.53 O ATOM 2102 CB LEU A 129 -13.734 -8.461 -16.803 1.00 12.23 C ATOM 2103 CG LEU A 129 -14.136 -7.367 -15.801 1.00 3.52 C ATOM 2104 CD1 LEU A 129 -14.042 -7.890 -14.371 1.00 43.13 C ATOM 2105 CD2 LEU A 129 -13.266 -6.124 -15.976 1.00 21.55 C ATOM 0 H LEU A 129 -15.873 -8.044 -18.047 1.00 15.15 H new ATOM 0 HA LEU A 129 -13.147 -7.179 -18.448 1.00 12.31 H new ATOM 0 HB2 LEU A 129 -14.392 -9.318 -16.661 1.00 12.23 H new ATOM 0 HB3 LEU A 129 -12.723 -8.793 -16.566 1.00 12.23 H new ATOM 0 HG LEU A 129 -15.171 -7.088 -15.999 1.00 3.52 H new ATOM 0 HD11 LEU A 129 -14.330 -7.102 -13.676 1.00 43.13 H new ATOM 0 HD12 LEU A 129 -14.711 -8.742 -14.251 1.00 43.13 H new ATOM 0 HD13 LEU A 129 -13.018 -8.200 -14.164 1.00 43.13 H new ATOM 0 HD21 LEU A 129 -13.569 -5.364 -15.256 1.00 21.55 H new ATOM 0 HD22 LEU A 129 -12.221 -6.385 -15.810 1.00 21.55 H new ATOM 0 HD23 LEU A 129 -13.386 -5.735 -16.987 1.00 21.55 H new ATOM 2117 N ALA A 130 -13.867 -10.352 -19.129 1.00 51.22 N ATOM 2118 CA ALA A 130 -13.362 -11.535 -19.841 1.00 13.32 C ATOM 2119 C ALA A 130 -13.567 -11.424 -21.361 1.00 4.14 C ATOM 2120 O ALA A 130 -12.641 -11.643 -22.146 1.00 24.54 O ATOM 2121 CB ALA A 130 -14.034 -12.791 -19.303 1.00 40.15 C ATOM 0 H ALA A 130 -14.740 -10.505 -18.624 1.00 51.22 H new ATOM 0 HA ALA A 130 -12.288 -11.596 -19.665 1.00 13.32 H new ATOM 0 HB1 ALA A 130 -13.655 -13.663 -19.835 1.00 40.15 H new ATOM 0 HB2 ALA A 130 -13.817 -12.893 -18.240 1.00 40.15 H new ATOM 0 HB3 ALA A 130 -15.112 -12.718 -19.448 1.00 40.15 H new ATOM 2272 N ASP A 140 -8.631 -1.011 -17.308 1.00 20.23 N ATOM 2273 CA ASP A 140 -8.507 -0.659 -15.889 1.00 51.32 C ATOM 2274 C ASP A 140 -8.174 -1.876 -15.009 1.00 61.44 C ATOM 2275 O ASP A 140 -7.512 -1.744 -13.979 1.00 4.44 O ATOM 2276 CB ASP A 140 -9.804 0.002 -15.420 1.00 72.21 C ATOM 2277 CG ASP A 140 -10.178 1.174 -16.309 1.00 11.20 C ATOM 2278 OD1 ASP A 140 -9.746 2.307 -16.017 1.00 14.22 O ATOM 2279 OD2 ASP A 140 -10.878 0.956 -17.322 1.00 5.43 O ATOM 0 HA ASP A 140 -7.675 0.037 -15.786 1.00 51.32 H new ATOM 0 HB2 ASP A 140 -10.610 -0.731 -15.423 1.00 72.21 H new ATOM 0 HB3 ASP A 140 -9.689 0.345 -14.392 1.00 72.21 H new ATOM 2284 N LEU A 141 -8.625 -3.054 -15.433 1.00 41.44 N ATOM 2285 CA LEU A 141 -8.323 -4.299 -14.721 1.00 0.34 C ATOM 2286 C LEU A 141 -6.802 -4.497 -14.586 1.00 3.24 C ATOM 2287 O LEU A 141 -6.302 -4.820 -13.508 1.00 73.45 O ATOM 2288 CB LEU A 141 -8.966 -5.487 -15.451 1.00 65.23 C ATOM 2289 CG LEU A 141 -8.850 -6.848 -14.742 1.00 40.04 C ATOM 2290 CD1 LEU A 141 -9.436 -6.784 -13.331 1.00 44.23 C ATOM 2291 CD2 LEU A 141 -9.543 -7.938 -15.558 1.00 44.42 C ATOM 0 H LEU A 141 -9.201 -3.176 -16.266 1.00 41.44 H new ATOM 0 HA LEU A 141 -8.741 -4.238 -13.716 1.00 0.34 H new ATOM 0 HB2 LEU A 141 -10.022 -5.267 -15.604 1.00 65.23 H new ATOM 0 HB3 LEU A 141 -8.512 -5.572 -16.438 1.00 65.23 H new ATOM 0 HG LEU A 141 -7.792 -7.095 -14.658 1.00 40.04 H new ATOM 0 HD11 LEU A 141 -9.341 -7.759 -12.853 1.00 44.23 H new ATOM 0 HD12 LEU A 141 -8.896 -6.039 -12.746 1.00 44.23 H new ATOM 0 HD13 LEU A 141 -10.489 -6.508 -13.387 1.00 44.23 H new ATOM 0 HD21 LEU A 141 -9.451 -8.893 -15.041 1.00 44.42 H new ATOM 0 HD22 LEU A 141 -10.598 -7.689 -15.676 1.00 44.42 H new ATOM 0 HD23 LEU A 141 -9.076 -8.010 -16.540 1.00 44.42 H new ATOM 2303 N ASP A 142 -6.070 -4.278 -15.680 1.00 42.32 N ATOM 2304 CA ASP A 142 -4.603 -4.312 -15.645 1.00 25.34 C ATOM 2305 C ASP A 142 -4.039 -3.147 -14.823 1.00 10.04 C ATOM 2306 O ASP A 142 -3.099 -3.328 -14.047 1.00 62.12 O ATOM 2307 CB ASP A 142 -4.017 -4.275 -17.061 1.00 34.13 C ATOM 2308 CG ASP A 142 -4.007 -5.639 -17.719 1.00 11.23 C ATOM 2309 OD1 ASP A 142 -3.269 -6.526 -17.228 1.00 15.35 O ATOM 2310 OD2 ASP A 142 -4.718 -5.831 -18.723 1.00 31.41 O ATOM 0 H ASP A 142 -6.465 -4.076 -16.598 1.00 42.32 H new ATOM 0 HA ASP A 142 -4.314 -5.248 -15.168 1.00 25.34 H new ATOM 0 HB2 ASP A 142 -4.597 -3.584 -17.673 1.00 34.13 H new ATOM 0 HB3 ASP A 142 -2.999 -3.887 -17.020 1.00 34.13 H new ATOM 2315 N ARG A 143 -4.626 -1.955 -14.996 1.00 33.01 N ATOM 2316 CA ARG A 143 -4.150 -0.749 -14.301 1.00 35.52 C ATOM 2317 C ARG A 143 -4.040 -0.987 -12.788 1.00 23.54 C ATOM 2318 O ARG A 143 -3.039 -0.630 -12.168 1.00 71.24 O ATOM 2319 CB ARG A 143 -5.084 0.450 -14.558 1.00 15.45 C ATOM 2320 CG ARG A 143 -4.449 1.801 -14.210 1.00 62.33 C ATOM 2321 CD ARG A 143 -5.481 2.862 -13.814 1.00 32.23 C ATOM 2322 NE ARG A 143 -6.565 3.016 -14.791 1.00 44.23 N ATOM 2323 CZ ARG A 143 -6.713 4.057 -15.569 1.00 42.24 C ATOM 2324 NH1 ARG A 143 -5.807 4.979 -15.617 1.00 2.03 N ATOM 2325 NH2 ARG A 143 -7.761 4.164 -16.316 1.00 64.53 N ATOM 0 H ARG A 143 -5.427 -1.799 -15.608 1.00 33.01 H new ATOM 0 HA ARG A 143 -3.161 -0.522 -14.700 1.00 35.52 H new ATOM 0 HB2 ARG A 143 -5.377 0.454 -15.608 1.00 15.45 H new ATOM 0 HB3 ARG A 143 -5.995 0.324 -13.973 1.00 15.45 H new ATOM 0 HG2 ARG A 143 -3.743 1.664 -13.391 1.00 62.33 H new ATOM 0 HG3 ARG A 143 -3.878 2.159 -15.066 1.00 62.33 H new ATOM 0 HD2 ARG A 143 -5.909 2.598 -12.847 1.00 32.23 H new ATOM 0 HD3 ARG A 143 -4.976 3.820 -13.689 1.00 32.23 H new ATOM 0 HE ARG A 143 -7.248 2.262 -14.868 1.00 44.23 H new ATOM 0 HH11 ARG A 143 -4.967 4.899 -15.045 1.00 2.03 H new ATOM 0 HH12 ARG A 143 -5.933 5.786 -16.227 1.00 2.03 H new ATOM 0 HH21 ARG A 143 -8.475 3.436 -16.300 1.00 64.53 H new ATOM 0 HH22 ARG A 143 -7.875 4.977 -16.922 1.00 64.53 H new ATOM 2339 N PHE A 144 -5.071 -1.591 -12.199 1.00 53.34 N ATOM 2340 CA PHE A 144 -5.062 -1.893 -10.765 1.00 2.10 C ATOM 2341 C PHE A 144 -3.966 -2.913 -10.414 1.00 73.14 C ATOM 2342 O PHE A 144 -3.183 -2.695 -9.497 1.00 0.53 O ATOM 2343 CB PHE A 144 -6.431 -2.418 -10.301 1.00 13.44 C ATOM 2344 CG PHE A 144 -6.499 -2.684 -8.811 1.00 44.53 C ATOM 2345 CD1 PHE A 144 -6.160 -3.928 -8.293 1.00 55.05 C ATOM 2346 CD2 PHE A 144 -6.888 -1.684 -7.930 1.00 14.23 C ATOM 2347 CE1 PHE A 144 -6.208 -4.166 -6.933 1.00 15.10 C ATOM 2348 CE2 PHE A 144 -6.939 -1.919 -6.568 1.00 64.41 C ATOM 2349 CZ PHE A 144 -6.597 -3.160 -6.070 1.00 3.13 C ATOM 0 H PHE A 144 -5.919 -1.880 -12.687 1.00 53.34 H new ATOM 0 HA PHE A 144 -4.848 -0.961 -10.242 1.00 2.10 H new ATOM 0 HB2 PHE A 144 -7.200 -1.693 -10.569 1.00 13.44 H new ATOM 0 HB3 PHE A 144 -6.660 -3.339 -10.838 1.00 13.44 H new ATOM 0 HD1 PHE A 144 -5.855 -4.719 -8.962 1.00 55.05 H new ATOM 0 HD2 PHE A 144 -7.154 -0.710 -8.313 1.00 14.23 H new ATOM 0 HE1 PHE A 144 -5.942 -5.138 -6.545 1.00 15.10 H new ATOM 0 HE2 PHE A 144 -7.246 -1.132 -5.895 1.00 64.41 H new ATOM 0 HZ PHE A 144 -6.634 -3.344 -5.006 1.00 3.13 H new ATOM 2359 N VAL A 145 -3.914 -4.022 -11.156 1.00 34.24 N ATOM 2360 CA VAL A 145 -2.967 -5.110 -10.864 1.00 32.23 C ATOM 2361 C VAL A 145 -1.499 -4.648 -10.943 1.00 44.10 C ATOM 2362 O VAL A 145 -0.737 -4.810 -9.984 1.00 33.45 O ATOM 2363 CB VAL A 145 -3.176 -6.314 -11.823 1.00 25.03 C ATOM 2364 CG1 VAL A 145 -2.173 -7.431 -11.527 1.00 21.13 C ATOM 2365 CG2 VAL A 145 -4.608 -6.836 -11.729 1.00 45.21 C ATOM 0 H VAL A 145 -4.514 -4.194 -11.963 1.00 34.24 H new ATOM 0 HA VAL A 145 -3.173 -5.422 -9.840 1.00 32.23 H new ATOM 0 HB VAL A 145 -3.003 -5.967 -12.842 1.00 25.03 H new ATOM 0 HG11 VAL A 145 -2.341 -8.262 -12.212 1.00 21.13 H new ATOM 0 HG12 VAL A 145 -1.159 -7.053 -11.657 1.00 21.13 H new ATOM 0 HG13 VAL A 145 -2.304 -7.775 -10.501 1.00 21.13 H new ATOM 0 HG21 VAL A 145 -4.733 -7.679 -12.409 1.00 45.21 H new ATOM 0 HG22 VAL A 145 -4.811 -7.159 -10.708 1.00 45.21 H new ATOM 0 HG23 VAL A 145 -5.303 -6.043 -12.003 1.00 45.21 H new ATOM 2375 N MET A 146 -1.108 -4.065 -12.081 1.00 50.25 N ATOM 2376 CA MET A 146 0.281 -3.628 -12.294 1.00 20.24 C ATOM 2377 C MET A 146 0.747 -2.659 -11.195 1.00 71.21 C ATOM 2378 O MET A 146 1.884 -2.733 -10.725 1.00 1.00 O ATOM 2379 CB MET A 146 0.439 -2.972 -13.677 1.00 61.31 C ATOM 2380 CG MET A 146 -0.435 -1.739 -13.886 1.00 2.04 C ATOM 2381 SD MET A 146 -0.134 -0.920 -15.466 1.00 30.35 S ATOM 2382 CE MET A 146 1.540 -0.326 -15.230 1.00 73.24 C ATOM 0 H MET A 146 -1.730 -3.884 -12.869 1.00 50.25 H new ATOM 0 HA MET A 146 0.911 -4.517 -12.248 1.00 20.24 H new ATOM 0 HB2 MET A 146 1.483 -2.692 -13.817 1.00 61.31 H new ATOM 0 HB3 MET A 146 0.201 -3.707 -14.445 1.00 61.31 H new ATOM 0 HG2 MET A 146 -1.484 -2.030 -13.828 1.00 2.04 H new ATOM 0 HG3 MET A 146 -0.255 -1.032 -13.076 1.00 2.04 H new ATOM 0 HE1 MET A 146 1.749 0.467 -15.948 1.00 73.24 H new ATOM 0 HE2 MET A 146 1.649 0.063 -14.217 1.00 73.24 H new ATOM 0 HE3 MET A 146 2.242 -1.146 -15.381 1.00 73.24 H new ATOM 2392 N VAL A 147 -0.142 -1.761 -10.783 1.00 54.33 N ATOM 2393 CA VAL A 147 0.169 -0.787 -9.735 1.00 60.21 C ATOM 2394 C VAL A 147 0.120 -1.428 -8.336 1.00 41.23 C ATOM 2395 O VAL A 147 1.003 -1.209 -7.508 1.00 62.24 O ATOM 2396 CB VAL A 147 -0.803 0.419 -9.795 1.00 42.31 C ATOM 2397 CG1 VAL A 147 -0.510 1.414 -8.677 1.00 73.21 C ATOM 2398 CG2 VAL A 147 -0.720 1.104 -11.160 1.00 3.13 C ATOM 0 H VAL A 147 -1.087 -1.685 -11.158 1.00 54.33 H new ATOM 0 HA VAL A 147 1.184 -0.433 -9.915 1.00 60.21 H new ATOM 0 HB VAL A 147 -1.817 0.045 -9.655 1.00 42.31 H new ATOM 0 HG11 VAL A 147 -1.206 2.250 -8.742 1.00 73.21 H new ATOM 0 HG12 VAL A 147 -0.625 0.921 -7.712 1.00 73.21 H new ATOM 0 HG13 VAL A 147 0.511 1.783 -8.777 1.00 73.21 H new ATOM 0 HG21 VAL A 147 -1.409 1.949 -11.186 1.00 3.13 H new ATOM 0 HG22 VAL A 147 0.297 1.459 -11.327 1.00 3.13 H new ATOM 0 HG23 VAL A 147 -0.989 0.393 -11.941 1.00 3.13 H new ATOM 2408 N ALA A 148 -0.899 -2.244 -8.087 1.00 22.42 N ATOM 2409 CA ALA A 148 -1.075 -2.898 -6.783 1.00 22.22 C ATOM 2410 C ALA A 148 0.163 -3.710 -6.374 1.00 50.14 C ATOM 2411 O ALA A 148 0.535 -3.737 -5.203 1.00 13.32 O ATOM 2412 CB ALA A 148 -2.311 -3.790 -6.799 1.00 63.50 C ATOM 0 H ALA A 148 -1.621 -2.473 -8.770 1.00 22.42 H new ATOM 0 HA ALA A 148 -1.210 -2.112 -6.040 1.00 22.22 H new ATOM 0 HB1 ALA A 148 -2.428 -4.267 -5.826 1.00 63.50 H new ATOM 0 HB2 ALA A 148 -3.193 -3.186 -7.015 1.00 63.50 H new ATOM 0 HB3 ALA A 148 -2.198 -4.555 -7.567 1.00 63.50 H new ATOM 2418 N LYS A 149 0.807 -4.362 -7.344 1.00 41.42 N ATOM 2419 CA LYS A 149 1.977 -5.200 -7.057 1.00 14.03 C ATOM 2420 C LYS A 149 3.271 -4.377 -6.891 1.00 41.22 C ATOM 2421 O LYS A 149 4.219 -4.834 -6.249 1.00 42.03 O ATOM 2422 CB LYS A 149 2.158 -6.271 -8.144 1.00 14.14 C ATOM 2423 CG LYS A 149 2.492 -5.721 -9.526 1.00 53.11 C ATOM 2424 CD LYS A 149 2.621 -6.838 -10.562 1.00 63.41 C ATOM 2425 CE LYS A 149 3.693 -7.859 -10.177 1.00 14.33 C ATOM 2426 NZ LYS A 149 3.834 -8.932 -11.198 1.00 13.12 N ATOM 0 H LYS A 149 0.542 -4.328 -8.328 1.00 41.42 H new ATOM 0 HA LYS A 149 1.786 -5.689 -6.102 1.00 14.03 H new ATOM 0 HB2 LYS A 149 2.952 -6.952 -7.837 1.00 14.14 H new ATOM 0 HB3 LYS A 149 1.243 -6.859 -8.213 1.00 14.14 H new ATOM 0 HG2 LYS A 149 1.715 -5.023 -9.838 1.00 53.11 H new ATOM 0 HG3 LYS A 149 3.425 -5.159 -9.479 1.00 53.11 H new ATOM 0 HD2 LYS A 149 1.662 -7.344 -10.670 1.00 63.41 H new ATOM 0 HD3 LYS A 149 2.865 -6.405 -11.532 1.00 63.41 H new ATOM 0 HE2 LYS A 149 4.649 -7.351 -10.051 1.00 14.33 H new ATOM 0 HE3 LYS A 149 3.440 -8.305 -9.215 1.00 14.33 H new ATOM 0 HZ1 LYS A 149 4.570 -9.602 -10.898 1.00 13.12 H new ATOM 0 HZ2 LYS A 149 2.929 -9.435 -11.301 1.00 13.12 H new ATOM 0 HZ3 LYS A 149 4.101 -8.510 -12.110 1.00 13.12 H new ATOM 2440 N THR A 150 3.318 -3.165 -7.453 1.00 72.41 N ATOM 2441 CA THR A 150 4.497 -2.295 -7.276 1.00 44.23 C ATOM 2442 C THR A 150 4.414 -1.514 -5.956 1.00 32.32 C ATOM 2443 O THR A 150 5.433 -1.084 -5.422 1.00 34.23 O ATOM 2444 CB THR A 150 4.700 -1.297 -8.450 1.00 34.35 C ATOM 2445 OG1 THR A 150 5.973 -0.632 -8.329 1.00 13.15 O ATOM 2446 CG2 THR A 150 3.597 -0.244 -8.502 1.00 14.22 C ATOM 0 H THR A 150 2.573 -2.765 -8.024 1.00 72.41 H new ATOM 0 HA THR A 150 5.358 -2.964 -7.257 1.00 44.23 H new ATOM 0 HB THR A 150 4.666 -1.879 -9.371 1.00 34.35 H new ATOM 0 HG1 THR A 150 5.952 -0.022 -7.562 1.00 13.15 H new ATOM 0 HG21 THR A 150 3.779 0.432 -9.337 1.00 14.22 H new ATOM 0 HG22 THR A 150 2.632 -0.734 -8.635 1.00 14.22 H new ATOM 0 HG23 THR A 150 3.591 0.323 -7.571 1.00 14.22 H new ATOM 2454 N VAL A 151 3.196 -1.348 -5.426 1.00 34.04 N ATOM 2455 CA VAL A 151 2.992 -0.664 -4.138 1.00 44.50 C ATOM 2456 C VAL A 151 3.893 -1.240 -3.023 1.00 15.24 C ATOM 2457 O VAL A 151 4.638 -0.492 -2.393 1.00 64.52 O ATOM 2458 CB VAL A 151 1.505 -0.706 -3.684 1.00 32.23 C ATOM 2459 CG1 VAL A 151 1.342 -0.138 -2.274 1.00 12.22 C ATOM 2460 CG2 VAL A 151 0.619 0.050 -4.668 1.00 31.04 C ATOM 0 H VAL A 151 2.337 -1.676 -5.866 1.00 34.04 H new ATOM 0 HA VAL A 151 3.274 0.376 -4.305 1.00 44.50 H new ATOM 0 HB VAL A 151 1.192 -1.750 -3.667 1.00 32.23 H new ATOM 0 HG11 VAL A 151 0.292 -0.180 -1.984 1.00 12.22 H new ATOM 0 HG12 VAL A 151 1.936 -0.726 -1.574 1.00 12.22 H new ATOM 0 HG13 VAL A 151 1.681 0.898 -2.257 1.00 12.22 H new ATOM 0 HG21 VAL A 151 -0.417 0.008 -4.331 1.00 31.04 H new ATOM 0 HG22 VAL A 151 0.941 1.090 -4.723 1.00 31.04 H new ATOM 0 HG23 VAL A 151 0.699 -0.407 -5.654 1.00 31.04 H new ATOM 2470 N PRO A 152 3.859 -2.574 -2.759 1.00 74.41 N ATOM 2471 CA PRO A 152 4.739 -3.189 -1.749 1.00 72.24 C ATOM 2472 C PRO A 152 6.227 -3.078 -2.124 1.00 53.23 C ATOM 2473 O PRO A 152 7.086 -2.980 -1.252 1.00 10.12 O ATOM 2474 CB PRO A 152 4.289 -4.661 -1.720 1.00 35.41 C ATOM 2475 CG PRO A 152 3.637 -4.883 -3.042 1.00 30.42 C ATOM 2476 CD PRO A 152 2.981 -3.577 -3.396 1.00 33.53 C ATOM 0 HA PRO A 152 4.656 -2.693 -0.782 1.00 72.24 H new ATOM 0 HB2 PRO A 152 5.137 -5.332 -1.579 1.00 35.41 H new ATOM 0 HB3 PRO A 152 3.595 -4.847 -0.900 1.00 35.41 H new ATOM 0 HG2 PRO A 152 4.369 -5.171 -3.796 1.00 30.42 H new ATOM 0 HG3 PRO A 152 2.904 -5.687 -2.987 1.00 30.42 H new ATOM 0 HD2 PRO A 152 2.924 -3.435 -4.475 1.00 33.53 H new ATOM 0 HD3 PRO A 152 1.962 -3.521 -3.013 1.00 33.53 H new ATOM 2484 N ASP A 153 6.512 -3.070 -3.428 1.00 21.41 N ATOM 2485 CA ASP A 153 7.888 -2.970 -3.930 1.00 1.10 C ATOM 2486 C ASP A 153 8.521 -1.623 -3.521 1.00 61.21 C ATOM 2487 O ASP A 153 9.595 -1.583 -2.913 1.00 15.44 O ATOM 2488 CB ASP A 153 7.885 -3.141 -5.459 1.00 61.42 C ATOM 2489 CG ASP A 153 9.279 -3.193 -6.062 1.00 71.53 C ATOM 2490 OD1 ASP A 153 10.174 -3.814 -5.456 1.00 41.04 O ATOM 2491 OD2 ASP A 153 9.487 -2.619 -7.151 1.00 4.43 O ATOM 0 H ASP A 153 5.805 -3.132 -4.161 1.00 21.41 H new ATOM 0 HA ASP A 153 8.492 -3.762 -3.488 1.00 1.10 H new ATOM 0 HB2 ASP A 153 7.352 -4.057 -5.714 1.00 61.42 H new ATOM 0 HB3 ASP A 153 7.333 -2.316 -5.909 1.00 61.42 H new ATOM 2496 N ASP A 154 7.835 -0.526 -3.843 1.00 62.21 N ATOM 2497 CA ASP A 154 8.261 0.810 -3.408 1.00 64.14 C ATOM 2498 C ASP A 154 8.100 0.979 -1.887 1.00 52.01 C ATOM 2499 O ASP A 154 8.885 1.675 -1.240 1.00 72.51 O ATOM 2500 CB ASP A 154 7.467 1.890 -4.148 1.00 70.04 C ATOM 2501 CG ASP A 154 7.688 1.828 -5.649 1.00 25.33 C ATOM 2502 OD1 ASP A 154 8.720 2.356 -6.127 1.00 74.24 O ATOM 2503 OD2 ASP A 154 6.848 1.241 -6.358 1.00 54.41 O ATOM 0 H ASP A 154 6.982 -0.533 -4.403 1.00 62.21 H new ATOM 0 HA ASP A 154 9.318 0.920 -3.650 1.00 64.14 H new ATOM 0 HB2 ASP A 154 6.405 1.772 -3.932 1.00 70.04 H new ATOM 0 HB3 ASP A 154 7.760 2.873 -3.778 1.00 70.04 H new ATOM 2508 N ALA A 155 7.080 0.333 -1.319 1.00 43.02 N ATOM 2509 CA ALA A 155 6.859 0.361 0.132 1.00 4.41 C ATOM 2510 C ALA A 155 8.082 -0.161 0.902 1.00 62.14 C ATOM 2511 O ALA A 155 8.441 0.384 1.940 1.00 15.51 O ATOM 2512 CB ALA A 155 5.618 -0.440 0.502 1.00 42.14 C ATOM 0 H ALA A 155 6.394 -0.215 -1.838 1.00 43.02 H new ATOM 0 HA ALA A 155 6.704 1.401 0.419 1.00 4.41 H new ATOM 0 HB1 ALA A 155 5.472 -0.407 1.582 1.00 42.14 H new ATOM 0 HB2 ALA A 155 4.747 -0.013 0.005 1.00 42.14 H new ATOM 0 HB3 ALA A 155 5.745 -1.475 0.185 1.00 42.14 H new ATOM 2518 N LYS A 156 8.726 -1.215 0.384 1.00 43.03 N ATOM 2519 CA LYS A 156 9.944 -1.758 1.010 1.00 12.34 C ATOM 2520 C LYS A 156 11.074 -0.713 1.030 1.00 31.55 C ATOM 2521 O LYS A 156 11.941 -0.735 1.908 1.00 12.40 O ATOM 2522 CB LYS A 156 10.416 -3.035 0.289 1.00 64.20 C ATOM 2523 CG LYS A 156 9.392 -4.166 0.315 1.00 23.42 C ATOM 2524 CD LYS A 156 9.933 -5.462 -0.286 1.00 61.43 C ATOM 2525 CE LYS A 156 10.992 -6.111 0.601 1.00 61.12 C ATOM 2526 NZ LYS A 156 10.458 -6.447 1.950 1.00 61.12 N ATOM 0 H LYS A 156 8.429 -1.707 -0.459 1.00 43.03 H new ATOM 0 HA LYS A 156 9.694 -2.014 2.040 1.00 12.34 H new ATOM 0 HB2 LYS A 156 10.650 -2.792 -0.747 1.00 64.20 H new ATOM 0 HB3 LYS A 156 11.340 -3.382 0.751 1.00 64.20 H new ATOM 0 HG2 LYS A 156 9.083 -4.348 1.344 1.00 23.42 H new ATOM 0 HG3 LYS A 156 8.502 -3.858 -0.235 1.00 23.42 H new ATOM 0 HD2 LYS A 156 9.111 -6.161 -0.438 1.00 61.43 H new ATOM 0 HD3 LYS A 156 10.360 -5.255 -1.267 1.00 61.43 H new ATOM 0 HE2 LYS A 156 11.362 -7.017 0.121 1.00 61.12 H new ATOM 0 HE3 LYS A 156 11.842 -5.436 0.705 1.00 61.12 H new ATOM 0 HZ1 LYS A 156 10.790 -7.392 2.229 1.00 61.12 H new ATOM 0 HZ2 LYS A 156 10.792 -5.745 2.640 1.00 61.12 H new ATOM 0 HZ3 LYS A 156 9.418 -6.439 1.924 1.00 61.12 H new ATOM 2540 N GLN A 157 11.054 0.205 0.064 1.00 24.44 N ATOM 2541 CA GLN A 157 12.024 1.308 0.034 1.00 52.21 C ATOM 2542 C GLN A 157 11.754 2.264 1.206 1.00 42.22 C ATOM 2543 O GLN A 157 12.659 2.601 1.974 1.00 12.24 O ATOM 2544 CB GLN A 157 11.935 2.074 -1.298 1.00 14.02 C ATOM 2545 CG GLN A 157 11.896 1.182 -2.537 1.00 63.52 C ATOM 2546 CD GLN A 157 13.088 0.243 -2.650 1.00 35.32 C ATOM 2547 OE1 GLN A 157 14.115 0.581 -3.232 1.00 64.21 O ATOM 2548 NE2 GLN A 157 12.953 -0.953 -2.116 1.00 31.21 N ATOM 0 H GLN A 157 10.383 0.211 -0.705 1.00 24.44 H new ATOM 0 HA GLN A 157 13.028 0.893 0.126 1.00 52.21 H new ATOM 0 HB2 GLN A 157 11.041 2.697 -1.286 1.00 14.02 H new ATOM 0 HB3 GLN A 157 12.790 2.745 -1.375 1.00 14.02 H new ATOM 0 HG2 GLN A 157 10.980 0.592 -2.521 1.00 63.52 H new ATOM 0 HG3 GLN A 157 11.854 1.811 -3.426 1.00 63.52 H new ATOM 0 HE21 GLN A 157 12.087 -1.204 -1.639 1.00 31.21 H new ATOM 0 HE22 GLN A 157 13.714 -1.629 -2.179 1.00 31.21 H new ATOM 2557 N LEU A 158 10.488 2.672 1.342 1.00 54.33 N ATOM 2558 CA LEU A 158 10.043 3.505 2.469 1.00 13.14 C ATOM 2559 C LEU A 158 10.293 2.808 3.810 1.00 44.31 C ATOM 2560 O LEU A 158 10.683 3.442 4.792 1.00 4.41 O ATOM 2561 CB LEU A 158 8.545 3.841 2.334 1.00 44.22 C ATOM 2562 CG LEU A 158 8.208 5.026 1.417 1.00 62.34 C ATOM 2563 CD1 LEU A 158 8.776 6.321 1.996 1.00 44.23 C ATOM 2564 CD2 LEU A 158 8.723 4.791 -0.003 1.00 51.41 C ATOM 0 H LEU A 158 9.747 2.438 0.681 1.00 54.33 H new ATOM 0 HA LEU A 158 10.624 4.427 2.445 1.00 13.14 H new ATOM 0 HB2 LEU A 158 8.026 2.958 1.962 1.00 44.22 H new ATOM 0 HB3 LEU A 158 8.147 4.049 3.327 1.00 44.22 H new ATOM 0 HG LEU A 158 7.123 5.117 1.362 1.00 62.34 H new ATOM 0 HD11 LEU A 158 8.530 7.153 1.336 1.00 44.23 H new ATOM 0 HD12 LEU A 158 8.345 6.499 2.981 1.00 44.23 H new ATOM 0 HD13 LEU A 158 9.859 6.236 2.084 1.00 44.23 H new ATOM 0 HD21 LEU A 158 8.469 5.647 -0.628 1.00 51.41 H new ATOM 0 HD22 LEU A 158 9.806 4.666 0.019 1.00 51.41 H new ATOM 0 HD23 LEU A 158 8.262 3.893 -0.413 1.00 51.41 H new ATOM 2576 N THR A 159 10.064 1.500 3.837 1.00 44.12 N ATOM 2577 CA THR A 159 10.278 0.697 5.043 1.00 65.52 C ATOM 2578 C THR A 159 11.722 0.831 5.537 1.00 24.03 C ATOM 2579 O THR A 159 11.967 1.164 6.697 1.00 65.11 O ATOM 2580 CB THR A 159 9.960 -0.800 4.796 1.00 44.32 C ATOM 2581 OG1 THR A 159 8.618 -0.951 4.307 1.00 13.45 O ATOM 2582 CG2 THR A 159 10.119 -1.622 6.070 1.00 41.35 C ATOM 0 H THR A 159 9.728 0.967 3.034 1.00 44.12 H new ATOM 0 HA THR A 159 9.597 1.077 5.804 1.00 65.52 H new ATOM 0 HB THR A 159 10.669 -1.165 4.053 1.00 44.32 H new ATOM 0 HG1 THR A 159 8.562 -0.603 3.392 1.00 13.45 H new ATOM 0 HG21 THR A 159 9.888 -2.666 5.860 1.00 41.35 H new ATOM 0 HG22 THR A 159 11.145 -1.542 6.429 1.00 41.35 H new ATOM 0 HG23 THR A 159 9.437 -1.246 6.833 1.00 41.35 H new ATOM 2590 N THR A 160 12.676 0.593 4.642 1.00 53.53 N ATOM 2591 CA THR A 160 14.097 0.708 4.985 1.00 50.10 C ATOM 2592 C THR A 160 14.457 2.149 5.374 1.00 21.54 C ATOM 2593 O THR A 160 15.104 2.381 6.396 1.00 44.54 O ATOM 2594 CB THR A 160 15.008 0.253 3.819 1.00 23.12 C ATOM 2595 OG1 THR A 160 14.662 -1.082 3.418 1.00 10.25 O ATOM 2596 CG2 THR A 160 16.480 0.298 4.223 1.00 24.33 C ATOM 0 H THR A 160 12.496 0.320 3.676 1.00 53.53 H new ATOM 0 HA THR A 160 14.267 0.050 5.837 1.00 50.10 H new ATOM 0 HB THR A 160 14.856 0.938 2.985 1.00 23.12 H new ATOM 0 HG1 THR A 160 13.819 -1.066 2.919 1.00 10.25 H new ATOM 0 HG21 THR A 160 17.097 -0.027 3.385 1.00 24.33 H new ATOM 0 HG22 THR A 160 16.750 1.317 4.500 1.00 24.33 H new ATOM 0 HG23 THR A 160 16.644 -0.364 5.073 1.00 24.33 H new ATOM 2604 N THR A 161 14.015 3.114 4.560 1.00 34.10 N ATOM 2605 CA THR A 161 14.269 4.543 4.820 1.00 25.43 C ATOM 2606 C THR A 161 13.836 4.953 6.237 1.00 42.21 C ATOM 2607 O THR A 161 14.637 5.470 7.021 1.00 44.21 O ATOM 2608 CB THR A 161 13.535 5.448 3.791 1.00 5.21 C ATOM 2609 OG1 THR A 161 14.003 5.175 2.460 1.00 64.05 O ATOM 2610 CG2 THR A 161 13.740 6.930 4.105 1.00 73.35 C ATOM 0 H THR A 161 13.478 2.935 3.712 1.00 34.10 H new ATOM 0 HA THR A 161 15.346 4.683 4.723 1.00 25.43 H new ATOM 0 HB THR A 161 12.471 5.223 3.858 1.00 5.21 H new ATOM 0 HG1 THR A 161 13.397 5.588 1.809 1.00 64.05 H new ATOM 0 HG21 THR A 161 13.214 7.535 3.366 1.00 73.35 H new ATOM 0 HG22 THR A 161 13.349 7.149 5.099 1.00 73.35 H new ATOM 0 HG23 THR A 161 14.804 7.165 4.074 1.00 73.35 H new ATOM 2618 N ILE A 162 12.571 4.711 6.567 1.00 3.43 N ATOM 2619 CA ILE A 162 12.033 5.073 7.883 1.00 51.42 C ATOM 2620 C ILE A 162 12.737 4.306 9.015 1.00 55.22 C ATOM 2621 O ILE A 162 13.131 4.897 10.019 1.00 10.03 O ATOM 2622 CB ILE A 162 10.503 4.826 7.956 1.00 61.55 C ATOM 2623 CG1 ILE A 162 9.772 5.678 6.901 1.00 54.12 C ATOM 2624 CG2 ILE A 162 9.967 5.125 9.362 1.00 72.13 C ATOM 2625 CD1 ILE A 162 8.272 5.467 6.872 1.00 21.34 C ATOM 0 H ILE A 162 11.896 4.266 5.945 1.00 3.43 H new ATOM 0 HA ILE A 162 12.223 6.138 8.017 1.00 51.42 H new ATOM 0 HB ILE A 162 10.315 3.774 7.742 1.00 61.55 H new ATOM 0 HG12 ILE A 162 9.977 6.731 7.093 1.00 54.12 H new ATOM 0 HG13 ILE A 162 10.180 5.448 5.917 1.00 54.12 H new ATOM 0 HG21 ILE A 162 8.892 4.944 9.388 1.00 72.13 H new ATOM 0 HG22 ILE A 162 10.461 4.477 10.085 1.00 72.13 H new ATOM 0 HG23 ILE A 162 10.166 6.167 9.613 1.00 72.13 H new ATOM 0 HD11 ILE A 162 7.830 6.102 6.104 1.00 21.34 H new ATOM 0 HD12 ILE A 162 8.056 4.422 6.648 1.00 21.34 H new ATOM 0 HD13 ILE A 162 7.849 5.725 7.843 1.00 21.34 H new ATOM 2637 N ASN A 163 12.916 2.999 8.840 1.00 33.52 N ATOM 2638 CA ASN A 163 13.557 2.157 9.864 1.00 52.31 C ATOM 2639 C ASN A 163 14.990 2.618 10.200 1.00 15.21 C ATOM 2640 O ASN A 163 15.395 2.593 11.363 1.00 74.11 O ATOM 2641 CB ASN A 163 13.568 0.690 9.414 1.00 44.11 C ATOM 2642 CG ASN A 163 12.185 0.059 9.456 1.00 24.44 C ATOM 2643 OD1 ASN A 163 11.945 -0.910 8.599 1.00 33.31 O flip ATOM 2644 ND2 ASN A 163 11.339 0.437 10.255 1.00 14.11 N flip ATOM 0 H ASN A 163 12.629 2.494 8.002 1.00 33.52 H new ATOM 0 HA ASN A 163 12.966 2.258 10.774 1.00 52.31 H new ATOM 0 HB2 ASN A 163 13.962 0.627 8.400 1.00 44.11 H new ATOM 0 HB3 ASN A 163 14.243 0.122 10.054 1.00 44.11 H new ATOM 0 HD21 ASN A 163 11.554 1.191 10.907 1.00 14.11 H new ATOM 0 HD22 ASN A 163 10.418 -0.002 10.269 1.00 14.11 H new ATOM 2651 N THR A 164 15.760 3.032 9.192 1.00 64.40 N ATOM 2652 CA THR A 164 17.141 3.488 9.430 1.00 74.45 C ATOM 2653 C THR A 164 17.193 4.947 9.901 1.00 10.22 C ATOM 2654 O THR A 164 18.141 5.359 10.571 1.00 25.25 O ATOM 2655 CB THR A 164 18.044 3.324 8.180 1.00 33.34 C ATOM 2656 OG1 THR A 164 19.390 3.727 8.483 1.00 13.52 O ATOM 2657 CG2 THR A 164 17.529 4.146 7.002 1.00 51.24 C ATOM 0 H THR A 164 15.462 3.063 8.217 1.00 64.40 H new ATOM 0 HA THR A 164 17.526 2.845 10.222 1.00 74.45 H new ATOM 0 HB THR A 164 18.025 2.270 7.901 1.00 33.34 H new ATOM 0 HG1 THR A 164 19.951 3.618 7.687 1.00 13.52 H new ATOM 0 HG21 THR A 164 18.187 4.006 6.145 1.00 51.24 H new ATOM 0 HG22 THR A 164 16.522 3.820 6.743 1.00 51.24 H new ATOM 0 HG23 THR A 164 17.509 5.201 7.275 1.00 51.24 H new ATOM 2665 N ASN A 165 16.174 5.733 9.556 1.00 43.45 N ATOM 2666 CA ASN A 165 16.103 7.131 9.994 1.00 63.34 C ATOM 2667 C ASN A 165 15.189 7.294 11.220 1.00 61.12 C ATOM 2668 O ASN A 165 15.009 8.402 11.719 1.00 11.42 O ATOM 2669 CB ASN A 165 15.626 8.032 8.846 1.00 50.45 C ATOM 2670 CG ASN A 165 16.697 8.228 7.783 1.00 45.02 C ATOM 2671 OD1 ASN A 165 17.495 9.154 7.854 1.00 65.41 O ATOM 2672 ND2 ASN A 165 16.729 7.359 6.796 1.00 11.11 N ATOM 0 H ASN A 165 15.390 5.430 8.978 1.00 43.45 H new ATOM 0 HA ASN A 165 17.108 7.436 10.286 1.00 63.34 H new ATOM 0 HB2 ASN A 165 14.739 7.595 8.388 1.00 50.45 H new ATOM 0 HB3 ASN A 165 15.333 9.002 9.246 1.00 50.45 H new ATOM 0 HD21 ASN A 165 17.432 7.446 6.062 1.00 11.11 H new ATOM 0 HD22 ASN A 165 16.051 6.598 6.764 1.00 11.11 H new ATOM 2679 N ALA A 166 14.630 6.183 11.710 1.00 62.22 N ATOM 2680 CA ALA A 166 13.760 6.197 12.898 1.00 41.31 C ATOM 2681 C ALA A 166 14.444 6.881 14.089 1.00 71.13 C ATOM 2682 O ALA A 166 13.810 7.616 14.846 1.00 51.34 O ATOM 2683 CB ALA A 166 13.350 4.774 13.267 1.00 2.12 C ATOM 0 H ALA A 166 14.763 5.257 11.303 1.00 62.22 H new ATOM 0 HA ALA A 166 12.868 6.773 12.653 1.00 41.31 H new ATOM 0 HB1 ALA A 166 12.707 4.797 14.147 1.00 2.12 H new ATOM 0 HB2 ALA A 166 12.810 4.324 12.434 1.00 2.12 H new ATOM 0 HB3 ALA A 166 14.240 4.183 13.484 1.00 2.12 H new ATOM 2689 N GLU A 167 15.743 6.640 14.234 1.00 51.22 N ATOM 2690 CA GLU A 167 16.546 7.258 15.297 1.00 21.13 C ATOM 2691 C GLU A 167 16.613 8.791 15.152 1.00 34.13 C ATOM 2692 O GLU A 167 16.845 9.511 16.126 1.00 45.34 O ATOM 2693 CB GLU A 167 17.960 6.663 15.284 1.00 45.40 C ATOM 2694 CG GLU A 167 18.658 6.773 13.931 1.00 62.31 C ATOM 2695 CD GLU A 167 20.061 6.188 13.946 1.00 55.41 C ATOM 2696 OE1 GLU A 167 21.003 6.903 14.344 1.00 13.50 O ATOM 2697 OE2 GLU A 167 20.228 5.010 13.569 1.00 65.43 O ATOM 0 H GLU A 167 16.271 6.015 13.625 1.00 51.22 H new ATOM 0 HA GLU A 167 16.063 7.043 16.250 1.00 21.13 H new ATOM 0 HB2 GLU A 167 18.564 7.168 16.037 1.00 45.40 H new ATOM 0 HB3 GLU A 167 17.906 5.613 15.571 1.00 45.40 H new ATOM 0 HG2 GLU A 167 18.062 6.259 13.177 1.00 62.31 H new ATOM 0 HG3 GLU A 167 18.709 7.821 13.637 1.00 62.31 H new ATOM 2704 N ALA A 168 16.428 9.285 13.931 1.00 1.23 N ATOM 2705 CA ALA A 168 16.387 10.728 13.673 1.00 40.23 C ATOM 2706 C ALA A 168 14.957 11.267 13.787 1.00 51.31 C ATOM 2707 O ALA A 168 14.732 12.348 14.326 1.00 20.40 O ATOM 2708 CB ALA A 168 16.957 11.037 12.293 1.00 3.44 C ATOM 0 H ALA A 168 16.303 8.708 13.099 1.00 1.23 H new ATOM 0 HA ALA A 168 16.999 11.223 14.427 1.00 40.23 H new ATOM 0 HB1 ALA A 168 16.920 12.112 12.116 1.00 3.44 H new ATOM 0 HB2 ALA A 168 17.991 10.697 12.242 1.00 3.44 H new ATOM 0 HB3 ALA A 168 16.368 10.524 11.533 1.00 3.44 H new ATOM 2714 N LEU A 169 13.998 10.494 13.283 1.00 3.41 N ATOM 2715 CA LEU A 169 12.579 10.873 13.299 1.00 32.44 C ATOM 2716 C LEU A 169 12.024 10.960 14.731 1.00 14.51 C ATOM 2717 O LEU A 169 11.490 11.992 15.146 1.00 24.53 O ATOM 2718 CB LEU A 169 11.762 9.848 12.496 1.00 3.45 C ATOM 2719 CG LEU A 169 12.165 9.696 11.018 1.00 25.22 C ATOM 2720 CD1 LEU A 169 11.447 8.510 10.374 1.00 60.14 C ATOM 2721 CD2 LEU A 169 11.882 10.981 10.245 1.00 4.33 C ATOM 0 H LEU A 169 14.178 9.587 12.851 1.00 3.41 H new ATOM 0 HA LEU A 169 12.495 11.861 12.846 1.00 32.44 H new ATOM 0 HB2 LEU A 169 11.852 8.876 12.981 1.00 3.45 H new ATOM 0 HB3 LEU A 169 10.710 10.131 12.541 1.00 3.45 H new ATOM 0 HG LEU A 169 13.237 9.503 10.980 1.00 25.22 H new ATOM 0 HD11 LEU A 169 11.749 8.425 9.330 1.00 60.14 H new ATOM 0 HD12 LEU A 169 11.710 7.594 10.904 1.00 60.14 H new ATOM 0 HD13 LEU A 169 10.369 8.664 10.428 1.00 60.14 H new ATOM 0 HD21 LEU A 169 12.174 10.851 9.203 1.00 4.33 H new ATOM 0 HD22 LEU A 169 10.818 11.210 10.297 1.00 4.33 H new ATOM 0 HD23 LEU A 169 12.452 11.801 10.682 1.00 4.33 H new ATOM 2733 N PHE A 170 12.153 9.867 15.476 1.00 24.21 N ATOM 2734 CA PHE A 170 11.607 9.777 16.833 1.00 71.22 C ATOM 2735 C PHE A 170 12.708 9.985 17.885 1.00 62.40 C ATOM 2736 O PHE A 170 13.897 9.844 17.592 1.00 23.51 O ATOM 2737 CB PHE A 170 10.929 8.416 17.022 1.00 40.34 C ATOM 2738 CG PHE A 170 9.920 8.105 15.943 1.00 21.03 C ATOM 2739 CD1 PHE A 170 8.663 8.692 15.962 1.00 42.31 C ATOM 2740 CD2 PHE A 170 10.237 7.243 14.901 1.00 44.44 C ATOM 2741 CE1 PHE A 170 7.743 8.423 14.967 1.00 13.55 C ATOM 2742 CE2 PHE A 170 9.319 6.973 13.902 1.00 31.24 C ATOM 2743 CZ PHE A 170 8.071 7.564 13.936 1.00 23.22 C ATOM 0 H PHE A 170 12.634 9.024 15.163 1.00 24.21 H new ATOM 0 HA PHE A 170 10.868 10.567 16.968 1.00 71.22 H new ATOM 0 HB2 PHE A 170 11.690 7.636 17.036 1.00 40.34 H new ATOM 0 HB3 PHE A 170 10.433 8.395 17.992 1.00 40.34 H new ATOM 0 HD1 PHE A 170 8.401 9.367 16.764 1.00 42.31 H new ATOM 0 HD2 PHE A 170 11.211 6.778 14.870 1.00 44.44 H new ATOM 0 HE1 PHE A 170 6.767 8.884 14.995 1.00 13.55 H new ATOM 0 HE2 PHE A 170 9.578 6.301 13.097 1.00 31.24 H new ATOM 0 HZ PHE A 170 7.352 7.355 13.157 1.00 23.22 H new ATOM 2753 N ARG A 171 12.311 10.308 19.114 1.00 33.43 N ATOM 2754 CA ARG A 171 13.275 10.648 20.165 1.00 20.53 C ATOM 2755 C ARG A 171 13.229 9.643 21.333 1.00 63.53 C ATOM 2756 O ARG A 171 12.157 9.337 21.858 1.00 64.35 O ATOM 2757 CB ARG A 171 12.991 12.069 20.685 1.00 13.15 C ATOM 2758 CG ARG A 171 14.223 12.790 21.228 1.00 63.14 C ATOM 2759 CD ARG A 171 15.292 12.954 20.147 1.00 75.31 C ATOM 2760 NE ARG A 171 14.721 13.469 18.900 1.00 44.31 N ATOM 2761 CZ ARG A 171 15.048 13.047 17.707 1.00 33.30 C ATOM 2762 NH1 ARG A 171 15.976 12.154 17.552 1.00 12.14 N ATOM 2763 NH2 ARG A 171 14.431 13.513 16.671 1.00 24.12 N ATOM 0 H ARG A 171 11.335 10.342 19.408 1.00 33.43 H new ATOM 0 HA ARG A 171 14.274 10.603 19.731 1.00 20.53 H new ATOM 0 HB2 ARG A 171 12.563 12.662 19.877 1.00 13.15 H new ATOM 0 HB3 ARG A 171 12.239 12.013 21.472 1.00 13.15 H new ATOM 0 HG2 ARG A 171 13.935 13.770 21.609 1.00 63.14 H new ATOM 0 HG3 ARG A 171 14.635 12.230 22.067 1.00 63.14 H new ATOM 0 HD2 ARG A 171 16.067 13.633 20.501 1.00 75.31 H new ATOM 0 HD3 ARG A 171 15.771 11.993 19.959 1.00 75.31 H new ATOM 0 HE ARG A 171 14.020 14.207 18.967 1.00 44.31 H new ATOM 0 HH11 ARG A 171 16.459 11.774 18.366 1.00 12.14 H new ATOM 0 HH12 ARG A 171 16.223 11.832 16.616 1.00 12.14 H new ATOM 0 HH21 ARG A 171 13.692 14.207 16.787 1.00 24.12 H new ATOM 0 HH22 ARG A 171 14.683 13.187 15.738 1.00 24.12 H new