USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 717 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 85 SER OG : rot 180:sc= 0.0236 USER MOD Set 1.2: A 86 SER OG : rot 180:sc= 0.0325 USER MOD Set 2.1: A 84 ASN : amide:sc= -3.57! C(o=-7.3!,f=-10!) USER MOD Set 2.2: A 88 HIS : no HD1:sc= -3.75! C(o=-7.3!,f=-13!) USER MOD Single : A 16 THR OG1 : rot 45:sc= 0.73 USER MOD Single : A 26 LYS NZ :NH3+ 140:sc= -0.123 (180deg=-2.15!) USER MOD Single : A 30 MET CE :methyl 164:sc= -1.23 (180deg=-2.36!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 20:sc= 0.483 USER MOD Single : A 37 GLN : amide:sc= -2 K(o=-2,f=-3.1!) USER MOD Single : A 43 SER OG : rot -103:sc= 0.0194 USER MOD Single : A 44 MET CE :methyl 140:sc= -0.586 (180deg=-0.73) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.231 USER MOD Single : A 46 ASN : amide:sc= 0.497 K(o=0.5,f=-0.082) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot 65:sc= -0.621 USER MOD Single : A 58 LYS NZ :NH3+ -114:sc= 1.09 (180deg=-1.33) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.358 X(o=-0.36,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 HIS : no HD1:sc= -0.0162 X(o=-0.016,f=-0.016) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ -148:sc= -0.268 (180deg=-1.08) USER MOD Single : A 97 LYS NZ :NH3+ -110:sc= -0.102 (180deg=-3.26!) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 179:sc= -0.341 (180deg=-0.341) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 190 N THR A 16 -10.250 -2.084 -4.993 1.00 0.00 N ATOM 191 CA THR A 16 -11.055 -1.026 -4.397 1.00 0.00 C ATOM 192 C THR A 16 -11.845 -1.544 -3.200 1.00 0.00 C ATOM 193 O THR A 16 -12.920 -2.124 -3.359 1.00 0.00 O ATOM 194 CB THR A 16 -12.033 -0.420 -5.420 1.00 0.00 C ATOM 195 OG1 THR A 16 -12.858 -1.449 -5.978 1.00 0.00 O ATOM 196 CG2 THR A 16 -11.280 0.292 -6.534 1.00 0.00 C ATOM 0 HA THR A 16 -10.363 -0.252 -4.065 1.00 0.00 H new ATOM 0 HB THR A 16 -12.659 0.308 -4.903 1.00 0.00 H new ATOM 0 HG1 THR A 16 -13.180 -2.035 -5.261 1.00 0.00 H new ATOM 0 HG21 THR A 16 -11.992 0.712 -7.244 1.00 0.00 H new ATOM 0 HG22 THR A 16 -10.675 1.094 -6.110 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.632 -0.419 -7.047 1.00 0.00 H new ATOM 204 N ILE A 17 -11.307 -1.330 -2.004 1.00 0.00 N ATOM 205 CA ILE A 17 -11.964 -1.774 -0.781 1.00 0.00 C ATOM 206 C ILE A 17 -12.086 -0.632 0.222 1.00 0.00 C ATOM 207 O ILE A 17 -11.083 -0.080 0.675 1.00 0.00 O ATOM 208 CB ILE A 17 -11.202 -2.940 -0.125 1.00 0.00 C ATOM 209 CG1 ILE A 17 -11.121 -4.129 -1.084 1.00 0.00 C ATOM 210 CG2 ILE A 17 -11.877 -3.348 1.176 1.00 0.00 C ATOM 211 CD1 ILE A 17 -10.103 -5.170 -0.672 1.00 0.00 C ATOM 0 H ILE A 17 -10.418 -0.852 -1.856 1.00 0.00 H new ATOM 0 HA ILE A 17 -12.960 -2.115 -1.063 1.00 0.00 H new ATOM 0 HB ILE A 17 -10.188 -2.610 0.102 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -12.102 -4.599 -1.151 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -10.873 -3.765 -2.081 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -11.327 -4.173 1.628 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -11.888 -2.501 1.862 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -12.900 -3.663 0.972 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -10.100 -5.983 -1.398 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -9.113 -4.715 -0.633 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.361 -5.562 0.312 1.00 0.00 H new ATOM 223 N ILE A 18 -13.322 -0.285 0.567 1.00 0.00 N ATOM 224 CA ILE A 18 -13.575 0.788 1.520 1.00 0.00 C ATOM 225 C ILE A 18 -13.721 0.243 2.937 1.00 0.00 C ATOM 226 O ILE A 18 -14.450 -0.722 3.170 1.00 0.00 O ATOM 227 CB ILE A 18 -14.845 1.578 1.153 1.00 0.00 C ATOM 228 CG1 ILE A 18 -14.705 2.194 -0.241 1.00 0.00 C ATOM 229 CG2 ILE A 18 -15.115 2.659 2.190 1.00 0.00 C ATOM 230 CD1 ILE A 18 -13.548 3.161 -0.361 1.00 0.00 C ATOM 0 H ILE A 18 -14.163 -0.731 0.201 1.00 0.00 H new ATOM 0 HA ILE A 18 -12.715 1.457 1.478 1.00 0.00 H new ATOM 0 HB ILE A 18 -15.691 0.891 1.143 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -14.577 1.395 -0.971 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -15.629 2.713 -0.495 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -16.016 3.209 1.917 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -15.254 2.198 3.168 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -14.269 3.345 2.229 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -13.510 3.558 -1.375 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -13.684 3.980 0.345 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -12.616 2.642 -0.139 1.00 0.00 H new ATOM 242 N LEU A 19 -13.025 0.868 3.879 1.00 0.00 N ATOM 243 CA LEU A 19 -13.077 0.448 5.275 1.00 0.00 C ATOM 244 C LEU A 19 -14.068 1.299 6.063 1.00 0.00 C ATOM 245 O LEU A 19 -14.098 2.524 5.951 1.00 0.00 O ATOM 246 CB LEU A 19 -11.689 0.542 5.910 1.00 0.00 C ATOM 247 CG LEU A 19 -11.408 -0.427 7.059 1.00 0.00 C ATOM 248 CD1 LEU A 19 -11.384 -1.861 6.553 1.00 0.00 C ATOM 249 CD2 LEU A 19 -10.094 -0.078 7.742 1.00 0.00 C ATOM 0 H LEU A 19 -12.417 1.668 3.702 1.00 0.00 H new ATOM 0 HA LEU A 19 -13.413 -0.589 5.304 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.944 0.377 5.132 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.547 1.559 6.276 1.00 0.00 H new ATOM 0 HG LEU A 19 -12.210 -0.335 7.791 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.183 -2.537 7.384 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -12.349 -2.107 6.111 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -10.603 -1.968 5.801 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.910 -0.778 8.557 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -9.280 -0.141 7.019 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.149 0.935 8.140 1.00 0.00 H new ATOM 261 N PRO A 20 -14.897 0.635 6.883 1.00 0.00 N ATOM 262 CA PRO A 20 -15.902 1.311 7.709 1.00 0.00 C ATOM 263 C PRO A 20 -15.275 2.121 8.838 1.00 0.00 C ATOM 264 O PRO A 20 -14.054 2.247 8.920 1.00 0.00 O ATOM 265 CB PRO A 20 -16.731 0.156 8.275 1.00 0.00 C ATOM 266 CG PRO A 20 -15.808 -1.014 8.264 1.00 0.00 C ATOM 267 CD PRO A 20 -14.917 -0.826 7.068 1.00 0.00 C ATOM 0 HA PRO A 20 -16.485 2.030 7.134 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -17.079 0.376 9.284 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -17.616 -0.032 7.666 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -15.224 -1.059 9.183 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -16.364 -1.949 8.194 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -13.917 -1.222 7.246 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.311 -1.337 6.189 1.00 0.00 H new ATOM 275 N GLU A 21 -16.119 2.668 9.708 1.00 0.00 N ATOM 276 CA GLU A 21 -15.646 3.466 10.832 1.00 0.00 C ATOM 277 C GLU A 21 -15.536 2.616 12.095 1.00 0.00 C ATOM 278 O GLU A 21 -15.491 3.141 13.207 1.00 0.00 O ATOM 279 CB GLU A 21 -16.587 4.647 11.080 1.00 0.00 C ATOM 280 CG GLU A 21 -18.007 4.232 11.427 1.00 0.00 C ATOM 281 CD GLU A 21 -18.865 5.401 11.870 1.00 0.00 C ATOM 282 OE1 GLU A 21 -19.386 6.120 10.991 1.00 0.00 O ATOM 283 OE2 GLU A 21 -19.015 5.598 13.094 1.00 0.00 O ATOM 0 H GLU A 21 -17.133 2.573 9.655 1.00 0.00 H new ATOM 0 HA GLU A 21 -14.655 3.846 10.583 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -16.187 5.255 11.891 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -16.609 5.276 10.190 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -18.465 3.758 10.559 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -17.980 3.485 12.220 1.00 0.00 H new ATOM 290 N ASP A 22 -15.494 1.301 11.913 1.00 0.00 N ATOM 291 CA ASP A 22 -15.390 0.377 13.036 1.00 0.00 C ATOM 292 C ASP A 22 -13.989 -0.221 13.119 1.00 0.00 C ATOM 293 O ASP A 22 -13.636 -0.867 14.107 1.00 0.00 O ATOM 294 CB ASP A 22 -16.427 -0.739 12.905 1.00 0.00 C ATOM 295 CG ASP A 22 -16.543 -1.573 14.166 1.00 0.00 C ATOM 296 OD1 ASP A 22 -16.625 -0.983 15.263 1.00 0.00 O ATOM 297 OD2 ASP A 22 -16.553 -2.817 14.055 1.00 0.00 O ATOM 0 H ASP A 22 -15.530 0.851 10.998 1.00 0.00 H new ATOM 0 HA ASP A 22 -15.583 0.935 13.952 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -17.398 -0.303 12.671 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -16.158 -1.385 12.069 1.00 0.00 H new ATOM 302 N ILE A 23 -13.195 -0.003 12.076 1.00 0.00 N ATOM 303 CA ILE A 23 -11.833 -0.520 12.031 1.00 0.00 C ATOM 304 C ILE A 23 -10.827 0.542 12.461 1.00 0.00 C ATOM 305 O ILE A 23 -11.034 1.734 12.235 1.00 0.00 O ATOM 306 CB ILE A 23 -11.466 -1.018 10.621 1.00 0.00 C ATOM 307 CG1 ILE A 23 -12.719 -1.497 9.883 1.00 0.00 C ATOM 308 CG2 ILE A 23 -10.435 -2.134 10.704 1.00 0.00 C ATOM 309 CD1 ILE A 23 -13.588 -2.422 10.706 1.00 0.00 C ATOM 0 H ILE A 23 -13.472 0.528 11.251 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.791 -1.359 12.726 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.031 -0.190 10.061 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -13.308 -0.630 9.583 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -12.419 -2.011 8.970 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.186 -2.475 9.699 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.535 -1.762 11.194 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.844 -2.965 11.278 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -14.457 -2.722 10.120 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.016 -3.307 10.985 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -13.918 -1.905 11.607 1.00 0.00 H new ATOM 321 N GLU A 24 -9.737 0.101 13.079 1.00 0.00 N ATOM 322 CA GLU A 24 -8.697 1.014 13.540 1.00 0.00 C ATOM 323 C GLU A 24 -7.523 1.037 12.566 1.00 0.00 C ATOM 324 O GLU A 24 -6.768 0.070 12.463 1.00 0.00 O ATOM 325 CB GLU A 24 -8.211 0.609 14.933 1.00 0.00 C ATOM 326 CG GLU A 24 -6.876 1.226 15.314 1.00 0.00 C ATOM 327 CD GLU A 24 -6.613 1.169 16.807 1.00 0.00 C ATOM 328 OE1 GLU A 24 -6.145 0.116 17.288 1.00 0.00 O ATOM 329 OE2 GLU A 24 -6.874 2.179 17.494 1.00 0.00 O ATOM 0 H GLU A 24 -9.550 -0.883 13.272 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.125 2.015 13.590 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.960 0.901 15.669 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.126 -0.477 14.978 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.076 0.706 14.788 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.852 2.265 14.984 1.00 0.00 H new ATOM 336 N LEU A 25 -7.375 2.148 11.852 1.00 0.00 N ATOM 337 CA LEU A 25 -6.293 2.298 10.885 1.00 0.00 C ATOM 338 C LEU A 25 -5.028 2.817 11.561 1.00 0.00 C ATOM 339 O LEU A 25 -5.004 3.927 12.093 1.00 0.00 O ATOM 340 CB LEU A 25 -6.713 3.251 9.764 1.00 0.00 C ATOM 341 CG LEU A 25 -7.700 2.689 8.741 1.00 0.00 C ATOM 342 CD1 LEU A 25 -8.146 3.777 7.776 1.00 0.00 C ATOM 343 CD2 LEU A 25 -7.078 1.525 7.983 1.00 0.00 C ATOM 0 H LEU A 25 -7.991 2.958 11.925 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.080 1.317 10.459 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.155 4.139 10.216 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.817 3.575 9.235 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.577 2.323 9.275 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.848 3.358 7.055 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.631 4.579 8.332 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.278 4.174 7.249 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.795 1.138 7.259 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.184 1.867 7.461 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.809 0.736 8.685 1.00 0.00 H new ATOM 355 N LYS A 26 -3.975 2.006 11.534 1.00 0.00 N ATOM 356 CA LYS A 26 -2.704 2.383 12.140 1.00 0.00 C ATOM 357 C LYS A 26 -1.760 2.977 11.100 1.00 0.00 C ATOM 358 O LYS A 26 -1.703 2.534 9.953 1.00 0.00 O ATOM 359 CB LYS A 26 -2.050 1.167 12.801 1.00 0.00 C ATOM 360 CG LYS A 26 -2.711 0.756 14.106 1.00 0.00 C ATOM 361 CD LYS A 26 -2.591 -0.740 14.344 1.00 0.00 C ATOM 362 CE LYS A 26 -3.770 -1.495 13.748 1.00 0.00 C ATOM 363 NZ LYS A 26 -4.896 -1.618 14.715 1.00 0.00 N ATOM 0 H LYS A 26 -3.977 1.084 11.099 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.903 3.139 12.899 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.080 0.327 12.107 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.999 1.387 12.989 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.251 1.295 14.934 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.763 1.039 14.087 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.663 -1.106 13.905 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.536 -0.936 15.415 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.116 -0.980 12.852 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.446 -2.489 13.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -5.798 -1.481 14.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.880 -2.563 15.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.797 -0.896 15.457 1.00 0.00 H new ATOM 377 N PRO A 27 -1.000 4.004 11.508 1.00 0.00 N ATOM 378 CA PRO A 27 -0.043 4.680 10.626 1.00 0.00 C ATOM 379 C PRO A 27 1.156 3.800 10.288 1.00 0.00 C ATOM 380 O PRO A 27 2.165 3.809 10.994 1.00 0.00 O ATOM 381 CB PRO A 27 0.400 5.894 11.447 1.00 0.00 C ATOM 382 CG PRO A 27 0.185 5.491 12.865 1.00 0.00 C ATOM 383 CD PRO A 27 -1.015 4.585 12.861 1.00 0.00 C ATOM 0 HA PRO A 27 -0.487 4.937 9.664 1.00 0.00 H new ATOM 0 HB2 PRO A 27 1.445 6.139 11.259 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.185 6.778 11.194 1.00 0.00 H new ATOM 0 HG2 PRO A 27 1.061 4.977 13.262 1.00 0.00 H new ATOM 0 HG3 PRO A 27 0.014 6.363 13.497 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -0.940 3.816 13.629 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.936 5.137 13.051 1.00 0.00 H new ATOM 391 N LEU A 28 1.039 3.040 9.205 1.00 0.00 N ATOM 392 CA LEU A 28 2.114 2.154 8.772 1.00 0.00 C ATOM 393 C LEU A 28 3.376 2.946 8.448 1.00 0.00 C ATOM 394 O LEU A 28 4.486 2.524 8.771 1.00 0.00 O ATOM 395 CB LEU A 28 1.676 1.348 7.548 1.00 0.00 C ATOM 396 CG LEU A 28 2.796 0.868 6.624 1.00 0.00 C ATOM 397 CD1 LEU A 28 2.306 -0.264 5.735 1.00 0.00 C ATOM 398 CD2 LEU A 28 3.323 2.021 5.782 1.00 0.00 C ATOM 0 H LEU A 28 0.210 3.019 8.610 1.00 0.00 H new ATOM 0 HA LEU A 28 2.337 1.469 9.590 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.118 0.477 7.892 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.987 1.958 6.964 1.00 0.00 H new ATOM 0 HG LEU A 28 3.613 0.491 7.239 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.116 -0.593 5.084 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.978 -1.098 6.355 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.472 0.086 5.127 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.119 1.661 5.130 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.514 2.428 5.176 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.714 2.800 6.436 1.00 0.00 H new ATOM 410 N GLY A 29 3.198 4.099 7.810 1.00 0.00 N ATOM 411 CA GLY A 29 4.331 4.934 7.456 1.00 0.00 C ATOM 412 C GLY A 29 3.961 6.026 6.472 1.00 0.00 C ATOM 413 O GLY A 29 2.783 6.320 6.276 1.00 0.00 O ATOM 0 H GLY A 29 2.289 4.470 7.532 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.741 5.386 8.359 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.116 4.312 7.026 1.00 0.00 H new ATOM 417 N MET A 30 4.971 6.629 5.853 1.00 0.00 N ATOM 418 CA MET A 30 4.745 7.696 4.884 1.00 0.00 C ATOM 419 C MET A 30 5.583 7.476 3.629 1.00 0.00 C ATOM 420 O MET A 30 6.743 7.073 3.707 1.00 0.00 O ATOM 421 CB MET A 30 5.079 9.054 5.503 1.00 0.00 C ATOM 422 CG MET A 30 4.490 10.230 4.741 1.00 0.00 C ATOM 423 SD MET A 30 4.771 11.807 5.570 1.00 0.00 S ATOM 424 CE MET A 30 6.544 11.976 5.382 1.00 0.00 C ATOM 0 H MET A 30 5.953 6.397 6.005 1.00 0.00 H new ATOM 0 HA MET A 30 3.692 7.682 4.603 1.00 0.00 H new ATOM 0 HB2 MET A 30 4.713 9.076 6.529 1.00 0.00 H new ATOM 0 HB3 MET A 30 6.162 9.167 5.549 1.00 0.00 H new ATOM 0 HG2 MET A 30 4.926 10.266 3.743 1.00 0.00 H new ATOM 0 HG3 MET A 30 3.418 10.076 4.615 1.00 0.00 H new ATOM 0 HE1 MET A 30 6.834 13.008 5.581 1.00 0.00 H new ATOM 0 HE2 MET A 30 7.049 11.315 6.086 1.00 0.00 H new ATOM 0 HE3 MET A 30 6.829 11.708 4.365 1.00 0.00 H new ATOM 434 N VAL A 31 4.987 7.743 2.471 1.00 0.00 N ATOM 435 CA VAL A 31 5.678 7.575 1.198 1.00 0.00 C ATOM 436 C VAL A 31 7.069 8.199 1.242 1.00 0.00 C ATOM 437 O VAL A 31 7.232 9.347 1.654 1.00 0.00 O ATOM 438 CB VAL A 31 4.882 8.203 0.039 1.00 0.00 C ATOM 439 CG1 VAL A 31 5.565 7.925 -1.291 1.00 0.00 C ATOM 440 CG2 VAL A 31 3.452 7.685 0.033 1.00 0.00 C ATOM 0 H VAL A 31 4.027 8.077 2.388 1.00 0.00 H new ATOM 0 HA VAL A 31 5.769 6.502 1.026 1.00 0.00 H new ATOM 0 HB VAL A 31 4.852 9.283 0.185 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.988 8.377 -2.098 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.569 8.350 -1.281 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.629 6.848 -1.449 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.904 8.139 -0.792 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.458 6.602 -0.088 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.968 7.942 0.975 1.00 0.00 H new ATOM 450 N SER A 32 8.068 7.434 0.815 1.00 0.00 N ATOM 451 CA SER A 32 9.446 7.910 0.808 1.00 0.00 C ATOM 452 C SER A 32 9.964 8.057 -0.620 1.00 0.00 C ATOM 453 O SER A 32 10.732 8.969 -0.922 1.00 0.00 O ATOM 454 CB SER A 32 10.344 6.950 1.592 1.00 0.00 C ATOM 455 OG SER A 32 11.572 7.567 1.937 1.00 0.00 O ATOM 0 H SER A 32 7.949 6.482 0.469 1.00 0.00 H new ATOM 0 HA SER A 32 9.468 8.889 1.286 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.831 6.624 2.497 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.536 6.058 0.996 1.00 0.00 H new ATOM 0 HG SER A 32 12.127 6.934 2.438 1.00 0.00 H new ATOM 461 N SER A 33 9.536 7.150 -1.493 1.00 0.00 N ATOM 462 CA SER A 33 9.959 7.175 -2.889 1.00 0.00 C ATOM 463 C SER A 33 8.920 6.504 -3.782 1.00 0.00 C ATOM 464 O SER A 33 7.972 5.887 -3.295 1.00 0.00 O ATOM 465 CB SER A 33 11.311 6.479 -3.047 1.00 0.00 C ATOM 466 OG SER A 33 12.375 7.339 -2.676 1.00 0.00 O ATOM 0 H SER A 33 8.898 6.390 -1.259 1.00 0.00 H new ATOM 0 HA SER A 33 10.058 8.216 -3.195 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.335 5.580 -2.431 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.441 6.160 -4.081 1.00 0.00 H new ATOM 0 HG SER A 33 12.029 8.064 -2.114 1.00 0.00 H new ATOM 472 N ILE A 34 9.107 6.629 -5.092 1.00 0.00 N ATOM 473 CA ILE A 34 8.188 6.033 -6.054 1.00 0.00 C ATOM 474 C ILE A 34 8.944 5.289 -7.149 1.00 0.00 C ATOM 475 O ILE A 34 9.843 5.843 -7.783 1.00 0.00 O ATOM 476 CB ILE A 34 7.285 7.099 -6.703 1.00 0.00 C ATOM 477 CG1 ILE A 34 6.203 7.550 -5.720 1.00 0.00 C ATOM 478 CG2 ILE A 34 6.656 6.555 -7.977 1.00 0.00 C ATOM 479 CD1 ILE A 34 6.680 8.596 -4.736 1.00 0.00 C ATOM 0 H ILE A 34 9.886 7.137 -5.511 1.00 0.00 H new ATOM 0 HA ILE A 34 7.567 5.328 -5.502 1.00 0.00 H new ATOM 0 HB ILE A 34 7.897 7.963 -6.962 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.357 7.949 -6.280 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.840 6.683 -5.169 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.021 7.319 -8.424 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.441 6.278 -8.681 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.055 5.677 -7.740 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.862 8.869 -4.070 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.506 8.194 -4.150 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.016 9.479 -5.279 1.00 0.00 H new ATOM 491 N ILE A 35 8.574 4.031 -7.366 1.00 0.00 N ATOM 492 CA ILE A 35 9.216 3.212 -8.386 1.00 0.00 C ATOM 493 C ILE A 35 8.536 3.388 -9.740 1.00 0.00 C ATOM 494 O ILE A 35 7.374 3.785 -9.815 1.00 0.00 O ATOM 495 CB ILE A 35 9.196 1.720 -8.005 1.00 0.00 C ATOM 496 CG1 ILE A 35 10.219 1.440 -6.903 1.00 0.00 C ATOM 497 CG2 ILE A 35 9.475 0.857 -9.226 1.00 0.00 C ATOM 498 CD1 ILE A 35 10.109 0.051 -6.314 1.00 0.00 C ATOM 0 H ILE A 35 7.833 3.557 -6.849 1.00 0.00 H new ATOM 0 HA ILE A 35 10.251 3.547 -8.455 1.00 0.00 H new ATOM 0 HB ILE A 35 8.205 1.470 -7.627 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.222 1.576 -7.307 1.00 0.00 H new ATOM 0 HG13 ILE A 35 10.094 2.174 -6.107 1.00 0.00 H new ATOM 0 HG21 ILE A 35 9.457 -0.195 -8.940 1.00 0.00 H new ATOM 0 HG22 ILE A 35 8.712 1.040 -9.983 1.00 0.00 H new ATOM 0 HG23 ILE A 35 10.456 1.106 -9.631 1.00 0.00 H new ATOM 0 HD11 ILE A 35 10.865 -0.077 -5.539 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.118 -0.083 -5.880 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.264 -0.690 -7.098 1.00 0.00 H new ATOM 510 N GLU A 36 9.269 3.087 -10.808 1.00 0.00 N ATOM 511 CA GLU A 36 8.736 3.211 -12.159 1.00 0.00 C ATOM 512 C GLU A 36 7.239 2.913 -12.183 1.00 0.00 C ATOM 513 O GLU A 36 6.434 3.761 -12.566 1.00 0.00 O ATOM 514 CB GLU A 36 9.471 2.265 -13.110 1.00 0.00 C ATOM 515 CG GLU A 36 10.969 2.511 -13.177 1.00 0.00 C ATOM 516 CD GLU A 36 11.620 1.829 -14.364 1.00 0.00 C ATOM 517 OE1 GLU A 36 11.198 2.100 -15.508 1.00 0.00 O ATOM 518 OE2 GLU A 36 12.551 1.024 -14.150 1.00 0.00 O ATOM 0 H GLU A 36 10.233 2.756 -10.763 1.00 0.00 H new ATOM 0 HA GLU A 36 8.890 4.238 -12.490 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.294 1.237 -12.795 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.049 2.369 -14.110 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.155 3.584 -13.232 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.433 2.154 -12.258 1.00 0.00 H new ATOM 525 N GLN A 37 6.877 1.702 -11.773 1.00 0.00 N ATOM 526 CA GLN A 37 5.478 1.292 -11.749 1.00 0.00 C ATOM 527 C GLN A 37 4.984 1.127 -10.315 1.00 0.00 C ATOM 528 O GLN A 37 3.796 1.291 -10.034 1.00 0.00 O ATOM 529 CB GLN A 37 5.295 -0.018 -12.517 1.00 0.00 C ATOM 530 CG GLN A 37 6.525 -0.911 -12.499 1.00 0.00 C ATOM 531 CD GLN A 37 7.513 -0.567 -13.596 1.00 0.00 C ATOM 532 OE1 GLN A 37 7.158 0.067 -14.590 1.00 0.00 O ATOM 533 NE2 GLN A 37 8.761 -0.985 -13.422 1.00 0.00 N ATOM 0 H GLN A 37 7.532 0.988 -11.453 1.00 0.00 H new ATOM 0 HA GLN A 37 4.889 2.073 -12.230 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.453 -0.564 -12.091 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.037 0.210 -13.551 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.018 -0.824 -11.531 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.216 -1.951 -12.607 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.011 -1.508 -12.583 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.469 -0.784 -14.128 1.00 0.00 H new ATOM 542 N LEU A 38 5.902 0.801 -9.412 1.00 0.00 N ATOM 543 CA LEU A 38 5.560 0.613 -8.006 1.00 0.00 C ATOM 544 C LEU A 38 5.872 1.867 -7.198 1.00 0.00 C ATOM 545 O LEU A 38 6.471 2.815 -7.708 1.00 0.00 O ATOM 546 CB LEU A 38 6.322 -0.582 -7.431 1.00 0.00 C ATOM 547 CG LEU A 38 6.313 -1.855 -8.279 1.00 0.00 C ATOM 548 CD1 LEU A 38 5.065 -1.911 -9.145 1.00 0.00 C ATOM 549 CD2 LEU A 38 7.566 -1.930 -9.140 1.00 0.00 C ATOM 0 H LEU A 38 6.889 0.661 -9.628 1.00 0.00 H new ATOM 0 HA LEU A 38 4.490 0.418 -7.940 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.358 -0.284 -7.270 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.903 -0.818 -6.453 1.00 0.00 H new ATOM 0 HG LEU A 38 6.304 -2.715 -7.609 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.076 -2.824 -9.741 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.180 -1.904 -8.509 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.042 -1.045 -9.807 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.543 -2.842 -9.737 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.605 -1.064 -9.801 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.448 -1.938 -8.499 1.00 0.00 H new ATOM 561 N VAL A 39 5.466 1.866 -5.932 1.00 0.00 N ATOM 562 CA VAL A 39 5.706 3.003 -5.051 1.00 0.00 C ATOM 563 C VAL A 39 6.406 2.566 -3.769 1.00 0.00 C ATOM 564 O VAL A 39 6.095 1.515 -3.207 1.00 0.00 O ATOM 565 CB VAL A 39 4.391 3.717 -4.686 1.00 0.00 C ATOM 566 CG1 VAL A 39 4.626 4.741 -3.586 1.00 0.00 C ATOM 567 CG2 VAL A 39 3.784 4.375 -5.916 1.00 0.00 C ATOM 0 H VAL A 39 4.969 1.090 -5.494 1.00 0.00 H new ATOM 0 HA VAL A 39 6.348 3.695 -5.595 1.00 0.00 H new ATOM 0 HB VAL A 39 3.686 2.974 -4.313 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.686 5.235 -3.342 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.014 4.240 -2.699 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.348 5.483 -3.928 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.855 4.875 -5.640 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.484 5.106 -6.320 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.577 3.616 -6.670 1.00 0.00 H new ATOM 577 N ILE A 40 7.352 3.379 -3.312 1.00 0.00 N ATOM 578 CA ILE A 40 8.095 3.078 -2.095 1.00 0.00 C ATOM 579 C ILE A 40 7.531 3.842 -0.902 1.00 0.00 C ATOM 580 O ILE A 40 7.240 5.035 -0.998 1.00 0.00 O ATOM 581 CB ILE A 40 9.589 3.418 -2.249 1.00 0.00 C ATOM 582 CG1 ILE A 40 10.175 2.705 -3.469 1.00 0.00 C ATOM 583 CG2 ILE A 40 10.352 3.037 -0.989 1.00 0.00 C ATOM 584 CD1 ILE A 40 10.130 1.197 -3.367 1.00 0.00 C ATOM 0 H ILE A 40 7.622 4.251 -3.766 1.00 0.00 H new ATOM 0 HA ILE A 40 7.991 2.007 -1.919 1.00 0.00 H new ATOM 0 HB ILE A 40 9.687 4.493 -2.399 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.629 3.017 -4.359 1.00 0.00 H new ATOM 0 HG13 ILE A 40 11.210 3.021 -3.602 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.406 3.284 -1.114 1.00 0.00 H new ATOM 0 HG22 ILE A 40 9.949 3.587 -0.139 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.248 1.967 -0.810 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.562 0.758 -4.267 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.700 0.874 -2.496 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.095 0.870 -3.265 1.00 0.00 H new ATOM 596 N ILE A 41 7.381 3.148 0.221 1.00 0.00 N ATOM 597 CA ILE A 41 6.855 3.763 1.433 1.00 0.00 C ATOM 598 C ILE A 41 7.752 3.471 2.632 1.00 0.00 C ATOM 599 O ILE A 41 8.163 2.332 2.848 1.00 0.00 O ATOM 600 CB ILE A 41 5.429 3.269 1.742 1.00 0.00 C ATOM 601 CG1 ILE A 41 4.498 3.564 0.564 1.00 0.00 C ATOM 602 CG2 ILE A 41 4.906 3.920 3.013 1.00 0.00 C ATOM 603 CD1 ILE A 41 3.373 2.563 0.417 1.00 0.00 C ATOM 0 H ILE A 41 7.616 2.160 0.317 1.00 0.00 H new ATOM 0 HA ILE A 41 6.828 4.838 1.255 1.00 0.00 H new ATOM 0 HB ILE A 41 5.459 2.190 1.896 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.073 4.560 0.688 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.083 3.579 -0.356 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.897 3.561 3.217 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.559 3.664 3.848 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.887 5.002 2.886 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.754 2.835 -0.438 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.790 1.568 0.261 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.764 2.564 1.321 1.00 0.00 H new ATOM 615 N GLU A 42 8.050 4.509 3.407 1.00 0.00 N ATOM 616 CA GLU A 42 8.898 4.363 4.584 1.00 0.00 C ATOM 617 C GLU A 42 8.055 4.220 5.848 1.00 0.00 C ATOM 618 O GLU A 42 7.024 4.877 5.996 1.00 0.00 O ATOM 619 CB GLU A 42 9.836 5.564 4.717 1.00 0.00 C ATOM 620 CG GLU A 42 10.526 5.652 6.068 1.00 0.00 C ATOM 621 CD GLU A 42 11.117 7.023 6.334 1.00 0.00 C ATOM 622 OE1 GLU A 42 11.996 7.451 5.557 1.00 0.00 O ATOM 623 OE2 GLU A 42 10.699 7.667 7.319 1.00 0.00 O ATOM 0 H GLU A 42 7.717 5.459 3.241 1.00 0.00 H new ATOM 0 HA GLU A 42 9.493 3.458 4.461 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.593 5.511 3.935 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.267 6.479 4.549 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.810 5.411 6.854 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.317 4.904 6.117 1.00 0.00 H new ATOM 630 N SER A 43 8.500 3.358 6.756 1.00 0.00 N ATOM 631 CA SER A 43 7.785 3.125 8.005 1.00 0.00 C ATOM 632 C SER A 43 8.296 4.051 9.104 1.00 0.00 C ATOM 633 O SER A 43 9.256 4.795 8.907 1.00 0.00 O ATOM 634 CB SER A 43 7.937 1.666 8.440 1.00 0.00 C ATOM 635 OG SER A 43 9.199 1.444 9.046 1.00 0.00 O ATOM 0 H SER A 43 9.353 2.809 6.650 1.00 0.00 H new ATOM 0 HA SER A 43 6.729 3.338 7.836 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.143 1.407 9.141 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.825 1.012 7.575 1.00 0.00 H new ATOM 0 HG SER A 43 9.791 0.988 8.412 1.00 0.00 H new ATOM 641 N MET A 44 7.646 3.999 10.262 1.00 0.00 N ATOM 642 CA MET A 44 8.034 4.833 11.394 1.00 0.00 C ATOM 643 C MET A 44 8.449 3.974 12.585 1.00 0.00 C ATOM 644 O MET A 44 9.628 3.903 12.932 1.00 0.00 O ATOM 645 CB MET A 44 6.882 5.757 11.794 1.00 0.00 C ATOM 646 CG MET A 44 6.194 6.416 10.610 1.00 0.00 C ATOM 647 SD MET A 44 6.977 7.966 10.125 1.00 0.00 S ATOM 648 CE MET A 44 6.189 8.265 8.545 1.00 0.00 C ATOM 0 H MET A 44 6.849 3.389 10.441 1.00 0.00 H new ATOM 0 HA MET A 44 8.887 5.439 11.090 1.00 0.00 H new ATOM 0 HB2 MET A 44 6.146 5.184 12.359 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.262 6.531 12.460 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.201 5.730 9.763 1.00 0.00 H new ATOM 0 HG3 MET A 44 5.150 6.604 10.860 1.00 0.00 H new ATOM 0 HE1 MET A 44 5.964 9.327 8.446 1.00 0.00 H new ATOM 0 HE2 MET A 44 6.858 7.959 7.741 1.00 0.00 H new ATOM 0 HE3 MET A 44 5.264 7.691 8.485 1.00 0.00 H new ATOM 658 N THR A 45 7.471 3.323 13.208 1.00 0.00 N ATOM 659 CA THR A 45 7.735 2.471 14.361 1.00 0.00 C ATOM 660 C THR A 45 6.467 1.759 14.819 1.00 0.00 C ATOM 661 O THR A 45 5.380 2.013 14.303 1.00 0.00 O ATOM 662 CB THR A 45 8.310 3.280 15.539 1.00 0.00 C ATOM 663 OG1 THR A 45 8.689 2.398 16.600 1.00 0.00 O ATOM 664 CG2 THR A 45 7.293 4.289 16.050 1.00 0.00 C ATOM 0 H THR A 45 6.490 3.370 12.933 1.00 0.00 H new ATOM 0 HA THR A 45 8.471 1.731 14.045 1.00 0.00 H new ATOM 0 HB THR A 45 9.188 3.820 15.186 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.055 2.920 17.344 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.722 4.848 16.882 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.029 4.978 15.247 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.399 3.765 16.388 1.00 0.00 H new ATOM 672 N ASN A 46 6.615 0.866 15.793 1.00 0.00 N ATOM 673 CA ASN A 46 5.480 0.117 16.321 1.00 0.00 C ATOM 674 C ASN A 46 4.701 -0.556 15.195 1.00 0.00 C ATOM 675 O ASN A 46 3.482 -0.712 15.276 1.00 0.00 O ATOM 676 CB ASN A 46 4.555 1.043 17.113 1.00 0.00 C ATOM 677 CG ASN A 46 3.818 0.315 18.220 1.00 0.00 C ATOM 678 OD1 ASN A 46 4.214 0.369 19.385 1.00 0.00 O ATOM 679 ND2 ASN A 46 2.739 -0.371 17.861 1.00 0.00 N ATOM 0 H ASN A 46 7.508 0.644 16.232 1.00 0.00 H new ATOM 0 HA ASN A 46 5.865 -0.656 16.986 1.00 0.00 H new ATOM 0 HB2 ASN A 46 5.140 1.856 17.543 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.831 1.496 16.435 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.202 -0.881 18.563 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.447 -0.388 16.884 1.00 0.00 H new ATOM 686 N LEU A 47 5.413 -0.954 14.146 1.00 0.00 N ATOM 687 CA LEU A 47 4.789 -1.611 13.003 1.00 0.00 C ATOM 688 C LEU A 47 4.559 -3.092 13.286 1.00 0.00 C ATOM 689 O LEU A 47 5.464 -3.819 13.696 1.00 0.00 O ATOM 690 CB LEU A 47 5.661 -1.448 11.757 1.00 0.00 C ATOM 691 CG LEU A 47 5.417 -0.187 10.928 1.00 0.00 C ATOM 692 CD1 LEU A 47 6.275 0.961 11.437 1.00 0.00 C ATOM 693 CD2 LEU A 47 5.699 -0.453 9.456 1.00 0.00 C ATOM 0 H LEU A 47 6.422 -0.833 14.064 1.00 0.00 H new ATOM 0 HA LEU A 47 3.823 -1.139 12.827 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.706 -1.459 12.066 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.509 -2.316 11.115 1.00 0.00 H new ATOM 0 HG LEU A 47 4.369 0.095 11.032 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.088 1.850 10.835 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.025 1.168 12.478 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.328 0.688 11.364 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.520 0.456 8.881 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.738 -0.761 9.334 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.042 -1.245 9.097 1.00 0.00 H new ATOM 705 N PRO A 48 3.319 -3.553 13.060 1.00 0.00 N ATOM 706 CA PRO A 48 2.942 -4.952 13.282 1.00 0.00 C ATOM 707 C PRO A 48 3.581 -5.892 12.266 1.00 0.00 C ATOM 708 O PRO A 48 3.989 -5.485 11.178 1.00 0.00 O ATOM 709 CB PRO A 48 1.420 -4.939 13.115 1.00 0.00 C ATOM 710 CG PRO A 48 1.145 -3.769 12.234 1.00 0.00 C ATOM 711 CD PRO A 48 2.191 -2.743 12.572 1.00 0.00 C ATOM 0 HA PRO A 48 3.275 -5.315 14.254 1.00 0.00 H new ATOM 0 HB2 PRO A 48 1.063 -5.866 12.665 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.917 -4.837 14.077 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.200 -4.051 11.182 1.00 0.00 H new ATOM 0 HG3 PRO A 48 0.143 -3.377 12.407 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.469 -2.151 11.700 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.839 -2.046 13.332 1.00 0.00 H new ATOM 719 N PRO A 49 3.672 -7.181 12.627 1.00 0.00 N ATOM 720 CA PRO A 49 4.260 -8.206 11.760 1.00 0.00 C ATOM 721 C PRO A 49 3.390 -8.506 10.544 1.00 0.00 C ATOM 722 O PRO A 49 2.654 -9.492 10.522 1.00 0.00 O ATOM 723 CB PRO A 49 4.347 -9.434 12.670 1.00 0.00 C ATOM 724 CG PRO A 49 3.284 -9.223 13.693 1.00 0.00 C ATOM 725 CD PRO A 49 3.206 -7.737 13.908 1.00 0.00 C ATOM 0 HA PRO A 49 5.221 -7.892 11.352 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.181 -10.354 12.110 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.331 -9.515 13.132 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.328 -9.618 13.350 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.528 -9.739 14.621 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.190 -7.417 14.139 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.837 -7.418 14.738 1.00 0.00 H new ATOM 733 N VAL A 50 3.480 -7.649 9.532 1.00 0.00 N ATOM 734 CA VAL A 50 2.702 -7.823 8.311 1.00 0.00 C ATOM 735 C VAL A 50 3.591 -8.253 7.150 1.00 0.00 C ATOM 736 O VAL A 50 4.712 -7.769 7.000 1.00 0.00 O ATOM 737 CB VAL A 50 1.965 -6.527 7.925 1.00 0.00 C ATOM 738 CG1 VAL A 50 0.712 -6.353 8.770 1.00 0.00 C ATOM 739 CG2 VAL A 50 2.887 -5.326 8.073 1.00 0.00 C ATOM 0 H VAL A 50 4.084 -6.827 9.534 1.00 0.00 H new ATOM 0 HA VAL A 50 1.968 -8.603 8.512 1.00 0.00 H new ATOM 0 HB VAL A 50 1.663 -6.599 6.880 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.205 -5.432 8.483 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.045 -7.200 8.610 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.988 -6.302 9.823 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.350 -4.419 7.796 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.221 -5.249 9.108 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.752 -5.449 7.421 1.00 0.00 H new ATOM 749 N ASN A 51 3.082 -9.167 6.329 1.00 0.00 N ATOM 750 CA ASN A 51 3.830 -9.664 5.180 1.00 0.00 C ATOM 751 C ASN A 51 3.317 -9.040 3.886 1.00 0.00 C ATOM 752 O ASN A 51 2.426 -8.191 3.906 1.00 0.00 O ATOM 753 CB ASN A 51 3.730 -11.189 5.100 1.00 0.00 C ATOM 754 CG ASN A 51 4.762 -11.883 5.968 1.00 0.00 C ATOM 755 OD1 ASN A 51 5.899 -12.098 5.547 1.00 0.00 O ATOM 756 ND2 ASN A 51 4.369 -12.237 7.186 1.00 0.00 N ATOM 0 H ASN A 51 2.155 -9.578 6.438 1.00 0.00 H new ATOM 0 HA ASN A 51 4.875 -9.382 5.309 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.732 -11.501 5.407 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.859 -11.505 4.065 1.00 0.00 H new ATOM 0 HD21 ASN A 51 5.020 -12.707 7.815 1.00 0.00 H new ATOM 0 HD22 ASN A 51 3.417 -12.038 7.492 1.00 0.00 H new ATOM 763 N GLU A 52 3.884 -9.469 2.763 1.00 0.00 N ATOM 764 CA GLU A 52 3.484 -8.952 1.460 1.00 0.00 C ATOM 765 C GLU A 52 1.973 -9.057 1.274 1.00 0.00 C ATOM 766 O GLU A 52 1.304 -8.069 0.971 1.00 0.00 O ATOM 767 CB GLU A 52 4.200 -9.713 0.342 1.00 0.00 C ATOM 768 CG GLU A 52 5.710 -9.759 0.508 1.00 0.00 C ATOM 769 CD GLU A 52 6.168 -10.930 1.356 1.00 0.00 C ATOM 770 OE1 GLU A 52 5.805 -12.078 1.029 1.00 0.00 O ATOM 771 OE2 GLU A 52 6.891 -10.696 2.347 1.00 0.00 O ATOM 0 H GLU A 52 4.621 -10.173 2.729 1.00 0.00 H new ATOM 0 HA GLU A 52 3.767 -7.900 1.413 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.816 -10.732 0.304 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.962 -9.247 -0.614 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.178 -9.822 -0.474 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.050 -8.830 0.965 1.00 0.00 H new ATOM 778 N GLU A 53 1.442 -10.262 1.457 1.00 0.00 N ATOM 779 CA GLU A 53 0.010 -10.497 1.308 1.00 0.00 C ATOM 780 C GLU A 53 -0.795 -9.397 1.994 1.00 0.00 C ATOM 781 O GLU A 53 -1.957 -9.161 1.660 1.00 0.00 O ATOM 782 CB GLU A 53 -0.369 -11.860 1.890 1.00 0.00 C ATOM 783 CG GLU A 53 -1.765 -12.320 1.504 1.00 0.00 C ATOM 784 CD GLU A 53 -2.177 -13.594 2.216 1.00 0.00 C ATOM 785 OE1 GLU A 53 -2.413 -13.540 3.441 1.00 0.00 O ATOM 786 OE2 GLU A 53 -2.265 -14.644 1.546 1.00 0.00 O ATOM 0 H GLU A 53 1.981 -11.090 1.709 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.226 -10.487 0.244 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.355 -12.603 1.555 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.298 -11.814 2.977 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.481 -11.531 1.736 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.806 -12.481 0.427 1.00 0.00 H new ATOM 793 N THR A 54 -0.170 -8.726 2.957 1.00 0.00 N ATOM 794 CA THR A 54 -0.827 -7.653 3.691 1.00 0.00 C ATOM 795 C THR A 54 -1.248 -6.524 2.756 1.00 0.00 C ATOM 796 O THR A 54 -0.484 -6.109 1.885 1.00 0.00 O ATOM 797 CB THR A 54 0.089 -7.080 4.789 1.00 0.00 C ATOM 798 OG1 THR A 54 0.571 -8.137 5.626 1.00 0.00 O ATOM 799 CG2 THR A 54 -0.654 -6.056 5.634 1.00 0.00 C ATOM 0 H THR A 54 0.791 -8.908 3.246 1.00 0.00 H new ATOM 0 HA THR A 54 -1.713 -8.085 4.156 1.00 0.00 H new ATOM 0 HB THR A 54 0.932 -6.586 4.306 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.148 -8.732 5.102 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.013 -5.665 6.402 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.994 -5.238 4.999 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.514 -6.530 6.107 1.00 0.00 H new ATOM 807 N VAL A 55 -2.468 -6.031 2.944 1.00 0.00 N ATOM 808 CA VAL A 55 -2.990 -4.948 2.118 1.00 0.00 C ATOM 809 C VAL A 55 -2.724 -3.591 2.759 1.00 0.00 C ATOM 810 O VAL A 55 -2.735 -3.458 3.983 1.00 0.00 O ATOM 811 CB VAL A 55 -4.504 -5.103 1.880 1.00 0.00 C ATOM 812 CG1 VAL A 55 -4.984 -4.112 0.831 1.00 0.00 C ATOM 813 CG2 VAL A 55 -4.834 -6.530 1.469 1.00 0.00 C ATOM 0 H VAL A 55 -3.113 -6.364 3.660 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.472 -5.002 1.161 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.025 -4.888 2.813 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.056 -4.236 0.676 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.782 -3.096 1.171 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.459 -4.292 -0.107 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.908 -6.622 1.305 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.304 -6.775 0.549 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.527 -7.216 2.258 1.00 0.00 H new ATOM 823 N ILE A 56 -2.485 -2.585 1.924 1.00 0.00 N ATOM 824 CA ILE A 56 -2.217 -1.237 2.410 1.00 0.00 C ATOM 825 C ILE A 56 -3.372 -0.296 2.084 1.00 0.00 C ATOM 826 O ILE A 56 -3.691 -0.068 0.917 1.00 0.00 O ATOM 827 CB ILE A 56 -0.920 -0.668 1.805 1.00 0.00 C ATOM 828 CG1 ILE A 56 0.238 -1.645 2.015 1.00 0.00 C ATOM 829 CG2 ILE A 56 -0.597 0.685 2.422 1.00 0.00 C ATOM 830 CD1 ILE A 56 0.432 -2.051 3.459 1.00 0.00 C ATOM 0 H ILE A 56 -2.472 -2.678 0.908 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.103 -1.308 3.492 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.066 -0.532 0.733 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.062 -2.538 1.415 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.158 -1.190 1.647 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.322 1.074 1.984 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.414 1.379 2.226 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.467 0.572 3.498 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.270 -2.744 3.533 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.639 -1.166 4.061 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.473 -2.535 3.826 1.00 0.00 H new ATOM 842 N PHE A 57 -3.995 0.249 3.124 1.00 0.00 N ATOM 843 CA PHE A 57 -5.115 1.166 2.949 1.00 0.00 C ATOM 844 C PHE A 57 -4.631 2.613 2.906 1.00 0.00 C ATOM 845 O PHE A 57 -3.635 2.966 3.537 1.00 0.00 O ATOM 846 CB PHE A 57 -6.129 0.989 4.081 1.00 0.00 C ATOM 847 CG PHE A 57 -6.996 -0.227 3.923 1.00 0.00 C ATOM 848 CD1 PHE A 57 -6.431 -1.486 3.797 1.00 0.00 C ATOM 849 CD2 PHE A 57 -8.377 -0.112 3.902 1.00 0.00 C ATOM 850 CE1 PHE A 57 -7.226 -2.607 3.652 1.00 0.00 C ATOM 851 CE2 PHE A 57 -9.178 -1.230 3.757 1.00 0.00 C ATOM 852 CZ PHE A 57 -8.601 -2.478 3.633 1.00 0.00 C ATOM 0 H PHE A 57 -3.743 0.071 4.096 1.00 0.00 H new ATOM 0 HA PHE A 57 -5.597 0.934 1.999 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -5.596 0.925 5.029 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -6.763 1.874 4.132 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.356 -1.592 3.812 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -8.833 0.862 4.000 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -6.773 -3.582 3.554 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -10.253 -1.127 3.741 1.00 0.00 H new ATOM 0 HZ PHE A 57 -9.224 -3.353 3.521 1.00 0.00 H new ATOM 862 N LYS A 58 -5.344 3.447 2.157 1.00 0.00 N ATOM 863 CA LYS A 58 -4.990 4.856 2.031 1.00 0.00 C ATOM 864 C LYS A 58 -5.599 5.674 3.166 1.00 0.00 C ATOM 865 O LYS A 58 -6.457 5.188 3.902 1.00 0.00 O ATOM 866 CB LYS A 58 -5.464 5.403 0.682 1.00 0.00 C ATOM 867 CG LYS A 58 -4.475 5.176 -0.448 1.00 0.00 C ATOM 868 CD LYS A 58 -5.180 5.046 -1.788 1.00 0.00 C ATOM 869 CE LYS A 58 -6.170 6.180 -2.009 1.00 0.00 C ATOM 870 NZ LYS A 58 -6.868 6.058 -3.319 1.00 0.00 N ATOM 0 H LYS A 58 -6.171 3.171 1.628 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.905 4.939 2.089 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.413 4.934 0.423 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.653 6.472 0.779 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.768 6.005 -0.486 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.897 4.273 -0.251 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.442 5.044 -2.590 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.703 4.091 -1.834 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.905 6.182 -1.204 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.645 7.134 -1.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.591 6.849 -3.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.604 5.159 -3.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.897 6.080 -3.168 1.00 0.00 H new ATOM 884 N SER A 59 -5.150 6.917 3.299 1.00 0.00 N ATOM 885 CA SER A 59 -5.649 7.802 4.346 1.00 0.00 C ATOM 886 C SER A 59 -7.153 8.017 4.204 1.00 0.00 C ATOM 887 O SER A 59 -7.850 8.277 5.185 1.00 0.00 O ATOM 888 CB SER A 59 -4.923 9.147 4.296 1.00 0.00 C ATOM 889 OG SER A 59 -5.132 9.793 3.052 1.00 0.00 O ATOM 0 H SER A 59 -4.442 7.335 2.695 1.00 0.00 H new ATOM 0 HA SER A 59 -5.456 7.329 5.309 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.278 9.786 5.105 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.856 8.994 4.455 1.00 0.00 H new ATOM 0 HG SER A 59 -4.659 10.651 3.046 1.00 0.00 H new ATOM 895 N ASP A 60 -7.646 7.907 2.976 1.00 0.00 N ATOM 896 CA ASP A 60 -9.067 8.088 2.703 1.00 0.00 C ATOM 897 C ASP A 60 -9.818 6.766 2.832 1.00 0.00 C ATOM 898 O ASP A 60 -10.918 6.611 2.300 1.00 0.00 O ATOM 899 CB ASP A 60 -9.270 8.670 1.303 1.00 0.00 C ATOM 900 CG ASP A 60 -8.936 10.147 1.236 1.00 0.00 C ATOM 901 OD1 ASP A 60 -9.341 10.889 2.156 1.00 0.00 O ATOM 902 OD2 ASP A 60 -8.270 10.561 0.264 1.00 0.00 O ATOM 0 H ASP A 60 -7.083 7.693 2.153 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.467 8.786 3.439 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.646 8.127 0.593 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.305 8.520 0.997 1.00 0.00 H new ATOM 907 N ARG A 61 -9.217 5.816 3.540 1.00 0.00 N ATOM 908 CA ARG A 61 -9.827 4.507 3.737 1.00 0.00 C ATOM 909 C ARG A 61 -10.071 3.815 2.399 1.00 0.00 C ATOM 910 O ARG A 61 -11.182 3.366 2.116 1.00 0.00 O ATOM 911 CB ARG A 61 -11.146 4.645 4.500 1.00 0.00 C ATOM 912 CG ARG A 61 -10.995 5.301 5.863 1.00 0.00 C ATOM 913 CD ARG A 61 -12.167 4.968 6.773 1.00 0.00 C ATOM 914 NE ARG A 61 -11.896 5.320 8.165 1.00 0.00 N ATOM 915 CZ ARG A 61 -12.090 6.534 8.667 1.00 0.00 C ATOM 916 NH1 ARG A 61 -12.555 7.507 7.897 1.00 0.00 N ATOM 917 NH2 ARG A 61 -11.820 6.776 9.944 1.00 0.00 N ATOM 0 H ARG A 61 -8.307 5.929 3.987 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.139 3.897 4.322 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.844 5.229 3.900 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.587 3.656 4.629 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -10.066 4.969 6.327 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -10.922 6.382 5.742 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -13.055 5.500 6.431 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -12.388 3.903 6.705 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.538 4.593 8.785 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -12.765 7.325 6.916 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -12.703 8.438 8.286 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -11.463 6.029 10.540 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.969 7.709 10.329 1.00 0.00 H new ATOM 931 N GLN A 62 -9.027 3.732 1.582 1.00 0.00 N ATOM 932 CA GLN A 62 -9.128 3.096 0.274 1.00 0.00 C ATOM 933 C GLN A 62 -7.947 2.164 0.029 1.00 0.00 C ATOM 934 O GLN A 62 -6.805 2.609 -0.084 1.00 0.00 O ATOM 935 CB GLN A 62 -9.195 4.155 -0.828 1.00 0.00 C ATOM 936 CG GLN A 62 -10.611 4.592 -1.166 1.00 0.00 C ATOM 937 CD GLN A 62 -10.650 5.888 -1.952 1.00 0.00 C ATOM 938 OE1 GLN A 62 -10.783 5.881 -3.176 1.00 0.00 O ATOM 939 NE2 GLN A 62 -10.533 7.010 -1.251 1.00 0.00 N ATOM 0 H GLN A 62 -8.101 4.097 1.803 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.043 2.505 0.256 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.619 5.027 -0.518 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.720 3.762 -1.727 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.102 3.807 -1.742 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.180 4.713 -0.244 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.425 6.969 -0.238 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.552 7.912 -1.726 1.00 0.00 H new ATOM 948 N ALA A 63 -8.229 0.867 -0.052 1.00 0.00 N ATOM 949 CA ALA A 63 -7.190 -0.128 -0.286 1.00 0.00 C ATOM 950 C ALA A 63 -6.361 0.223 -1.517 1.00 0.00 C ATOM 951 O ALA A 63 -6.723 -0.126 -2.640 1.00 0.00 O ATOM 952 CB ALA A 63 -7.807 -1.510 -0.438 1.00 0.00 C ATOM 0 H ALA A 63 -9.169 0.481 0.041 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.525 -0.133 0.578 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.019 -2.243 -0.612 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.349 -1.769 0.472 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.496 -1.510 -1.283 1.00 0.00 H new ATOM 958 N ALA A 64 -5.247 0.915 -1.297 1.00 0.00 N ATOM 959 CA ALA A 64 -4.367 1.311 -2.389 1.00 0.00 C ATOM 960 C ALA A 64 -3.822 0.092 -3.125 1.00 0.00 C ATOM 961 O ALA A 64 -3.581 0.139 -4.331 1.00 0.00 O ATOM 962 CB ALA A 64 -3.224 2.166 -1.862 1.00 0.00 C ATOM 0 H ALA A 64 -4.933 1.212 -0.373 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.950 1.899 -3.097 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.575 2.455 -2.688 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.628 3.061 -1.388 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.650 1.596 -1.132 1.00 0.00 H new ATOM 968 N GLY A 65 -3.630 -1.000 -2.391 1.00 0.00 N ATOM 969 CA GLY A 65 -3.114 -2.216 -2.992 1.00 0.00 C ATOM 970 C GLY A 65 -2.328 -3.061 -2.008 1.00 0.00 C ATOM 971 O GLY A 65 -2.060 -2.632 -0.885 1.00 0.00 O ATOM 0 H GLY A 65 -3.823 -1.064 -1.391 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.943 -2.802 -3.388 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.475 -1.957 -3.836 1.00 0.00 H new ATOM 975 N LYS A 66 -1.958 -4.266 -2.428 1.00 0.00 N ATOM 976 CA LYS A 66 -1.199 -5.174 -1.577 1.00 0.00 C ATOM 977 C LYS A 66 0.301 -4.964 -1.760 1.00 0.00 C ATOM 978 O LYS A 66 0.758 -4.599 -2.843 1.00 0.00 O ATOM 979 CB LYS A 66 -1.564 -6.626 -1.892 1.00 0.00 C ATOM 980 CG LYS A 66 -2.751 -7.141 -1.097 1.00 0.00 C ATOM 981 CD LYS A 66 -3.018 -8.610 -1.381 1.00 0.00 C ATOM 982 CE LYS A 66 -4.351 -9.057 -0.801 1.00 0.00 C ATOM 983 NZ LYS A 66 -4.513 -10.536 -0.858 1.00 0.00 N ATOM 0 H LYS A 66 -2.172 -4.637 -3.354 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.454 -4.959 -0.539 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -1.784 -6.714 -2.956 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.701 -7.260 -1.692 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.564 -7.004 -0.032 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.637 -6.555 -1.343 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.013 -8.780 -2.458 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.215 -9.215 -0.959 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.427 -8.723 0.234 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.164 -8.581 -1.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.434 -10.800 -0.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.466 -10.852 -1.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.752 -10.990 -0.313 1.00 0.00 H new ATOM 997 N ILE A 67 1.060 -5.199 -0.695 1.00 0.00 N ATOM 998 CA ILE A 67 2.508 -5.038 -0.740 1.00 0.00 C ATOM 999 C ILE A 67 3.123 -5.898 -1.839 1.00 0.00 C ATOM 1000 O ILE A 67 2.949 -7.117 -1.859 1.00 0.00 O ATOM 1001 CB ILE A 67 3.158 -5.405 0.608 1.00 0.00 C ATOM 1002 CG1 ILE A 67 2.989 -4.261 1.609 1.00 0.00 C ATOM 1003 CG2 ILE A 67 4.630 -5.734 0.414 1.00 0.00 C ATOM 1004 CD1 ILE A 67 2.931 -4.721 3.049 1.00 0.00 C ATOM 0 H ILE A 67 0.697 -5.501 0.209 1.00 0.00 H new ATOM 0 HA ILE A 67 2.702 -3.987 -0.953 1.00 0.00 H new ATOM 0 HB ILE A 67 2.658 -6.288 1.007 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.817 -3.562 1.493 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.075 -3.715 1.373 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.075 -5.991 1.375 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.727 -6.578 -0.268 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.144 -4.869 -0.004 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.810 -3.857 3.702 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.086 -5.397 3.181 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.855 -5.241 3.302 1.00 0.00 H new ATOM 1016 N PHE A 68 3.844 -5.255 -2.752 1.00 0.00 N ATOM 1017 CA PHE A 68 4.487 -5.961 -3.854 1.00 0.00 C ATOM 1018 C PHE A 68 5.868 -6.466 -3.446 1.00 0.00 C ATOM 1019 O PHE A 68 6.275 -7.564 -3.824 1.00 0.00 O ATOM 1020 CB PHE A 68 4.606 -5.045 -5.074 1.00 0.00 C ATOM 1021 CG PHE A 68 5.767 -5.381 -5.965 1.00 0.00 C ATOM 1022 CD1 PHE A 68 5.655 -6.372 -6.927 1.00 0.00 C ATOM 1023 CD2 PHE A 68 6.971 -4.707 -5.841 1.00 0.00 C ATOM 1024 CE1 PHE A 68 6.722 -6.684 -7.748 1.00 0.00 C ATOM 1025 CE2 PHE A 68 8.042 -5.014 -6.659 1.00 0.00 C ATOM 1026 CZ PHE A 68 7.917 -6.003 -7.615 1.00 0.00 C ATOM 0 H PHE A 68 3.997 -4.247 -2.750 1.00 0.00 H new ATOM 0 HA PHE A 68 3.868 -6.820 -4.112 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.685 -5.104 -5.654 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.705 -4.014 -4.736 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.723 -6.907 -7.036 1.00 0.00 H new ATOM 0 HD2 PHE A 68 7.074 -3.932 -5.096 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.622 -7.459 -8.493 1.00 0.00 H new ATOM 0 HE2 PHE A 68 8.975 -4.481 -6.551 1.00 0.00 H new ATOM 0 HZ PHE A 68 8.751 -6.244 -8.257 1.00 0.00 H new ATOM 1036 N GLU A 69 6.583 -5.655 -2.673 1.00 0.00 N ATOM 1037 CA GLU A 69 7.918 -6.019 -2.215 1.00 0.00 C ATOM 1038 C GLU A 69 8.321 -5.190 -0.998 1.00 0.00 C ATOM 1039 O GLU A 69 7.902 -4.041 -0.850 1.00 0.00 O ATOM 1040 CB GLU A 69 8.938 -5.823 -3.338 1.00 0.00 C ATOM 1041 CG GLU A 69 10.379 -6.001 -2.891 1.00 0.00 C ATOM 1042 CD GLU A 69 11.290 -6.443 -4.020 1.00 0.00 C ATOM 1043 OE1 GLU A 69 10.913 -7.381 -4.753 1.00 0.00 O ATOM 1044 OE2 GLU A 69 12.379 -5.851 -4.170 1.00 0.00 O ATOM 0 H GLU A 69 6.260 -4.742 -2.351 1.00 0.00 H new ATOM 0 HA GLU A 69 7.901 -7.070 -1.928 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.725 -6.532 -4.138 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.817 -4.824 -3.756 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.747 -5.061 -2.480 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.418 -6.737 -2.088 1.00 0.00 H new ATOM 1051 N ILE A 70 9.134 -5.781 -0.130 1.00 0.00 N ATOM 1052 CA ILE A 70 9.593 -5.098 1.073 1.00 0.00 C ATOM 1053 C ILE A 70 11.112 -5.164 1.197 1.00 0.00 C ATOM 1054 O ILE A 70 11.711 -6.230 1.059 1.00 0.00 O ATOM 1055 CB ILE A 70 8.960 -5.703 2.340 1.00 0.00 C ATOM 1056 CG1 ILE A 70 7.434 -5.638 2.255 1.00 0.00 C ATOM 1057 CG2 ILE A 70 9.457 -4.975 3.580 1.00 0.00 C ATOM 1058 CD1 ILE A 70 6.734 -6.272 3.436 1.00 0.00 C ATOM 0 H ILE A 70 9.489 -6.731 -0.237 1.00 0.00 H new ATOM 0 HA ILE A 70 9.283 -4.057 0.983 1.00 0.00 H new ATOM 0 HB ILE A 70 9.257 -6.749 2.412 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.127 -4.595 2.178 1.00 0.00 H new ATOM 0 HG13 ILE A 70 7.108 -6.134 1.341 1.00 0.00 H new ATOM 0 HG21 ILE A 70 9.001 -5.414 4.467 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.541 -5.067 3.646 1.00 0.00 H new ATOM 0 HG23 ILE A 70 9.186 -3.921 3.516 1.00 0.00 H new ATOM 0 HD11 ILE A 70 5.655 -6.189 3.307 1.00 0.00 H new ATOM 0 HD12 ILE A 70 7.011 -7.324 3.501 1.00 0.00 H new ATOM 0 HD13 ILE A 70 7.031 -5.761 4.352 1.00 0.00 H new ATOM 1070 N PHE A 71 11.729 -4.016 1.460 1.00 0.00 N ATOM 1071 CA PHE A 71 13.178 -3.943 1.604 1.00 0.00 C ATOM 1072 C PHE A 71 13.565 -2.979 2.721 1.00 0.00 C ATOM 1073 O PHE A 71 12.724 -2.252 3.248 1.00 0.00 O ATOM 1074 CB PHE A 71 13.820 -3.500 0.288 1.00 0.00 C ATOM 1075 CG PHE A 71 13.288 -2.195 -0.230 1.00 0.00 C ATOM 1076 CD1 PHE A 71 13.511 -1.016 0.464 1.00 0.00 C ATOM 1077 CD2 PHE A 71 12.564 -2.146 -1.410 1.00 0.00 C ATOM 1078 CE1 PHE A 71 13.024 0.187 -0.010 1.00 0.00 C ATOM 1079 CE2 PHE A 71 12.074 -0.945 -1.889 1.00 0.00 C ATOM 1080 CZ PHE A 71 12.303 0.222 -1.187 1.00 0.00 C ATOM 0 H PHE A 71 11.248 -3.124 1.578 1.00 0.00 H new ATOM 0 HA PHE A 71 13.543 -4.937 1.863 1.00 0.00 H new ATOM 0 HB2 PHE A 71 14.897 -3.413 0.430 1.00 0.00 H new ATOM 0 HB3 PHE A 71 13.659 -4.273 -0.464 1.00 0.00 H new ATOM 0 HD1 PHE A 71 14.072 -1.038 1.386 1.00 0.00 H new ATOM 0 HD2 PHE A 71 12.380 -3.056 -1.962 1.00 0.00 H new ATOM 0 HE1 PHE A 71 13.207 1.099 0.539 1.00 0.00 H new ATOM 0 HE2 PHE A 71 11.513 -0.920 -2.811 1.00 0.00 H new ATOM 0 HZ PHE A 71 11.919 1.161 -1.558 1.00 0.00 H new ATOM 1090 N GLY A 72 14.846 -2.979 3.078 1.00 0.00 N ATOM 1091 CA GLY A 72 15.324 -2.102 4.131 1.00 0.00 C ATOM 1092 C GLY A 72 15.701 -2.858 5.389 1.00 0.00 C ATOM 1093 O GLY A 72 15.848 -4.081 5.384 1.00 0.00 O ATOM 0 H GLY A 72 15.562 -3.571 2.656 1.00 0.00 H new ATOM 0 HA2 GLY A 72 16.190 -1.546 3.771 1.00 0.00 H new ATOM 0 HA3 GLY A 72 14.552 -1.370 4.368 1.00 0.00 H new ATOM 1097 N PRO A 73 15.865 -2.123 6.499 1.00 0.00 N ATOM 1098 CA PRO A 73 16.231 -2.712 7.791 1.00 0.00 C ATOM 1099 C PRO A 73 15.102 -3.543 8.390 1.00 0.00 C ATOM 1100 O PRO A 73 14.156 -3.915 7.696 1.00 0.00 O ATOM 1101 CB PRO A 73 16.520 -1.490 8.668 1.00 0.00 C ATOM 1102 CG PRO A 73 15.724 -0.389 8.057 1.00 0.00 C ATOM 1103 CD PRO A 73 15.706 -0.662 6.579 1.00 0.00 C ATOM 0 HA PRO A 73 17.073 -3.399 7.702 1.00 0.00 H new ATOM 0 HB2 PRO A 73 16.224 -1.666 9.702 1.00 0.00 H new ATOM 0 HB3 PRO A 73 17.584 -1.252 8.677 1.00 0.00 H new ATOM 0 HG2 PRO A 73 14.712 -0.368 8.462 1.00 0.00 H new ATOM 0 HG3 PRO A 73 16.173 0.581 8.269 1.00 0.00 H new ATOM 0 HD2 PRO A 73 14.773 -0.334 6.121 1.00 0.00 H new ATOM 0 HD3 PRO A 73 16.514 -0.141 6.065 1.00 0.00 H new ATOM 1111 N VAL A 74 15.207 -3.829 9.684 1.00 0.00 N ATOM 1112 CA VAL A 74 14.193 -4.615 10.377 1.00 0.00 C ATOM 1113 C VAL A 74 13.378 -3.745 11.327 1.00 0.00 C ATOM 1114 O VAL A 74 12.379 -4.191 11.892 1.00 0.00 O ATOM 1115 CB VAL A 74 14.827 -5.771 11.174 1.00 0.00 C ATOM 1116 CG1 VAL A 74 15.671 -5.232 12.318 1.00 0.00 C ATOM 1117 CG2 VAL A 74 13.750 -6.713 11.692 1.00 0.00 C ATOM 0 H VAL A 74 15.983 -3.528 10.273 1.00 0.00 H new ATOM 0 HA VAL A 74 13.535 -5.028 9.612 1.00 0.00 H new ATOM 0 HB VAL A 74 15.480 -6.334 10.507 1.00 0.00 H new ATOM 0 HG11 VAL A 74 16.110 -6.063 12.869 1.00 0.00 H new ATOM 0 HG12 VAL A 74 16.465 -4.601 11.918 1.00 0.00 H new ATOM 0 HG13 VAL A 74 15.043 -4.644 12.988 1.00 0.00 H new ATOM 0 HG21 VAL A 74 14.215 -7.524 12.253 1.00 0.00 H new ATOM 0 HG22 VAL A 74 13.070 -6.165 12.344 1.00 0.00 H new ATOM 0 HG23 VAL A 74 13.193 -7.126 10.851 1.00 0.00 H new ATOM 1127 N ALA A 75 13.810 -2.500 11.499 1.00 0.00 N ATOM 1128 CA ALA A 75 13.119 -1.566 12.379 1.00 0.00 C ATOM 1129 C ALA A 75 12.482 -0.432 11.584 1.00 0.00 C ATOM 1130 O ALA A 75 11.440 0.101 11.968 1.00 0.00 O ATOM 1131 CB ALA A 75 14.082 -1.009 13.418 1.00 0.00 C ATOM 0 H ALA A 75 14.636 -2.115 11.040 1.00 0.00 H new ATOM 0 HA ALA A 75 12.323 -2.108 12.890 1.00 0.00 H new ATOM 0 HB1 ALA A 75 13.553 -0.313 14.069 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.487 -1.827 14.014 1.00 0.00 H new ATOM 0 HB3 ALA A 75 14.897 -0.488 12.916 1.00 0.00 H new ATOM 1137 N HIS A 76 13.115 -0.065 10.473 1.00 0.00 N ATOM 1138 CA HIS A 76 12.609 1.007 9.623 1.00 0.00 C ATOM 1139 C HIS A 76 12.560 0.565 8.164 1.00 0.00 C ATOM 1140 O HIS A 76 13.018 1.267 7.262 1.00 0.00 O ATOM 1141 CB HIS A 76 13.484 2.252 9.763 1.00 0.00 C ATOM 1142 CG HIS A 76 13.804 2.604 11.183 1.00 0.00 C ATOM 1143 ND1 HIS A 76 12.839 2.930 12.113 1.00 0.00 N ATOM 1144 CD2 HIS A 76 14.990 2.679 11.831 1.00 0.00 C ATOM 1145 CE1 HIS A 76 13.418 3.191 13.271 1.00 0.00 C ATOM 1146 NE2 HIS A 76 14.723 3.045 13.127 1.00 0.00 N ATOM 0 H HIS A 76 13.979 -0.494 10.141 1.00 0.00 H new ATOM 0 HA HIS A 76 11.596 1.247 9.945 1.00 0.00 H new ATOM 0 HB2 HIS A 76 14.415 2.095 9.218 1.00 0.00 H new ATOM 0 HB3 HIS A 76 12.978 3.096 9.293 1.00 0.00 H new ATOM 0 HD2 HIS A 76 15.965 2.487 11.407 1.00 0.00 H new ATOM 0 HE1 HIS A 76 12.911 3.475 14.181 1.00 0.00 H new ATOM 0 HE2 HIS A 76 15.419 3.182 13.860 1.00 0.00 H new ATOM 1154 N PRO A 77 11.992 -0.626 7.924 1.00 0.00 N ATOM 1155 CA PRO A 77 11.870 -1.187 6.575 1.00 0.00 C ATOM 1156 C PRO A 77 10.864 -0.425 5.719 1.00 0.00 C ATOM 1157 O PRO A 77 9.922 0.175 6.236 1.00 0.00 O ATOM 1158 CB PRO A 77 11.382 -2.616 6.828 1.00 0.00 C ATOM 1159 CG PRO A 77 10.689 -2.551 8.145 1.00 0.00 C ATOM 1160 CD PRO A 77 11.424 -1.516 8.950 1.00 0.00 C ATOM 0 HA PRO A 77 12.810 -1.133 6.025 1.00 0.00 H new ATOM 0 HB2 PRO A 77 10.706 -2.949 6.041 1.00 0.00 H new ATOM 0 HB3 PRO A 77 12.214 -3.320 6.852 1.00 0.00 H new ATOM 0 HG2 PRO A 77 9.641 -2.277 8.021 1.00 0.00 H new ATOM 0 HG3 PRO A 77 10.709 -3.520 8.644 1.00 0.00 H new ATOM 0 HD2 PRO A 77 10.754 -0.979 9.622 1.00 0.00 H new ATOM 0 HD3 PRO A 77 12.202 -1.965 9.568 1.00 0.00 H new ATOM 1168 N PHE A 78 11.070 -0.453 4.406 1.00 0.00 N ATOM 1169 CA PHE A 78 10.182 0.236 3.478 1.00 0.00 C ATOM 1170 C PHE A 78 9.360 -0.763 2.669 1.00 0.00 C ATOM 1171 O PHE A 78 9.892 -1.743 2.146 1.00 0.00 O ATOM 1172 CB PHE A 78 10.989 1.131 2.535 1.00 0.00 C ATOM 1173 CG PHE A 78 12.154 1.806 3.200 1.00 0.00 C ATOM 1174 CD1 PHE A 78 13.280 1.080 3.558 1.00 0.00 C ATOM 1175 CD2 PHE A 78 12.124 3.164 3.469 1.00 0.00 C ATOM 1176 CE1 PHE A 78 14.354 1.698 4.170 1.00 0.00 C ATOM 1177 CE2 PHE A 78 13.196 3.788 4.080 1.00 0.00 C ATOM 1178 CZ PHE A 78 14.311 3.053 4.433 1.00 0.00 C ATOM 0 H PHE A 78 11.844 -0.946 3.961 1.00 0.00 H new ATOM 0 HA PHE A 78 9.499 0.855 4.060 1.00 0.00 H new ATOM 0 HB2 PHE A 78 11.354 0.531 1.702 1.00 0.00 H new ATOM 0 HB3 PHE A 78 10.330 1.891 2.116 1.00 0.00 H new ATOM 0 HD1 PHE A 78 13.318 0.020 3.356 1.00 0.00 H new ATOM 0 HD2 PHE A 78 11.253 3.743 3.198 1.00 0.00 H new ATOM 0 HE1 PHE A 78 15.226 1.122 4.442 1.00 0.00 H new ATOM 0 HE2 PHE A 78 13.162 4.849 4.281 1.00 0.00 H new ATOM 0 HZ PHE A 78 15.148 3.537 4.914 1.00 0.00 H new ATOM 1188 N TYR A 79 8.060 -0.508 2.571 1.00 0.00 N ATOM 1189 CA TYR A 79 7.163 -1.386 1.829 1.00 0.00 C ATOM 1190 C TYR A 79 6.874 -0.823 0.440 1.00 0.00 C ATOM 1191 O TYR A 79 6.828 0.392 0.248 1.00 0.00 O ATOM 1192 CB TYR A 79 5.853 -1.578 2.595 1.00 0.00 C ATOM 1193 CG TYR A 79 6.050 -1.986 4.038 1.00 0.00 C ATOM 1194 CD1 TYR A 79 6.506 -1.075 4.982 1.00 0.00 C ATOM 1195 CD2 TYR A 79 5.779 -3.283 4.456 1.00 0.00 C ATOM 1196 CE1 TYR A 79 6.689 -1.444 6.301 1.00 0.00 C ATOM 1197 CE2 TYR A 79 5.956 -3.660 5.774 1.00 0.00 C ATOM 1198 CZ TYR A 79 6.412 -2.737 6.692 1.00 0.00 C ATOM 1199 OH TYR A 79 6.591 -3.108 8.005 1.00 0.00 O ATOM 0 H TYR A 79 7.604 0.299 2.996 1.00 0.00 H new ATOM 0 HA TYR A 79 7.655 -2.352 1.715 1.00 0.00 H new ATOM 0 HB2 TYR A 79 5.284 -0.649 2.563 1.00 0.00 H new ATOM 0 HB3 TYR A 79 5.254 -2.336 2.090 1.00 0.00 H new ATOM 0 HD1 TYR A 79 6.721 -0.061 4.680 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.424 -4.009 3.739 1.00 0.00 H new ATOM 0 HE1 TYR A 79 7.047 -0.724 7.022 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.738 -4.672 6.083 1.00 0.00 H new ATOM 0 HH TYR A 79 6.350 -4.052 8.114 1.00 0.00 H new ATOM 1209 N VAL A 80 6.681 -1.716 -0.525 1.00 0.00 N ATOM 1210 CA VAL A 80 6.395 -1.310 -1.896 1.00 0.00 C ATOM 1211 C VAL A 80 4.959 -1.647 -2.281 1.00 0.00 C ATOM 1212 O VAL A 80 4.394 -2.634 -1.809 1.00 0.00 O ATOM 1213 CB VAL A 80 7.355 -1.986 -2.893 1.00 0.00 C ATOM 1214 CG1 VAL A 80 7.181 -1.397 -4.285 1.00 0.00 C ATOM 1215 CG2 VAL A 80 8.795 -1.848 -2.423 1.00 0.00 C ATOM 0 H VAL A 80 6.717 -2.725 -0.383 1.00 0.00 H new ATOM 0 HA VAL A 80 6.536 -0.230 -1.942 1.00 0.00 H new ATOM 0 HB VAL A 80 7.113 -3.048 -2.941 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.867 -1.887 -4.976 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.156 -1.553 -4.621 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.395 -0.329 -4.257 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.459 -2.331 -3.139 1.00 0.00 H new ATOM 0 HG22 VAL A 80 9.053 -0.792 -2.345 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.906 -2.322 -1.448 1.00 0.00 H new ATOM 1225 N LEU A 81 4.375 -0.822 -3.142 1.00 0.00 N ATOM 1226 CA LEU A 81 3.003 -1.033 -3.593 1.00 0.00 C ATOM 1227 C LEU A 81 2.960 -1.319 -5.090 1.00 0.00 C ATOM 1228 O LEU A 81 3.776 -0.805 -5.855 1.00 0.00 O ATOM 1229 CB LEU A 81 2.146 0.193 -3.271 1.00 0.00 C ATOM 1230 CG LEU A 81 1.593 0.271 -1.848 1.00 0.00 C ATOM 1231 CD1 LEU A 81 0.522 1.345 -1.749 1.00 0.00 C ATOM 1232 CD2 LEU A 81 1.038 -1.079 -1.417 1.00 0.00 C ATOM 0 H LEU A 81 4.829 -0.001 -3.542 1.00 0.00 H new ATOM 0 HA LEU A 81 2.602 -1.898 -3.065 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.742 1.087 -3.457 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.307 0.218 -3.967 1.00 0.00 H new ATOM 0 HG LEU A 81 2.409 0.538 -1.176 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.140 1.385 -0.729 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.950 2.311 -2.015 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.294 1.109 -2.432 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.649 -1.005 -0.402 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.236 -1.375 -2.093 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.832 -1.825 -1.448 1.00 0.00 H new ATOM 1244 N ARG A 82 2.000 -2.141 -5.503 1.00 0.00 N ATOM 1245 CA ARG A 82 1.850 -2.495 -6.909 1.00 0.00 C ATOM 1246 C ARG A 82 0.949 -1.495 -7.628 1.00 0.00 C ATOM 1247 O ARG A 82 -0.001 -0.970 -7.047 1.00 0.00 O ATOM 1248 CB ARG A 82 1.273 -3.906 -7.043 1.00 0.00 C ATOM 1249 CG ARG A 82 0.960 -4.302 -8.477 1.00 0.00 C ATOM 1250 CD ARG A 82 2.194 -4.833 -9.189 1.00 0.00 C ATOM 1251 NE ARG A 82 2.025 -4.845 -10.640 1.00 0.00 N ATOM 1252 CZ ARG A 82 2.861 -5.455 -11.472 1.00 0.00 C ATOM 1253 NH1 ARG A 82 3.919 -6.101 -11.000 1.00 0.00 N ATOM 1254 NH2 ARG A 82 2.641 -5.421 -12.780 1.00 0.00 N ATOM 0 H ARG A 82 1.315 -2.574 -4.884 1.00 0.00 H new ATOM 0 HA ARG A 82 2.836 -2.468 -7.372 1.00 0.00 H new ATOM 0 HB2 ARG A 82 1.982 -4.621 -6.624 1.00 0.00 H new ATOM 0 HB3 ARG A 82 0.362 -3.975 -6.449 1.00 0.00 H new ATOM 0 HG2 ARG A 82 0.179 -5.062 -8.484 1.00 0.00 H new ATOM 0 HG3 ARG A 82 0.570 -3.439 -9.017 1.00 0.00 H new ATOM 0 HD2 ARG A 82 3.055 -4.218 -8.929 1.00 0.00 H new ATOM 0 HD3 ARG A 82 2.407 -5.843 -8.840 1.00 0.00 H new ATOM 0 HE ARG A 82 1.221 -4.358 -11.036 1.00 0.00 H new ATOM 0 HH11 ARG A 82 4.092 -6.130 -9.995 1.00 0.00 H new ATOM 0 HH12 ARG A 82 4.559 -6.569 -11.642 1.00 0.00 H new ATOM 0 HH21 ARG A 82 1.829 -4.926 -13.148 1.00 0.00 H new ATOM 0 HH22 ARG A 82 3.284 -5.890 -13.418 1.00 0.00 H new ATOM 1268 N PHE A 83 1.254 -1.236 -8.895 1.00 0.00 N ATOM 1269 CA PHE A 83 0.473 -0.298 -9.693 1.00 0.00 C ATOM 1270 C PHE A 83 0.814 -0.429 -11.175 1.00 0.00 C ATOM 1271 O PHE A 83 1.984 -0.490 -11.550 1.00 0.00 O ATOM 1272 CB PHE A 83 0.727 1.137 -9.225 1.00 0.00 C ATOM 1273 CG PHE A 83 0.037 1.476 -7.935 1.00 0.00 C ATOM 1274 CD1 PHE A 83 -1.336 1.652 -7.893 1.00 0.00 C ATOM 1275 CD2 PHE A 83 0.763 1.621 -6.763 1.00 0.00 C ATOM 1276 CE1 PHE A 83 -1.974 1.964 -6.707 1.00 0.00 C ATOM 1277 CE2 PHE A 83 0.131 1.933 -5.574 1.00 0.00 C ATOM 1278 CZ PHE A 83 -1.239 2.106 -5.546 1.00 0.00 C ATOM 0 H PHE A 83 2.036 -1.662 -9.391 1.00 0.00 H new ATOM 0 HA PHE A 83 -0.582 -0.536 -9.558 1.00 0.00 H new ATOM 0 HB2 PHE A 83 1.800 1.287 -9.105 1.00 0.00 H new ATOM 0 HB3 PHE A 83 0.393 1.828 -9.999 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.915 1.544 -8.798 1.00 0.00 H new ATOM 0 HD2 PHE A 83 1.835 1.489 -6.779 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -3.046 2.097 -6.688 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.708 2.041 -4.668 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.735 2.352 -4.618 1.00 0.00 H new ATOM 1288 N ASN A 84 -0.217 -0.473 -12.011 1.00 0.00 N ATOM 1289 CA ASN A 84 -0.028 -0.598 -13.452 1.00 0.00 C ATOM 1290 C ASN A 84 1.079 0.332 -13.938 1.00 0.00 C ATOM 1291 O ASN A 84 2.065 -0.113 -14.524 1.00 0.00 O ATOM 1292 CB ASN A 84 -1.333 -0.285 -14.188 1.00 0.00 C ATOM 1293 CG ASN A 84 -2.477 -1.174 -13.739 1.00 0.00 C ATOM 1294 OD1 ASN A 84 -3.561 -0.691 -13.411 1.00 0.00 O ATOM 1295 ND2 ASN A 84 -2.240 -2.480 -13.723 1.00 0.00 N ATOM 0 H ASN A 84 -1.192 -0.424 -11.716 1.00 0.00 H new ATOM 0 HA ASN A 84 0.265 -1.626 -13.667 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -1.600 0.758 -14.021 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -1.181 -0.407 -15.260 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -2.972 -3.128 -13.430 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -1.326 -2.836 -14.003 1.00 0.00 H new ATOM 1302 N SER A 85 0.907 1.627 -13.690 1.00 0.00 N ATOM 1303 CA SER A 85 1.890 2.621 -14.105 1.00 0.00 C ATOM 1304 C SER A 85 1.849 3.841 -13.189 1.00 0.00 C ATOM 1305 O SER A 85 1.110 3.867 -12.205 1.00 0.00 O ATOM 1306 CB SER A 85 1.635 3.048 -15.552 1.00 0.00 C ATOM 1307 OG SER A 85 2.829 3.499 -16.169 1.00 0.00 O ATOM 0 H SER A 85 0.097 2.012 -13.204 1.00 0.00 H new ATOM 0 HA SER A 85 2.879 2.169 -14.036 1.00 0.00 H new ATOM 0 HB2 SER A 85 1.225 2.209 -16.115 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.888 3.842 -15.574 1.00 0.00 H new ATOM 0 HG SER A 85 2.640 3.764 -17.093 1.00 0.00 H new ATOM 1313 N SER A 86 2.649 4.849 -13.521 1.00 0.00 N ATOM 1314 CA SER A 86 2.708 6.071 -12.726 1.00 0.00 C ATOM 1315 C SER A 86 1.315 6.660 -12.532 1.00 0.00 C ATOM 1316 O SER A 86 0.923 7.000 -11.415 1.00 0.00 O ATOM 1317 CB SER A 86 3.620 7.098 -13.400 1.00 0.00 C ATOM 1318 OG SER A 86 3.497 7.042 -14.811 1.00 0.00 O ATOM 0 H SER A 86 3.265 4.844 -14.334 1.00 0.00 H new ATOM 0 HA SER A 86 3.116 5.820 -11.747 1.00 0.00 H new ATOM 0 HB2 SER A 86 3.367 8.099 -13.049 1.00 0.00 H new ATOM 0 HB3 SER A 86 4.655 6.912 -13.115 1.00 0.00 H new ATOM 0 HG SER A 86 4.089 7.709 -15.218 1.00 0.00 H new ATOM 1324 N ASP A 87 0.572 6.779 -13.626 1.00 0.00 N ATOM 1325 CA ASP A 87 -0.779 7.327 -13.578 1.00 0.00 C ATOM 1326 C ASP A 87 -1.588 6.679 -12.458 1.00 0.00 C ATOM 1327 O ASP A 87 -2.124 7.366 -11.588 1.00 0.00 O ATOM 1328 CB ASP A 87 -1.485 7.120 -14.919 1.00 0.00 C ATOM 1329 CG ASP A 87 -0.723 7.737 -16.075 1.00 0.00 C ATOM 1330 OD1 ASP A 87 -0.403 8.943 -16.000 1.00 0.00 O ATOM 1331 OD2 ASP A 87 -0.446 7.015 -17.055 1.00 0.00 O ATOM 0 H ASP A 87 0.882 6.503 -14.558 1.00 0.00 H new ATOM 0 HA ASP A 87 -0.704 8.396 -13.377 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.611 6.052 -15.099 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.483 7.555 -14.872 1.00 0.00 H new ATOM 1336 N HIS A 88 -1.674 5.353 -12.488 1.00 0.00 N ATOM 1337 CA HIS A 88 -2.418 4.612 -11.475 1.00 0.00 C ATOM 1338 C HIS A 88 -2.259 5.259 -10.103 1.00 0.00 C ATOM 1339 O HIS A 88 -3.219 5.356 -9.337 1.00 0.00 O ATOM 1340 CB HIS A 88 -1.945 3.159 -11.425 1.00 0.00 C ATOM 1341 CG HIS A 88 -3.015 2.195 -11.016 1.00 0.00 C ATOM 1342 ND1 HIS A 88 -3.130 0.928 -11.549 1.00 0.00 N ATOM 1343 CD2 HIS A 88 -4.021 2.317 -10.119 1.00 0.00 C ATOM 1344 CE1 HIS A 88 -4.161 0.313 -10.998 1.00 0.00 C ATOM 1345 NE2 HIS A 88 -4.719 1.134 -10.127 1.00 0.00 N ATOM 0 H HIS A 88 -1.238 4.770 -13.202 1.00 0.00 H new ATOM 0 HA HIS A 88 -3.473 4.633 -11.747 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -1.567 2.875 -12.407 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -1.111 3.081 -10.728 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -4.235 3.183 -9.510 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -4.491 -0.691 -11.222 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -5.536 0.924 -9.553 1.00 0.00 H new ATOM 1353 N ILE A 89 -1.043 5.699 -9.798 1.00 0.00 N ATOM 1354 CA ILE A 89 -0.759 6.336 -8.518 1.00 0.00 C ATOM 1355 C ILE A 89 -1.492 7.668 -8.393 1.00 0.00 C ATOM 1356 O ILE A 89 -2.341 7.840 -7.520 1.00 0.00 O ATOM 1357 CB ILE A 89 0.751 6.574 -8.330 1.00 0.00 C ATOM 1358 CG1 ILE A 89 1.483 5.239 -8.175 1.00 0.00 C ATOM 1359 CG2 ILE A 89 1.000 7.464 -7.122 1.00 0.00 C ATOM 1360 CD1 ILE A 89 1.792 4.563 -9.492 1.00 0.00 C ATOM 0 H ILE A 89 -0.238 5.626 -10.420 1.00 0.00 H new ATOM 0 HA ILE A 89 -1.110 5.656 -7.742 1.00 0.00 H new ATOM 0 HB ILE A 89 1.138 7.079 -9.215 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.414 5.405 -7.634 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.876 4.569 -7.566 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.072 7.623 -7.002 1.00 0.00 H new ATOM 0 HG22 ILE A 89 0.505 8.424 -7.269 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.602 6.984 -6.228 1.00 0.00 H new ATOM 0 HD11 ILE A 89 2.311 3.623 -9.305 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.863 4.365 -10.026 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.425 5.214 -10.095 1.00 0.00 H new ATOM 1372 N GLU A 90 -1.157 8.606 -9.274 1.00 0.00 N ATOM 1373 CA GLU A 90 -1.784 9.922 -9.262 1.00 0.00 C ATOM 1374 C GLU A 90 -3.275 9.812 -8.953 1.00 0.00 C ATOM 1375 O GLU A 90 -3.780 10.464 -8.039 1.00 0.00 O ATOM 1376 CB GLU A 90 -1.582 10.620 -10.608 1.00 0.00 C ATOM 1377 CG GLU A 90 -0.124 10.890 -10.941 1.00 0.00 C ATOM 1378 CD GLU A 90 0.044 11.950 -12.012 1.00 0.00 C ATOM 1379 OE1 GLU A 90 -0.132 11.621 -13.204 1.00 0.00 O ATOM 1380 OE2 GLU A 90 0.351 13.108 -11.659 1.00 0.00 O ATOM 0 H GLU A 90 -0.456 8.479 -10.004 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.311 10.514 -8.479 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -2.018 10.005 -11.396 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.126 11.565 -10.603 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.398 11.206 -10.038 1.00 0.00 H new ATOM 0 HG3 GLU A 90 0.346 9.965 -11.274 1.00 0.00 H new ATOM 1387 N SER A 91 -3.973 8.983 -9.722 1.00 0.00 N ATOM 1388 CA SER A 91 -5.406 8.790 -9.534 1.00 0.00 C ATOM 1389 C SER A 91 -5.721 8.436 -8.084 1.00 0.00 C ATOM 1390 O SER A 91 -6.614 9.020 -7.470 1.00 0.00 O ATOM 1391 CB SER A 91 -5.920 7.688 -10.463 1.00 0.00 C ATOM 1392 OG SER A 91 -6.390 8.230 -11.685 1.00 0.00 O ATOM 0 H SER A 91 -3.570 8.434 -10.481 1.00 0.00 H new ATOM 0 HA SER A 91 -5.909 9.726 -9.779 1.00 0.00 H new ATOM 0 HB2 SER A 91 -5.121 6.973 -10.662 1.00 0.00 H new ATOM 0 HB3 SER A 91 -6.724 7.139 -9.972 1.00 0.00 H new ATOM 0 HG SER A 91 -6.711 7.506 -12.262 1.00 0.00 H new ATOM 1398 N LYS A 92 -4.981 7.475 -7.542 1.00 0.00 N ATOM 1399 CA LYS A 92 -5.178 7.042 -6.164 1.00 0.00 C ATOM 1400 C LYS A 92 -4.893 8.181 -5.190 1.00 0.00 C ATOM 1401 O LYS A 92 -5.496 8.261 -4.120 1.00 0.00 O ATOM 1402 CB LYS A 92 -4.273 5.849 -5.848 1.00 0.00 C ATOM 1403 CG LYS A 92 -4.494 4.659 -6.765 1.00 0.00 C ATOM 1404 CD LYS A 92 -5.650 3.796 -6.290 1.00 0.00 C ATOM 1405 CE LYS A 92 -5.464 2.342 -6.695 1.00 0.00 C ATOM 1406 NZ LYS A 92 -6.767 1.642 -6.868 1.00 0.00 N ATOM 0 H LYS A 92 -4.239 6.981 -8.037 1.00 0.00 H new ATOM 0 HA LYS A 92 -6.219 6.741 -6.050 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -3.232 6.164 -5.920 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -4.442 5.539 -4.817 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.693 5.011 -7.777 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.585 4.059 -6.809 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -5.735 3.865 -5.205 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -6.583 4.174 -6.707 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -4.900 2.294 -7.626 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.873 1.827 -5.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -6.596 0.654 -7.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -7.295 1.665 -5.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -7.321 2.118 -7.609 1.00 0.00 H new ATOM 1420 N GLY A 93 -3.973 9.063 -5.569 1.00 0.00 N ATOM 1421 CA GLY A 93 -3.626 10.186 -4.718 1.00 0.00 C ATOM 1422 C GLY A 93 -2.362 9.940 -3.919 1.00 0.00 C ATOM 1423 O GLY A 93 -1.932 10.796 -3.145 1.00 0.00 O ATOM 0 H GLY A 93 -3.462 9.020 -6.451 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.496 11.077 -5.333 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.451 10.388 -4.034 1.00 0.00 H new ATOM 1427 N ILE A 94 -1.765 8.767 -4.105 1.00 0.00 N ATOM 1428 CA ILE A 94 -0.543 8.411 -3.394 1.00 0.00 C ATOM 1429 C ILE A 94 0.645 9.217 -3.908 1.00 0.00 C ATOM 1430 O ILE A 94 0.799 9.418 -5.113 1.00 0.00 O ATOM 1431 CB ILE A 94 -0.229 6.910 -3.531 1.00 0.00 C ATOM 1432 CG1 ILE A 94 -1.473 6.076 -3.217 1.00 0.00 C ATOM 1433 CG2 ILE A 94 0.921 6.523 -2.613 1.00 0.00 C ATOM 1434 CD1 ILE A 94 -1.526 4.764 -3.968 1.00 0.00 C ATOM 0 H ILE A 94 -2.108 8.048 -4.742 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.710 8.644 -2.342 1.00 0.00 H new ATOM 0 HB ILE A 94 0.070 6.709 -4.560 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.504 5.874 -2.146 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.362 6.659 -3.458 1.00 0.00 H new ATOM 0 HG21 ILE A 94 1.131 5.459 -2.721 1.00 0.00 H new ATOM 0 HG22 ILE A 94 1.808 7.097 -2.880 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.649 6.736 -1.579 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.434 4.226 -3.696 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.526 4.958 -5.041 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.656 4.161 -3.709 1.00 0.00 H new ATOM 1446 N LYS A 95 1.486 9.674 -2.987 1.00 0.00 N ATOM 1447 CA LYS A 95 2.664 10.455 -3.345 1.00 0.00 C ATOM 1448 C LYS A 95 3.561 10.675 -2.131 1.00 0.00 C ATOM 1449 O LYS A 95 3.234 10.253 -1.021 1.00 0.00 O ATOM 1450 CB LYS A 95 2.246 11.805 -3.934 1.00 0.00 C ATOM 1451 CG LYS A 95 1.091 12.459 -3.197 1.00 0.00 C ATOM 1452 CD LYS A 95 1.556 13.129 -1.914 1.00 0.00 C ATOM 1453 CE LYS A 95 0.663 14.304 -1.544 1.00 0.00 C ATOM 1454 NZ LYS A 95 0.616 15.327 -2.626 1.00 0.00 N ATOM 0 H LYS A 95 1.374 9.517 -1.985 1.00 0.00 H new ATOM 0 HA LYS A 95 3.226 9.896 -4.093 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.103 12.479 -3.920 1.00 0.00 H new ATOM 0 HB3 LYS A 95 1.967 11.665 -4.978 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.617 13.198 -3.843 1.00 0.00 H new ATOM 0 HG3 LYS A 95 0.336 11.709 -2.964 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.557 12.402 -1.102 1.00 0.00 H new ATOM 0 HD3 LYS A 95 2.583 13.475 -2.034 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.345 13.944 -1.341 1.00 0.00 H new ATOM 0 HE3 LYS A 95 1.029 14.763 -0.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.497 16.271 -2.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 1.502 15.299 -3.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -0.185 15.126 -3.259 1.00 0.00 H new ATOM 1468 N ILE A 96 4.692 11.337 -2.349 1.00 0.00 N ATOM 1469 CA ILE A 96 5.634 11.614 -1.272 1.00 0.00 C ATOM 1470 C ILE A 96 4.969 12.403 -0.149 1.00 0.00 C ATOM 1471 O ILE A 96 4.128 13.267 -0.396 1.00 0.00 O ATOM 1472 CB ILE A 96 6.857 12.400 -1.781 1.00 0.00 C ATOM 1473 CG1 ILE A 96 7.528 11.650 -2.934 1.00 0.00 C ATOM 1474 CG2 ILE A 96 7.845 12.635 -0.649 1.00 0.00 C ATOM 1475 CD1 ILE A 96 8.302 10.428 -2.491 1.00 0.00 C ATOM 0 H ILE A 96 4.978 11.691 -3.262 1.00 0.00 H new ATOM 0 HA ILE A 96 5.966 10.649 -0.888 1.00 0.00 H new ATOM 0 HB ILE A 96 6.520 13.369 -2.149 1.00 0.00 H new ATOM 0 HG12 ILE A 96 6.766 11.347 -3.652 1.00 0.00 H new ATOM 0 HG13 ILE A 96 8.204 12.329 -3.454 1.00 0.00 H new ATOM 0 HG21 ILE A 96 8.703 13.192 -1.025 1.00 0.00 H new ATOM 0 HG22 ILE A 96 7.361 13.206 0.144 1.00 0.00 H new ATOM 0 HG23 ILE A 96 8.179 11.676 -0.253 1.00 0.00 H new ATOM 0 HD11 ILE A 96 8.750 9.947 -3.360 1.00 0.00 H new ATOM 0 HD12 ILE A 96 9.087 10.727 -1.796 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.627 9.729 -1.997 1.00 0.00 H new ATOM 1487 N LYS A 97 5.353 12.101 1.087 1.00 0.00 N ATOM 1488 CA LYS A 97 4.798 12.783 2.250 1.00 0.00 C ATOM 1489 C LYS A 97 3.331 12.413 2.448 1.00 0.00 C ATOM 1490 O LYS A 97 2.519 13.249 2.842 1.00 0.00 O ATOM 1491 CB LYS A 97 4.934 14.299 2.091 1.00 0.00 C ATOM 1492 CG LYS A 97 6.337 14.748 1.718 1.00 0.00 C ATOM 1493 CD LYS A 97 7.254 14.776 2.929 1.00 0.00 C ATOM 1494 CE LYS A 97 8.718 14.729 2.520 1.00 0.00 C ATOM 1495 NZ LYS A 97 9.146 13.353 2.144 1.00 0.00 N ATOM 0 H LYS A 97 6.047 11.387 1.309 1.00 0.00 H new ATOM 0 HA LYS A 97 5.358 12.464 3.129 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.237 14.640 1.325 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.643 14.781 3.024 1.00 0.00 H new ATOM 0 HG2 LYS A 97 6.747 14.075 0.965 1.00 0.00 H new ATOM 0 HG3 LYS A 97 6.295 15.740 1.269 1.00 0.00 H new ATOM 0 HD2 LYS A 97 7.066 15.680 3.509 1.00 0.00 H new ATOM 0 HD3 LYS A 97 7.029 13.929 3.577 1.00 0.00 H new ATOM 0 HE2 LYS A 97 8.882 15.403 1.679 1.00 0.00 H new ATOM 0 HE3 LYS A 97 9.336 15.090 3.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 9.794 12.981 2.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 8.311 12.736 2.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 9.632 13.380 1.225 1.00 0.00 H new ATOM 1509 N GLU A 98 3.001 11.154 2.176 1.00 0.00 N ATOM 1510 CA GLU A 98 1.633 10.674 2.326 1.00 0.00 C ATOM 1511 C GLU A 98 1.571 9.501 3.301 1.00 0.00 C ATOM 1512 O GLU A 98 2.001 8.392 2.984 1.00 0.00 O ATOM 1513 CB GLU A 98 1.064 10.254 0.969 1.00 0.00 C ATOM 1514 CG GLU A 98 -0.453 10.316 0.899 1.00 0.00 C ATOM 1515 CD GLU A 98 -0.993 11.706 1.173 1.00 0.00 C ATOM 1516 OE1 GLU A 98 -0.584 12.651 0.467 1.00 0.00 O ATOM 1517 OE2 GLU A 98 -1.826 11.848 2.093 1.00 0.00 O ATOM 0 H GLU A 98 3.662 10.449 1.851 1.00 0.00 H new ATOM 0 HA GLU A 98 1.032 11.490 2.727 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.482 10.897 0.195 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.388 9.237 0.748 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -0.781 9.991 -0.088 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -0.875 9.617 1.621 1.00 0.00 H new ATOM 1524 N THR A 99 1.033 9.755 4.490 1.00 0.00 N ATOM 1525 CA THR A 99 0.917 8.723 5.512 1.00 0.00 C ATOM 1526 C THR A 99 -0.147 7.697 5.138 1.00 0.00 C ATOM 1527 O THR A 99 -1.276 8.053 4.802 1.00 0.00 O ATOM 1528 CB THR A 99 0.569 9.328 6.885 1.00 0.00 C ATOM 1529 OG1 THR A 99 1.398 10.467 7.142 1.00 0.00 O ATOM 1530 CG2 THR A 99 0.753 8.301 7.992 1.00 0.00 C ATOM 0 H THR A 99 0.671 10.667 4.768 1.00 0.00 H new ATOM 0 HA THR A 99 1.887 8.231 5.576 1.00 0.00 H new ATOM 0 HB THR A 99 -0.476 9.636 6.867 1.00 0.00 H new ATOM 0 HG1 THR A 99 1.170 10.847 8.016 1.00 0.00 H new ATOM 0 HG21 THR A 99 0.501 8.752 8.952 1.00 0.00 H new ATOM 0 HG22 THR A 99 0.100 7.448 7.809 1.00 0.00 H new ATOM 0 HG23 THR A 99 1.790 7.966 8.009 1.00 0.00 H new ATOM 1538 N MET A 100 0.221 6.421 5.199 1.00 0.00 N ATOM 1539 CA MET A 100 -0.703 5.343 4.868 1.00 0.00 C ATOM 1540 C MET A 100 -1.072 4.542 6.113 1.00 0.00 C ATOM 1541 O MET A 100 -0.486 4.729 7.179 1.00 0.00 O ATOM 1542 CB MET A 100 -0.087 4.419 3.816 1.00 0.00 C ATOM 1543 CG MET A 100 0.426 5.152 2.588 1.00 0.00 C ATOM 1544 SD MET A 100 0.337 4.149 1.092 1.00 0.00 S ATOM 1545 CE MET A 100 -1.205 4.728 0.388 1.00 0.00 C ATOM 0 H MET A 100 1.152 6.109 5.474 1.00 0.00 H new ATOM 0 HA MET A 100 -1.611 5.788 4.462 1.00 0.00 H new ATOM 0 HB2 MET A 100 0.736 3.865 4.268 1.00 0.00 H new ATOM 0 HB3 MET A 100 -0.833 3.687 3.507 1.00 0.00 H new ATOM 0 HG2 MET A 100 -0.155 6.063 2.445 1.00 0.00 H new ATOM 0 HG3 MET A 100 1.459 5.456 2.756 1.00 0.00 H new ATOM 0 HE1 MET A 100 -1.391 4.213 -0.554 1.00 0.00 H new ATOM 0 HE2 MET A 100 -2.021 4.523 1.081 1.00 0.00 H new ATOM 0 HE3 MET A 100 -1.143 5.801 0.208 1.00 0.00 H new ATOM 1555 N TYR A 101 -2.046 3.650 5.970 1.00 0.00 N ATOM 1556 CA TYR A 101 -2.494 2.823 7.084 1.00 0.00 C ATOM 1557 C TYR A 101 -2.941 1.448 6.596 1.00 0.00 C ATOM 1558 O TYR A 101 -3.070 1.215 5.394 1.00 0.00 O ATOM 1559 CB TYR A 101 -3.641 3.510 7.828 1.00 0.00 C ATOM 1560 CG TYR A 101 -3.402 4.981 8.082 1.00 0.00 C ATOM 1561 CD1 TYR A 101 -3.396 5.895 7.035 1.00 0.00 C ATOM 1562 CD2 TYR A 101 -3.182 5.457 9.369 1.00 0.00 C ATOM 1563 CE1 TYR A 101 -3.178 7.240 7.263 1.00 0.00 C ATOM 1564 CE2 TYR A 101 -2.965 6.800 9.606 1.00 0.00 C ATOM 1565 CZ TYR A 101 -2.963 7.688 8.550 1.00 0.00 C ATOM 1566 OH TYR A 101 -2.746 9.026 8.781 1.00 0.00 O ATOM 0 H TYR A 101 -2.540 3.481 5.094 1.00 0.00 H new ATOM 0 HA TYR A 101 -1.654 2.691 7.766 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -4.558 3.394 7.251 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -3.798 3.006 8.782 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -3.565 5.548 6.026 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -3.181 4.765 10.198 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -3.176 7.937 6.438 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -2.798 7.153 10.613 1.00 0.00 H new ATOM 0 HH TYR A 101 -2.613 9.175 9.740 1.00 0.00 H new ATOM 1576 N PHE A 102 -3.177 0.541 7.538 1.00 0.00 N ATOM 1577 CA PHE A 102 -3.609 -0.812 7.206 1.00 0.00 C ATOM 1578 C PHE A 102 -4.714 -1.276 8.149 1.00 0.00 C ATOM 1579 O PHE A 102 -5.043 -0.596 9.120 1.00 0.00 O ATOM 1580 CB PHE A 102 -2.425 -1.779 7.273 1.00 0.00 C ATOM 1581 CG PHE A 102 -1.597 -1.627 8.518 1.00 0.00 C ATOM 1582 CD1 PHE A 102 -2.177 -1.746 9.770 1.00 0.00 C ATOM 1583 CD2 PHE A 102 -0.239 -1.367 8.434 1.00 0.00 C ATOM 1584 CE1 PHE A 102 -1.418 -1.606 10.916 1.00 0.00 C ATOM 1585 CE2 PHE A 102 0.526 -1.226 9.577 1.00 0.00 C ATOM 1586 CZ PHE A 102 -0.065 -1.347 10.820 1.00 0.00 C ATOM 0 H PHE A 102 -3.076 0.718 8.537 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.003 -0.802 6.190 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -2.798 -2.802 7.217 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -1.789 -1.623 6.402 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -3.234 -1.951 9.851 1.00 0.00 H new ATOM 0 HD2 PHE A 102 0.228 -1.273 7.464 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -1.883 -1.699 11.886 1.00 0.00 H new ATOM 0 HE2 PHE A 102 1.584 -1.022 9.498 1.00 0.00 H new ATOM 0 HZ PHE A 102 0.530 -1.239 11.715 1.00 0.00 H new ATOM 1596 N ALA A 103 -5.285 -2.440 7.855 1.00 0.00 N ATOM 1597 CA ALA A 103 -6.352 -2.997 8.677 1.00 0.00 C ATOM 1598 C ALA A 103 -5.953 -4.353 9.250 1.00 0.00 C ATOM 1599 O ALA A 103 -6.666 -4.921 10.078 1.00 0.00 O ATOM 1600 CB ALA A 103 -7.633 -3.122 7.865 1.00 0.00 C ATOM 0 H ALA A 103 -5.026 -3.015 7.053 1.00 0.00 H new ATOM 0 HA ALA A 103 -6.527 -2.317 9.511 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.421 -3.539 8.491 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.936 -2.137 7.509 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.461 -3.779 7.013 1.00 0.00 H new