USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 582 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 28 SER OG : rot -142:sc= 0.292 USER MOD Set 1.2: A 47 TYR OH : rot 150:sc= 0.275 USER MOD Set 2.1: A 35 LYS NZ :NH3+ -114:sc= 0.0992 (180deg=-0.18) USER MOD Set 2.2: A 38 THR OG1 : rot -90:sc= -1.74 USER MOD Set 3.1: A 19 ASN : amide:sc= 0 X(o=-0.22,f=-0.28) USER MOD Set 3.2: A 31 GLN : amide:sc= -0.22 K(o=-0.22,f=-2.4!) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 HIS : no HD1:sc= -0.226 X(o=-0.23,f=-0.65) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.167 X(o=-0.17,f=-0.22) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 172:sc= -0.169 (180deg=-0.34) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -4.14 K(o=-4.1,f=-4.6) USER MOD Single : A 54 SER OG : rot 31:sc= 0.713 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 65 GLN : amide:sc= -0.0159 K(o=-0.016,f=-0.76) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 70 THR OG1 : rot -54:sc= 0.735 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 MET CE :methyl 162:sc= -0.659 (180deg=-1.42) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 216 N ASN A 15 0.382 17.567 -9.093 1.00 0.00 N ATOM 217 CA ASN A 15 -0.714 17.934 -8.204 1.00 0.00 C ATOM 218 C ASN A 15 -0.346 17.667 -6.748 1.00 0.00 C ATOM 219 O ASN A 15 -0.324 18.582 -5.925 1.00 0.00 O ATOM 220 CB ASN A 15 -1.980 17.158 -8.573 1.00 0.00 C ATOM 221 CG ASN A 15 -3.246 17.919 -8.232 1.00 0.00 C ATOM 222 OD1 ASN A 15 -3.821 18.602 -9.080 1.00 0.00 O ATOM 223 ND2 ASN A 15 -3.685 17.806 -6.984 1.00 0.00 N ATOM 0 HA ASN A 15 -0.903 19.001 -8.322 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -1.969 16.937 -9.640 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -1.982 16.202 -8.049 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.531 18.297 -6.695 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -3.176 17.229 -6.315 1.00 0.00 H new ATOM 230 N ASP A 16 -0.058 16.407 -6.438 1.00 0.00 N ATOM 231 CA ASP A 16 0.310 16.019 -5.082 1.00 0.00 C ATOM 232 C ASP A 16 1.115 14.723 -5.087 1.00 0.00 C ATOM 233 O ASP A 16 1.223 14.051 -6.114 1.00 0.00 O ATOM 234 CB ASP A 16 -0.941 15.854 -4.218 1.00 0.00 C ATOM 235 CG ASP A 16 -1.312 17.128 -3.486 1.00 0.00 C ATOM 236 OD1 ASP A 16 -0.391 17.847 -3.043 1.00 0.00 O ATOM 237 OD2 ASP A 16 -2.522 17.407 -3.355 1.00 0.00 O ATOM 0 H ASP A 16 -0.072 15.638 -7.108 1.00 0.00 H new ATOM 0 HA ASP A 16 0.931 16.810 -4.660 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.775 15.544 -4.847 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.776 15.057 -3.493 1.00 0.00 H new ATOM 242 N HIS A 17 1.678 14.377 -3.934 1.00 0.00 N ATOM 243 CA HIS A 17 2.473 13.161 -3.806 1.00 0.00 C ATOM 244 C HIS A 17 2.604 12.748 -2.343 1.00 0.00 C ATOM 245 O HIS A 17 2.952 13.563 -1.488 1.00 0.00 O ATOM 246 CB HIS A 17 3.860 13.367 -4.416 1.00 0.00 C ATOM 247 CG HIS A 17 4.730 14.296 -3.626 1.00 0.00 C ATOM 248 ND1 HIS A 17 4.371 15.593 -3.330 1.00 0.00 N ATOM 249 CD2 HIS A 17 5.949 14.108 -3.069 1.00 0.00 C ATOM 250 CE1 HIS A 17 5.332 16.164 -2.626 1.00 0.00 C ATOM 251 NE2 HIS A 17 6.301 15.284 -2.453 1.00 0.00 N ATOM 0 H HIS A 17 1.599 14.921 -3.075 1.00 0.00 H new ATOM 0 HA HIS A 17 1.961 12.364 -4.345 1.00 0.00 H new ATOM 0 HB2 HIS A 17 4.358 12.401 -4.501 1.00 0.00 H new ATOM 0 HB3 HIS A 17 3.749 13.758 -5.427 1.00 0.00 H new ATOM 0 HD2 HIS A 17 6.536 13.202 -3.103 1.00 0.00 H new ATOM 0 HE1 HIS A 17 5.326 17.178 -2.255 1.00 0.00 H new ATOM 0 HE2 HIS A 17 7.170 15.450 -1.945 1.00 0.00 H new ATOM 259 N ILE A 18 2.323 11.480 -2.064 1.00 0.00 N ATOM 260 CA ILE A 18 2.410 10.961 -0.704 1.00 0.00 C ATOM 261 C ILE A 18 3.218 9.669 -0.660 1.00 0.00 C ATOM 262 O ILE A 18 3.741 9.217 -1.678 1.00 0.00 O ATOM 263 CB ILE A 18 1.013 10.699 -0.111 1.00 0.00 C ATOM 264 CG1 ILE A 18 0.426 9.407 -0.683 1.00 0.00 C ATOM 265 CG2 ILE A 18 0.090 11.876 -0.392 1.00 0.00 C ATOM 266 CD1 ILE A 18 -0.972 9.108 -0.189 1.00 0.00 C ATOM 0 H ILE A 18 2.033 10.793 -2.760 1.00 0.00 H new ATOM 0 HA ILE A 18 2.912 11.722 -0.107 1.00 0.00 H new ATOM 0 HB ILE A 18 1.108 10.586 0.969 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.412 9.474 -1.771 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.080 8.574 -0.424 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.894 11.677 0.033 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.504 12.778 0.058 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.002 12.017 -1.469 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.325 8.178 -0.635 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.961 9.008 0.896 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.640 9.922 -0.471 1.00 0.00 H new ATOM 278 N ASN A 19 3.316 9.078 0.527 1.00 0.00 N ATOM 279 CA ASN A 19 4.060 7.837 0.704 1.00 0.00 C ATOM 280 C ASN A 19 3.250 6.828 1.514 1.00 0.00 C ATOM 281 O ASN A 19 2.693 7.161 2.561 1.00 0.00 O ATOM 282 CB ASN A 19 5.394 8.112 1.399 1.00 0.00 C ATOM 283 CG ASN A 19 6.503 7.204 0.903 1.00 0.00 C ATOM 284 OD1 ASN A 19 7.385 7.632 0.158 1.00 0.00 O ATOM 285 ND2 ASN A 19 6.463 5.942 1.315 1.00 0.00 N ATOM 0 H ASN A 19 2.889 9.439 1.380 1.00 0.00 H new ATOM 0 HA ASN A 19 4.252 7.414 -0.282 1.00 0.00 H new ATOM 0 HB2 ASN A 19 5.679 9.151 1.235 1.00 0.00 H new ATOM 0 HB3 ASN A 19 5.274 7.980 2.474 1.00 0.00 H new ATOM 0 HD21 ASN A 19 7.182 5.284 1.014 1.00 0.00 H new ATOM 0 HD22 ASN A 19 5.713 5.631 1.932 1.00 0.00 H new ATOM 292 N LEU A 20 3.190 5.595 1.023 1.00 0.00 N ATOM 293 CA LEU A 20 2.450 4.537 1.701 1.00 0.00 C ATOM 294 C LEU A 20 3.294 3.272 1.821 1.00 0.00 C ATOM 295 O LEU A 20 4.177 3.022 1.000 1.00 0.00 O ATOM 296 CB LEU A 20 1.155 4.230 0.947 1.00 0.00 C ATOM 297 CG LEU A 20 0.417 5.435 0.361 1.00 0.00 C ATOM 298 CD1 LEU A 20 -0.868 4.994 -0.320 1.00 0.00 C ATOM 299 CD2 LEU A 20 0.123 6.460 1.447 1.00 0.00 C ATOM 0 H LEU A 20 3.645 5.304 0.158 1.00 0.00 H new ATOM 0 HA LEU A 20 2.206 4.885 2.705 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.386 3.541 0.135 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.478 3.709 1.625 1.00 0.00 H new ATOM 0 HG LEU A 20 1.058 5.901 -0.387 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.379 5.865 -0.731 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.633 4.298 -1.125 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.515 4.503 0.407 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.402 7.310 1.012 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.499 6.005 2.218 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.059 6.800 1.890 1.00 0.00 H new ATOM 311 N LYS A 21 3.016 2.476 2.847 1.00 0.00 N ATOM 312 CA LYS A 21 3.746 1.235 3.074 1.00 0.00 C ATOM 313 C LYS A 21 2.797 0.111 3.476 1.00 0.00 C ATOM 314 O LYS A 21 2.190 0.150 4.547 1.00 0.00 O ATOM 315 CB LYS A 21 4.807 1.434 4.158 1.00 0.00 C ATOM 316 CG LYS A 21 5.910 2.399 3.760 1.00 0.00 C ATOM 317 CD LYS A 21 6.981 2.496 4.834 1.00 0.00 C ATOM 318 CE LYS A 21 7.665 1.156 5.062 1.00 0.00 C ATOM 319 NZ LYS A 21 8.829 1.277 5.983 1.00 0.00 N ATOM 0 H LYS A 21 2.289 2.669 3.536 1.00 0.00 H new ATOM 0 HA LYS A 21 4.237 0.956 2.142 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.324 1.801 5.064 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.251 0.469 4.402 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.361 2.071 2.824 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.484 3.386 3.580 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.723 3.240 4.543 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.533 2.840 5.766 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.947 0.447 5.475 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.998 0.751 4.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.268 0.343 6.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.526 1.934 5.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.507 1.639 6.903 1.00 0.00 H new ATOM 333 N VAL A 22 2.674 -0.892 2.612 1.00 0.00 N ATOM 334 CA VAL A 22 1.800 -2.028 2.879 1.00 0.00 C ATOM 335 C VAL A 22 2.541 -3.125 3.636 1.00 0.00 C ATOM 336 O VAL A 22 3.093 -4.045 3.033 1.00 0.00 O ATOM 337 CB VAL A 22 1.229 -2.616 1.575 1.00 0.00 C ATOM 338 CG1 VAL A 22 0.171 -3.665 1.880 1.00 0.00 C ATOM 339 CG2 VAL A 22 0.660 -1.511 0.698 1.00 0.00 C ATOM 0 H VAL A 22 3.169 -0.941 1.721 1.00 0.00 H new ATOM 0 HA VAL A 22 0.978 -1.658 3.492 1.00 0.00 H new ATOM 0 HB VAL A 22 2.039 -3.101 1.030 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.221 -4.069 0.946 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.615 -4.470 2.466 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.641 -3.209 2.447 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.261 -1.944 -0.219 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.138 -0.996 1.233 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.449 -0.800 0.451 1.00 0.00 H new ATOM 349 N ALA A 23 2.550 -3.020 4.961 1.00 0.00 N ATOM 350 CA ALA A 23 3.221 -4.004 5.801 1.00 0.00 C ATOM 351 C ALA A 23 2.287 -5.160 6.146 1.00 0.00 C ATOM 352 O ALA A 23 1.471 -5.059 7.061 1.00 0.00 O ATOM 353 CB ALA A 23 3.742 -3.347 7.070 1.00 0.00 C ATOM 0 H ALA A 23 2.100 -2.263 5.476 1.00 0.00 H new ATOM 0 HA ALA A 23 4.065 -4.408 5.241 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.241 -4.094 7.688 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.450 -2.561 6.808 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.909 -2.915 7.625 1.00 0.00 H new ATOM 359 N GLY A 24 2.413 -6.257 5.405 1.00 0.00 N ATOM 360 CA GLY A 24 1.573 -7.415 5.648 1.00 0.00 C ATOM 361 C GLY A 24 1.874 -8.082 6.976 1.00 0.00 C ATOM 362 O GLY A 24 3.031 -8.365 7.286 1.00 0.00 O ATOM 0 H GLY A 24 3.081 -6.364 4.642 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.526 -7.112 5.626 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.712 -8.136 4.843 1.00 0.00 H new ATOM 366 N GLN A 25 0.831 -8.331 7.761 1.00 0.00 N ATOM 367 CA GLN A 25 0.991 -8.966 9.064 1.00 0.00 C ATOM 368 C GLN A 25 1.671 -10.325 8.927 1.00 0.00 C ATOM 369 O GLN A 25 2.352 -10.784 9.844 1.00 0.00 O ATOM 370 CB GLN A 25 -0.368 -9.129 9.746 1.00 0.00 C ATOM 371 CG GLN A 25 -0.277 -9.288 11.255 1.00 0.00 C ATOM 372 CD GLN A 25 -1.634 -9.255 11.929 1.00 0.00 C ATOM 373 OE1 GLN A 25 -2.260 -8.200 12.038 1.00 0.00 O ATOM 374 NE2 GLN A 25 -2.097 -10.412 12.385 1.00 0.00 N ATOM 0 H GLN A 25 -0.133 -8.103 7.518 1.00 0.00 H new ATOM 0 HA GLN A 25 1.623 -8.324 9.678 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.986 -8.261 9.517 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -0.873 -9.999 9.327 1.00 0.00 H new ATOM 0 HG2 GLN A 25 0.217 -10.231 11.488 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.346 -8.493 11.663 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.545 -11.262 12.273 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.005 -10.451 12.847 1.00 0.00 H new ATOM 383 N ASP A 26 1.479 -10.964 7.778 1.00 0.00 N ATOM 384 CA ASP A 26 2.074 -12.270 7.521 1.00 0.00 C ATOM 385 C ASP A 26 3.538 -12.130 7.115 1.00 0.00 C ATOM 386 O ASP A 26 4.440 -12.486 7.872 1.00 0.00 O ATOM 387 CB ASP A 26 1.296 -13.002 6.427 1.00 0.00 C ATOM 388 CG ASP A 26 1.772 -14.428 6.233 1.00 0.00 C ATOM 389 OD1 ASP A 26 2.021 -15.114 7.247 1.00 0.00 O ATOM 390 OD2 ASP A 26 1.895 -14.859 5.068 1.00 0.00 O ATOM 0 H ASP A 26 0.916 -10.599 7.010 1.00 0.00 H new ATOM 0 HA ASP A 26 2.025 -12.852 8.442 1.00 0.00 H new ATOM 0 HB2 ASP A 26 0.236 -13.007 6.681 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.396 -12.458 5.488 1.00 0.00 H new ATOM 395 N GLY A 27 3.766 -11.610 5.913 1.00 0.00 N ATOM 396 CA GLY A 27 5.122 -11.434 5.426 1.00 0.00 C ATOM 397 C GLY A 27 5.188 -10.535 4.207 1.00 0.00 C ATOM 398 O GLY A 27 5.788 -10.894 3.194 1.00 0.00 O ATOM 0 H GLY A 27 3.036 -11.307 5.268 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.738 -11.011 6.220 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.545 -12.408 5.179 1.00 0.00 H new ATOM 402 N SER A 28 4.567 -9.363 4.303 1.00 0.00 N ATOM 403 CA SER A 28 4.553 -8.413 3.197 1.00 0.00 C ATOM 404 C SER A 28 5.113 -7.063 3.634 1.00 0.00 C ATOM 405 O SER A 28 5.149 -6.748 4.824 1.00 0.00 O ATOM 406 CB SER A 28 3.130 -8.239 2.664 1.00 0.00 C ATOM 407 OG SER A 28 3.135 -7.969 1.273 1.00 0.00 O ATOM 0 H SER A 28 4.067 -9.049 5.135 1.00 0.00 H new ATOM 0 HA SER A 28 5.185 -8.809 2.402 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.552 -9.142 2.860 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.637 -7.424 3.194 1.00 0.00 H new ATOM 0 HG SER A 28 2.438 -7.312 1.065 1.00 0.00 H new ATOM 413 N VAL A 29 5.549 -6.267 2.663 1.00 0.00 N ATOM 414 CA VAL A 29 6.107 -4.950 2.945 1.00 0.00 C ATOM 415 C VAL A 29 6.533 -4.247 1.662 1.00 0.00 C ATOM 416 O VAL A 29 7.656 -4.422 1.188 1.00 0.00 O ATOM 417 CB VAL A 29 7.318 -5.045 3.892 1.00 0.00 C ATOM 418 CG1 VAL A 29 8.300 -6.096 3.399 1.00 0.00 C ATOM 419 CG2 VAL A 29 7.996 -3.690 4.026 1.00 0.00 C ATOM 0 H VAL A 29 5.526 -6.512 1.673 1.00 0.00 H new ATOM 0 HA VAL A 29 5.321 -4.370 3.429 1.00 0.00 H new ATOM 0 HB VAL A 29 6.964 -5.348 4.878 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.149 -6.149 4.081 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.805 -7.066 3.360 1.00 0.00 H new ATOM 0 HG13 VAL A 29 8.651 -5.827 2.403 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.850 -3.775 4.699 1.00 0.00 H new ATOM 0 HG22 VAL A 29 8.338 -3.356 3.046 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.287 -2.967 4.429 1.00 0.00 H new ATOM 429 N VAL A 30 5.629 -3.450 1.102 1.00 0.00 N ATOM 430 CA VAL A 30 5.911 -2.717 -0.127 1.00 0.00 C ATOM 431 C VAL A 30 5.585 -1.236 0.028 1.00 0.00 C ATOM 432 O VAL A 30 4.598 -0.872 0.667 1.00 0.00 O ATOM 433 CB VAL A 30 5.112 -3.286 -1.315 1.00 0.00 C ATOM 434 CG1 VAL A 30 5.578 -2.660 -2.621 1.00 0.00 C ATOM 435 CG2 VAL A 30 5.238 -4.801 -1.366 1.00 0.00 C ATOM 0 H VAL A 30 4.694 -3.295 1.480 1.00 0.00 H new ATOM 0 HA VAL A 30 6.976 -2.832 -0.326 1.00 0.00 H new ATOM 0 HB VAL A 30 4.060 -3.037 -1.175 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.002 -3.074 -3.449 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.430 -1.581 -2.580 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.636 -2.876 -2.771 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.667 -5.185 -2.211 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.287 -5.075 -1.481 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.851 -5.230 -0.442 1.00 0.00 H new ATOM 445 N GLN A 31 6.422 -0.387 -0.560 1.00 0.00 N ATOM 446 CA GLN A 31 6.222 1.055 -0.486 1.00 0.00 C ATOM 447 C GLN A 31 5.568 1.580 -1.760 1.00 0.00 C ATOM 448 O GLN A 31 5.730 1.005 -2.836 1.00 0.00 O ATOM 449 CB GLN A 31 7.558 1.765 -0.255 1.00 0.00 C ATOM 450 CG GLN A 31 8.377 1.166 0.876 1.00 0.00 C ATOM 451 CD GLN A 31 9.199 2.204 1.615 1.00 0.00 C ATOM 452 OE1 GLN A 31 8.902 3.398 1.565 1.00 0.00 O ATOM 453 NE2 GLN A 31 10.238 1.753 2.308 1.00 0.00 N ATOM 0 H GLN A 31 7.244 -0.673 -1.092 1.00 0.00 H new ATOM 0 HA GLN A 31 5.558 1.262 0.353 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.143 1.729 -1.174 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.369 2.816 -0.038 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.709 0.669 1.579 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.041 0.402 0.473 1.00 0.00 H new ATOM 0 HE21 GLN A 31 10.447 0.755 2.322 1.00 0.00 H new ATOM 0 HE22 GLN A 31 10.827 2.405 2.827 1.00 0.00 H new ATOM 462 N PHE A 32 4.827 2.676 -1.630 1.00 0.00 N ATOM 463 CA PHE A 32 4.146 3.278 -2.770 1.00 0.00 C ATOM 464 C PHE A 32 4.137 4.799 -2.658 1.00 0.00 C ATOM 465 O PHE A 32 4.206 5.353 -1.560 1.00 0.00 O ATOM 466 CB PHE A 32 2.712 2.754 -2.870 1.00 0.00 C ATOM 467 CG PHE A 32 2.573 1.550 -3.757 1.00 0.00 C ATOM 468 CD1 PHE A 32 2.910 0.289 -3.294 1.00 0.00 C ATOM 469 CD2 PHE A 32 2.106 1.680 -5.055 1.00 0.00 C ATOM 470 CE1 PHE A 32 2.784 -0.821 -4.108 1.00 0.00 C ATOM 471 CE2 PHE A 32 1.976 0.574 -5.873 1.00 0.00 C ATOM 472 CZ PHE A 32 2.317 -0.678 -5.400 1.00 0.00 C ATOM 0 H PHE A 32 4.683 3.165 -0.746 1.00 0.00 H new ATOM 0 HA PHE A 32 4.690 3.001 -3.673 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.355 2.502 -1.871 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.069 3.549 -3.247 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.276 0.172 -2.285 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.841 2.657 -5.432 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.050 -1.799 -3.734 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.608 0.689 -6.882 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.219 -1.543 -6.039 1.00 0.00 H new ATOM 482 N LYS A 33 4.053 5.471 -3.801 1.00 0.00 N ATOM 483 CA LYS A 33 4.034 6.928 -3.833 1.00 0.00 C ATOM 484 C LYS A 33 3.139 7.437 -4.959 1.00 0.00 C ATOM 485 O LYS A 33 3.348 7.107 -6.127 1.00 0.00 O ATOM 486 CB LYS A 33 5.454 7.473 -4.011 1.00 0.00 C ATOM 487 CG LYS A 33 6.484 6.785 -3.132 1.00 0.00 C ATOM 488 CD LYS A 33 7.874 7.358 -3.349 1.00 0.00 C ATOM 489 CE LYS A 33 8.362 7.113 -4.769 1.00 0.00 C ATOM 490 NZ LYS A 33 9.736 7.645 -4.982 1.00 0.00 N ATOM 0 H LYS A 33 3.997 5.029 -4.718 1.00 0.00 H new ATOM 0 HA LYS A 33 3.631 7.282 -2.884 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.748 7.363 -5.055 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.455 8.540 -3.790 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.203 6.897 -2.085 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.492 5.717 -3.348 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.863 8.429 -3.147 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.569 6.907 -2.641 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.350 6.043 -4.978 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.677 7.583 -5.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 10.033 7.459 -5.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.742 8.670 -4.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.395 7.178 -4.326 1.00 0.00 H new ATOM 504 N ILE A 34 2.144 8.240 -4.600 1.00 0.00 N ATOM 505 CA ILE A 34 1.219 8.795 -5.580 1.00 0.00 C ATOM 506 C ILE A 34 0.497 10.018 -5.025 1.00 0.00 C ATOM 507 O ILE A 34 0.602 10.329 -3.838 1.00 0.00 O ATOM 508 CB ILE A 34 0.175 7.753 -6.023 1.00 0.00 C ATOM 509 CG1 ILE A 34 -0.217 7.981 -7.484 1.00 0.00 C ATOM 510 CG2 ILE A 34 -1.050 7.816 -5.123 1.00 0.00 C ATOM 511 CD1 ILE A 34 -0.782 6.749 -8.157 1.00 0.00 C ATOM 0 H ILE A 34 1.957 8.521 -3.637 1.00 0.00 H new ATOM 0 HA ILE A 34 1.815 9.090 -6.444 1.00 0.00 H new ATOM 0 HB ILE A 34 0.615 6.759 -5.936 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.954 8.782 -7.533 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.659 8.319 -8.038 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.779 7.074 -5.448 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.756 7.609 -4.094 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.493 8.810 -5.181 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.038 6.984 -9.190 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.039 5.952 -8.140 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.677 6.423 -7.627 1.00 0.00 H new ATOM 523 N LYS A 35 -0.240 10.707 -5.890 1.00 0.00 N ATOM 524 CA LYS A 35 -0.983 11.894 -5.486 1.00 0.00 C ATOM 525 C LYS A 35 -1.917 11.582 -4.321 1.00 0.00 C ATOM 526 O LYS A 35 -2.013 10.436 -3.880 1.00 0.00 O ATOM 527 CB LYS A 35 -1.789 12.442 -6.666 1.00 0.00 C ATOM 528 CG LYS A 35 -2.737 11.426 -7.279 1.00 0.00 C ATOM 529 CD LYS A 35 -3.594 12.048 -8.369 1.00 0.00 C ATOM 530 CE LYS A 35 -3.549 11.228 -9.650 1.00 0.00 C ATOM 531 NZ LYS A 35 -4.654 10.232 -9.709 1.00 0.00 N ATOM 0 H LYS A 35 -0.338 10.463 -6.876 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.266 12.648 -5.162 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.363 13.307 -6.333 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.100 12.793 -7.434 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.164 10.597 -7.694 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.379 11.012 -6.502 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.624 12.127 -8.022 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.247 13.061 -8.572 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.614 11.894 -10.510 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.591 10.712 -9.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.258 9.271 -9.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.293 10.374 -8.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.185 10.354 -10.595 1.00 0.00 H new ATOM 545 N ARG A 36 -2.603 12.607 -3.827 1.00 0.00 N ATOM 546 CA ARG A 36 -3.529 12.441 -2.713 1.00 0.00 C ATOM 547 C ARG A 36 -4.927 12.093 -3.216 1.00 0.00 C ATOM 548 O ARG A 36 -5.820 11.775 -2.429 1.00 0.00 O ATOM 549 CB ARG A 36 -3.581 13.717 -1.871 1.00 0.00 C ATOM 550 CG ARG A 36 -2.608 13.716 -0.704 1.00 0.00 C ATOM 551 CD ARG A 36 -2.798 14.938 0.181 1.00 0.00 C ATOM 552 NE ARG A 36 -2.057 16.094 -0.316 1.00 0.00 N ATOM 553 CZ ARG A 36 -2.326 17.347 0.036 1.00 0.00 C ATOM 554 NH1 ARG A 36 -3.313 17.603 0.884 1.00 0.00 N ATOM 555 NH2 ARG A 36 -1.607 18.346 -0.459 1.00 0.00 N ATOM 0 H ARG A 36 -2.535 13.561 -4.180 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.170 11.620 -2.093 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.367 14.573 -2.511 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.593 13.849 -1.489 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.749 12.811 -0.112 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.586 13.694 -1.081 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.858 15.184 0.237 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.471 14.706 1.195 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.291 15.931 -0.969 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.867 16.837 1.267 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.518 18.565 1.153 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.846 18.153 -1.111 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.815 19.307 -0.188 1.00 0.00 H new ATOM 569 N HIS A 37 -5.111 12.157 -4.531 1.00 0.00 N ATOM 570 CA HIS A 37 -6.400 11.849 -5.139 1.00 0.00 C ATOM 571 C HIS A 37 -6.280 10.672 -6.102 1.00 0.00 C ATOM 572 O HIS A 37 -6.727 10.744 -7.247 1.00 0.00 O ATOM 573 CB HIS A 37 -6.946 13.072 -5.876 1.00 0.00 C ATOM 574 CG HIS A 37 -8.375 12.928 -6.299 1.00 0.00 C ATOM 575 ND1 HIS A 37 -9.397 12.645 -5.417 1.00 0.00 N ATOM 576 CD2 HIS A 37 -8.952 13.030 -7.520 1.00 0.00 C ATOM 577 CE1 HIS A 37 -10.540 12.578 -6.077 1.00 0.00 C ATOM 578 NE2 HIS A 37 -10.297 12.809 -7.355 1.00 0.00 N ATOM 0 H HIS A 37 -4.383 12.419 -5.196 1.00 0.00 H new ATOM 0 HA HIS A 37 -7.092 11.575 -4.343 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -6.853 13.946 -5.231 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -6.332 13.259 -6.757 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -8.448 13.245 -8.451 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -11.508 12.370 -5.645 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -10.995 12.821 -8.098 1.00 0.00 H new ATOM 586 N THR A 38 -5.670 9.588 -5.632 1.00 0.00 N ATOM 587 CA THR A 38 -5.489 8.397 -6.451 1.00 0.00 C ATOM 588 C THR A 38 -6.451 7.290 -6.035 1.00 0.00 C ATOM 589 O THR A 38 -6.619 6.994 -4.852 1.00 0.00 O ATOM 590 CB THR A 38 -4.045 7.867 -6.361 1.00 0.00 C ATOM 591 OG1 THR A 38 -3.203 8.581 -7.273 1.00 0.00 O ATOM 592 CG2 THR A 38 -3.994 6.379 -6.674 1.00 0.00 C ATOM 0 H THR A 38 -5.293 9.511 -4.687 1.00 0.00 H new ATOM 0 HA THR A 38 -5.699 8.688 -7.480 1.00 0.00 H new ATOM 0 HB THR A 38 -3.688 8.020 -5.342 1.00 0.00 H new ATOM 0 HG1 THR A 38 -3.196 8.123 -8.139 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.965 6.028 -6.604 1.00 0.00 H new ATOM 0 HG22 THR A 38 -4.612 5.836 -5.960 1.00 0.00 H new ATOM 0 HG23 THR A 38 -4.369 6.206 -7.683 1.00 0.00 H new ATOM 600 N PRO A 39 -7.099 6.663 -7.028 1.00 0.00 N ATOM 601 CA PRO A 39 -8.055 5.578 -6.788 1.00 0.00 C ATOM 602 C PRO A 39 -7.376 4.305 -6.295 1.00 0.00 C ATOM 603 O PRO A 39 -6.573 3.702 -7.009 1.00 0.00 O ATOM 604 CB PRO A 39 -8.685 5.350 -8.164 1.00 0.00 C ATOM 605 CG PRO A 39 -7.658 5.823 -9.134 1.00 0.00 C ATOM 606 CD PRO A 39 -6.947 6.965 -8.461 1.00 0.00 C ATOM 0 HA PRO A 39 -8.776 5.834 -6.011 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.923 4.298 -8.321 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.616 5.907 -8.270 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -6.961 5.023 -9.385 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.121 6.147 -10.066 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -5.898 7.013 -8.753 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.394 7.925 -8.719 1.00 0.00 H new ATOM 614 N LEU A 40 -7.702 3.901 -5.073 1.00 0.00 N ATOM 615 CA LEU A 40 -7.124 2.698 -4.485 1.00 0.00 C ATOM 616 C LEU A 40 -7.271 1.506 -5.426 1.00 0.00 C ATOM 617 O LEU A 40 -6.508 0.543 -5.348 1.00 0.00 O ATOM 618 CB LEU A 40 -7.793 2.389 -3.144 1.00 0.00 C ATOM 619 CG LEU A 40 -7.665 3.466 -2.066 1.00 0.00 C ATOM 620 CD1 LEU A 40 -8.925 4.315 -2.007 1.00 0.00 C ATOM 621 CD2 LEU A 40 -7.382 2.833 -0.711 1.00 0.00 C ATOM 0 H LEU A 40 -8.364 4.389 -4.469 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.062 2.879 -4.321 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.853 2.206 -3.323 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.371 1.462 -2.755 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.827 4.114 -2.324 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.815 5.076 -1.234 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.084 4.798 -2.971 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.780 3.681 -1.773 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.294 3.614 0.044 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.199 2.162 -0.445 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.450 2.269 -0.760 1.00 0.00 H new ATOM 633 N SER A 41 -8.255 1.580 -6.316 1.00 0.00 N ATOM 634 CA SER A 41 -8.503 0.507 -7.272 1.00 0.00 C ATOM 635 C SER A 41 -7.211 0.090 -7.968 1.00 0.00 C ATOM 636 O SER A 41 -6.809 -1.072 -7.912 1.00 0.00 O ATOM 637 CB SER A 41 -9.535 0.950 -8.311 1.00 0.00 C ATOM 638 OG SER A 41 -10.841 0.960 -7.761 1.00 0.00 O ATOM 0 H SER A 41 -8.894 2.371 -6.395 1.00 0.00 H new ATOM 0 HA SER A 41 -8.894 -0.351 -6.725 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.283 1.946 -8.676 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.503 0.278 -9.169 1.00 0.00 H new ATOM 0 HG SER A 41 -11.482 1.248 -8.444 1.00 0.00 H new ATOM 644 N LYS A 42 -6.564 1.047 -8.624 1.00 0.00 N ATOM 645 CA LYS A 42 -5.316 0.782 -9.331 1.00 0.00 C ATOM 646 C LYS A 42 -4.309 0.093 -8.416 1.00 0.00 C ATOM 647 O LYS A 42 -3.435 -0.641 -8.880 1.00 0.00 O ATOM 648 CB LYS A 42 -4.724 2.087 -9.868 1.00 0.00 C ATOM 649 CG LYS A 42 -4.397 3.099 -8.783 1.00 0.00 C ATOM 650 CD LYS A 42 -2.944 3.538 -8.850 1.00 0.00 C ATOM 651 CE LYS A 42 -2.651 4.304 -10.131 1.00 0.00 C ATOM 652 NZ LYS A 42 -3.314 5.638 -10.144 1.00 0.00 N ATOM 0 H LYS A 42 -6.883 2.014 -8.681 1.00 0.00 H new ATOM 0 HA LYS A 42 -5.534 0.118 -10.167 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.816 1.861 -10.428 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.428 2.534 -10.570 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.046 3.968 -8.888 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.602 2.664 -7.805 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.712 4.165 -7.989 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.296 2.664 -8.791 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.574 4.433 -10.239 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.990 3.722 -10.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.983 6.182 -10.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.345 5.513 -10.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.077 6.152 -9.271 1.00 0.00 H new ATOM 666 N LEU A 43 -4.437 0.331 -7.116 1.00 0.00 N ATOM 667 CA LEU A 43 -3.538 -0.269 -6.136 1.00 0.00 C ATOM 668 C LEU A 43 -3.838 -1.754 -5.959 1.00 0.00 C ATOM 669 O LEU A 43 -3.039 -2.608 -6.341 1.00 0.00 O ATOM 670 CB LEU A 43 -3.664 0.452 -4.792 1.00 0.00 C ATOM 671 CG LEU A 43 -2.447 0.368 -3.870 1.00 0.00 C ATOM 672 CD1 LEU A 43 -1.222 0.962 -4.546 1.00 0.00 C ATOM 673 CD2 LEU A 43 -2.727 1.075 -2.552 1.00 0.00 C ATOM 0 H LEU A 43 -5.155 0.935 -6.715 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.517 -0.165 -6.504 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.877 1.503 -4.985 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.525 0.044 -4.263 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.246 -0.683 -3.661 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.366 0.893 -3.874 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.009 0.411 -5.462 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.411 2.008 -4.787 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.850 1.005 -1.908 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.955 2.124 -2.743 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.577 0.603 -2.059 1.00 0.00 H new ATOM 685 N MET A 44 -4.996 -2.054 -5.381 1.00 0.00 N ATOM 686 CA MET A 44 -5.403 -3.436 -5.157 1.00 0.00 C ATOM 687 C MET A 44 -5.394 -4.224 -6.463 1.00 0.00 C ATOM 688 O MET A 44 -5.061 -5.409 -6.484 1.00 0.00 O ATOM 689 CB MET A 44 -6.797 -3.485 -4.528 1.00 0.00 C ATOM 690 CG MET A 44 -7.906 -3.059 -5.476 1.00 0.00 C ATOM 691 SD MET A 44 -8.678 -4.456 -6.315 1.00 0.00 S ATOM 692 CE MET A 44 -9.933 -4.916 -5.122 1.00 0.00 C ATOM 0 H MET A 44 -5.669 -1.359 -5.059 1.00 0.00 H new ATOM 0 HA MET A 44 -4.688 -3.892 -4.473 1.00 0.00 H new ATOM 0 HB2 MET A 44 -6.995 -4.500 -4.182 1.00 0.00 H new ATOM 0 HB3 MET A 44 -6.813 -2.840 -3.649 1.00 0.00 H new ATOM 0 HG2 MET A 44 -8.665 -2.511 -4.918 1.00 0.00 H new ATOM 0 HG3 MET A 44 -7.500 -2.373 -6.219 1.00 0.00 H new ATOM 0 HE1 MET A 44 -10.497 -5.769 -5.498 1.00 0.00 H new ATOM 0 HE2 MET A 44 -9.457 -5.183 -4.178 1.00 0.00 H new ATOM 0 HE3 MET A 44 -10.609 -4.076 -4.963 1.00 0.00 H new ATOM 702 N LYS A 45 -5.762 -3.558 -7.553 1.00 0.00 N ATOM 703 CA LYS A 45 -5.796 -4.194 -8.864 1.00 0.00 C ATOM 704 C LYS A 45 -4.472 -4.890 -9.165 1.00 0.00 C ATOM 705 O LYS A 45 -4.424 -6.108 -9.335 1.00 0.00 O ATOM 706 CB LYS A 45 -6.098 -3.158 -9.949 1.00 0.00 C ATOM 707 CG LYS A 45 -6.372 -3.768 -11.313 1.00 0.00 C ATOM 708 CD LYS A 45 -6.419 -2.706 -12.399 1.00 0.00 C ATOM 709 CE LYS A 45 -7.283 -3.146 -13.571 1.00 0.00 C ATOM 710 NZ LYS A 45 -7.865 -1.985 -14.298 1.00 0.00 N ATOM 0 H LYS A 45 -6.041 -2.577 -7.554 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.587 -4.944 -8.856 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.962 -2.567 -9.645 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.255 -2.472 -10.030 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.597 -4.497 -11.549 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.319 -4.307 -11.288 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.811 -1.777 -11.985 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.408 -2.497 -12.749 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.684 -3.742 -14.260 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.086 -3.788 -13.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.447 -2.327 -15.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.457 -1.430 -13.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.098 -1.386 -14.666 1.00 0.00 H new ATOM 724 N ALA A 46 -3.399 -4.108 -9.229 1.00 0.00 N ATOM 725 CA ALA A 46 -2.074 -4.650 -9.507 1.00 0.00 C ATOM 726 C ALA A 46 -1.614 -5.575 -8.385 1.00 0.00 C ATOM 727 O ALA A 46 -1.061 -6.645 -8.639 1.00 0.00 O ATOM 728 CB ALA A 46 -1.074 -3.521 -9.706 1.00 0.00 C ATOM 0 H ALA A 46 -3.421 -3.097 -9.092 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.132 -5.235 -10.425 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.089 -3.940 -9.913 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.388 -2.901 -10.545 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.027 -2.913 -8.803 1.00 0.00 H new ATOM 734 N TYR A 47 -1.846 -5.156 -7.146 1.00 0.00 N ATOM 735 CA TYR A 47 -1.453 -5.947 -5.986 1.00 0.00 C ATOM 736 C TYR A 47 -1.923 -7.391 -6.126 1.00 0.00 C ATOM 737 O TYR A 47 -1.115 -8.306 -6.292 1.00 0.00 O ATOM 738 CB TYR A 47 -2.025 -5.334 -4.707 1.00 0.00 C ATOM 739 CG TYR A 47 -1.141 -5.525 -3.495 1.00 0.00 C ATOM 740 CD1 TYR A 47 -0.460 -6.718 -3.289 1.00 0.00 C ATOM 741 CD2 TYR A 47 -0.986 -4.511 -2.558 1.00 0.00 C ATOM 742 CE1 TYR A 47 0.348 -6.897 -2.183 1.00 0.00 C ATOM 743 CE2 TYR A 47 -0.178 -4.681 -1.450 1.00 0.00 C ATOM 744 CZ TYR A 47 0.486 -5.876 -1.266 1.00 0.00 C ATOM 745 OH TYR A 47 1.291 -6.049 -0.164 1.00 0.00 O ATOM 0 H TYR A 47 -2.304 -4.273 -6.919 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.365 -5.943 -5.928 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.184 -4.267 -4.865 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -3.001 -5.776 -4.507 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.564 -7.519 -4.006 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.506 -3.575 -2.698 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.869 -7.832 -2.037 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.067 -3.882 -0.732 1.00 0.00 H new ATOM 0 HH TYR A 47 1.667 -5.185 0.105 1.00 0.00 H new ATOM 755 N CYS A 48 -3.235 -7.589 -6.059 1.00 0.00 N ATOM 756 CA CYS A 48 -3.815 -8.922 -6.178 1.00 0.00 C ATOM 757 C CYS A 48 -3.278 -9.640 -7.411 1.00 0.00 C ATOM 758 O CYS A 48 -3.013 -10.841 -7.375 1.00 0.00 O ATOM 759 CB CYS A 48 -5.340 -8.832 -6.248 1.00 0.00 C ATOM 760 SG CYS A 48 -6.186 -10.397 -5.925 1.00 0.00 S ATOM 0 H CYS A 48 -3.917 -6.843 -5.923 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.532 -9.495 -5.295 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.683 -8.090 -5.527 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.627 -8.473 -7.236 1.00 0.00 H new ATOM 0 HG CYS A 48 -7.471 -10.220 -6.005 1.00 0.00 H new ATOM 766 N GLU A 49 -3.121 -8.896 -8.502 1.00 0.00 N ATOM 767 CA GLU A 49 -2.618 -9.464 -9.747 1.00 0.00 C ATOM 768 C GLU A 49 -1.336 -10.255 -9.506 1.00 0.00 C ATOM 769 O GLU A 49 -1.050 -11.224 -10.209 1.00 0.00 O ATOM 770 CB GLU A 49 -2.362 -8.357 -10.771 1.00 0.00 C ATOM 771 CG GLU A 49 -2.491 -8.819 -12.213 1.00 0.00 C ATOM 772 CD GLU A 49 -3.909 -9.220 -12.572 1.00 0.00 C ATOM 773 OE1 GLU A 49 -4.837 -8.856 -11.821 1.00 0.00 O ATOM 774 OE2 GLU A 49 -4.089 -9.898 -13.606 1.00 0.00 O ATOM 0 H GLU A 49 -3.335 -7.900 -8.548 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.375 -10.144 -10.138 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.064 -7.542 -10.595 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.361 -7.954 -10.616 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.164 -8.019 -12.878 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.825 -9.665 -12.381 1.00 0.00 H new ATOM 781 N ARG A 50 -0.567 -9.834 -8.506 1.00 0.00 N ATOM 782 CA ARG A 50 0.685 -10.502 -8.173 1.00 0.00 C ATOM 783 C ARG A 50 0.483 -11.500 -7.036 1.00 0.00 C ATOM 784 O ARG A 50 1.113 -12.557 -7.008 1.00 0.00 O ATOM 785 CB ARG A 50 1.747 -9.473 -7.779 1.00 0.00 C ATOM 786 CG ARG A 50 1.943 -9.345 -6.277 1.00 0.00 C ATOM 787 CD ARG A 50 2.924 -8.233 -5.937 1.00 0.00 C ATOM 788 NE ARG A 50 4.115 -8.276 -6.781 1.00 0.00 N ATOM 789 CZ ARG A 50 4.919 -7.236 -6.971 1.00 0.00 C ATOM 790 NH1 ARG A 50 4.661 -6.078 -6.380 1.00 0.00 N ATOM 791 NH2 ARG A 50 5.984 -7.353 -7.754 1.00 0.00 N ATOM 0 H ARG A 50 -0.789 -9.034 -7.913 1.00 0.00 H new ATOM 0 HA ARG A 50 1.024 -11.045 -9.055 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.696 -9.749 -8.239 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.467 -8.501 -8.185 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.984 -9.145 -5.799 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.308 -10.290 -5.875 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.432 -7.267 -6.054 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.218 -8.317 -4.891 1.00 0.00 H new ATOM 0 HE ARG A 50 4.342 -9.153 -7.250 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.843 -5.984 -5.778 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.280 -5.281 -6.528 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.186 -8.242 -8.211 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.601 -6.554 -7.899 1.00 0.00 H new ATOM 805 N GLN A 51 -0.398 -11.156 -6.103 1.00 0.00 N ATOM 806 CA GLN A 51 -0.681 -12.022 -4.965 1.00 0.00 C ATOM 807 C GLN A 51 -2.053 -12.675 -5.105 1.00 0.00 C ATOM 808 O GLN A 51 -2.819 -12.745 -4.145 1.00 0.00 O ATOM 809 CB GLN A 51 -0.614 -11.225 -3.661 1.00 0.00 C ATOM 810 CG GLN A 51 -1.631 -10.097 -3.585 1.00 0.00 C ATOM 811 CD GLN A 51 -1.716 -9.481 -2.202 1.00 0.00 C ATOM 812 OE1 GLN A 51 -0.991 -9.875 -1.288 1.00 0.00 O ATOM 813 NE2 GLN A 51 -2.606 -8.508 -2.041 1.00 0.00 N ATOM 0 H GLN A 51 -0.928 -10.284 -6.112 1.00 0.00 H new ATOM 0 HA GLN A 51 0.075 -12.807 -4.942 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -0.772 -11.903 -2.822 1.00 0.00 H new ATOM 0 HB3 GLN A 51 0.387 -10.809 -3.550 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.366 -9.325 -4.307 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.612 -10.477 -3.870 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.186 -8.213 -2.826 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.709 -8.056 -1.132 1.00 0.00 H new ATOM 822 N GLY A 52 -2.356 -13.152 -6.309 1.00 0.00 N ATOM 823 CA GLY A 52 -3.635 -13.792 -6.553 1.00 0.00 C ATOM 824 C GLY A 52 -3.700 -15.194 -5.980 1.00 0.00 C ATOM 825 O GLY A 52 -3.915 -16.162 -6.710 1.00 0.00 O ATOM 0 H GLY A 52 -1.738 -13.106 -7.119 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.430 -13.187 -6.116 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.819 -13.833 -7.627 1.00 0.00 H new ATOM 829 N LEU A 53 -3.513 -15.305 -4.669 1.00 0.00 N ATOM 830 CA LEU A 53 -3.550 -16.600 -3.998 1.00 0.00 C ATOM 831 C LEU A 53 -4.727 -16.679 -3.032 1.00 0.00 C ATOM 832 O LEU A 53 -5.329 -17.738 -2.855 1.00 0.00 O ATOM 833 CB LEU A 53 -2.241 -16.844 -3.246 1.00 0.00 C ATOM 834 CG LEU A 53 -0.973 -16.311 -3.914 1.00 0.00 C ATOM 835 CD1 LEU A 53 0.260 -16.727 -3.128 1.00 0.00 C ATOM 836 CD2 LEU A 53 -0.882 -16.801 -5.352 1.00 0.00 C ATOM 0 H LEU A 53 -3.334 -14.514 -4.050 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.675 -17.372 -4.757 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.324 -16.393 -2.257 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.125 -17.918 -3.098 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.021 -15.222 -3.924 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.152 -16.339 -3.619 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.199 -16.326 -2.116 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.314 -17.815 -3.085 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.026 -16.412 -5.812 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.857 -17.891 -5.364 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.750 -16.452 -5.911 1.00 0.00 H new ATOM 848 N SER A 54 -5.053 -15.550 -2.410 1.00 0.00 N ATOM 849 CA SER A 54 -6.158 -15.491 -1.460 1.00 0.00 C ATOM 850 C SER A 54 -6.657 -14.059 -1.295 1.00 0.00 C ATOM 851 O SER A 54 -6.254 -13.352 -0.373 1.00 0.00 O ATOM 852 CB SER A 54 -5.723 -16.051 -0.104 1.00 0.00 C ATOM 853 OG SER A 54 -5.851 -17.462 -0.070 1.00 0.00 O ATOM 0 H SER A 54 -4.567 -14.664 -2.547 1.00 0.00 H new ATOM 0 HA SER A 54 -6.974 -16.099 -1.851 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.688 -15.772 0.093 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.329 -15.609 0.687 1.00 0.00 H new ATOM 0 HG SER A 54 -5.708 -17.825 -0.969 1.00 0.00 H new ATOM 859 N MET A 55 -7.538 -13.639 -2.197 1.00 0.00 N ATOM 860 CA MET A 55 -8.095 -12.292 -2.152 1.00 0.00 C ATOM 861 C MET A 55 -8.982 -12.111 -0.924 1.00 0.00 C ATOM 862 O MET A 55 -9.191 -10.992 -0.457 1.00 0.00 O ATOM 863 CB MET A 55 -8.897 -12.005 -3.423 1.00 0.00 C ATOM 864 CG MET A 55 -10.123 -12.890 -3.580 1.00 0.00 C ATOM 865 SD MET A 55 -10.867 -12.760 -5.217 1.00 0.00 S ATOM 866 CE MET A 55 -12.606 -12.695 -4.794 1.00 0.00 C ATOM 0 H MET A 55 -7.882 -14.212 -2.968 1.00 0.00 H new ATOM 0 HA MET A 55 -7.267 -11.586 -2.087 1.00 0.00 H new ATOM 0 HB2 MET A 55 -9.211 -10.961 -3.417 1.00 0.00 H new ATOM 0 HB3 MET A 55 -8.249 -12.138 -4.290 1.00 0.00 H new ATOM 0 HG2 MET A 55 -9.844 -13.927 -3.393 1.00 0.00 H new ATOM 0 HG3 MET A 55 -10.862 -12.618 -2.826 1.00 0.00 H new ATOM 0 HE1 MET A 55 -13.199 -12.614 -5.705 1.00 0.00 H new ATOM 0 HE2 MET A 55 -12.885 -13.603 -4.260 1.00 0.00 H new ATOM 0 HE3 MET A 55 -12.794 -11.829 -4.160 1.00 0.00 H new ATOM 876 N ARG A 56 -9.502 -13.220 -0.408 1.00 0.00 N ATOM 877 CA ARG A 56 -10.369 -13.183 0.764 1.00 0.00 C ATOM 878 C ARG A 56 -9.574 -12.828 2.017 1.00 0.00 C ATOM 879 O ARG A 56 -10.136 -12.371 3.012 1.00 0.00 O ATOM 880 CB ARG A 56 -11.064 -14.532 0.954 1.00 0.00 C ATOM 881 CG ARG A 56 -12.259 -14.736 0.036 1.00 0.00 C ATOM 882 CD ARG A 56 -12.671 -16.199 -0.026 1.00 0.00 C ATOM 883 NE ARG A 56 -11.747 -16.994 -0.829 1.00 0.00 N ATOM 884 CZ ARG A 56 -12.054 -18.180 -1.344 1.00 0.00 C ATOM 885 NH1 ARG A 56 -13.254 -18.704 -1.141 1.00 0.00 N ATOM 886 NH2 ARG A 56 -11.159 -18.843 -2.065 1.00 0.00 N ATOM 0 H ARG A 56 -9.338 -14.154 -0.783 1.00 0.00 H new ATOM 0 HA ARG A 56 -11.123 -12.413 0.602 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.343 -15.331 0.780 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -11.393 -14.619 1.990 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -13.097 -14.136 0.389 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -12.014 -14.383 -0.966 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.716 -16.606 0.984 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -13.674 -16.276 -0.445 1.00 0.00 H new ATOM 0 HE ARG A 56 -10.815 -16.619 -1.004 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.945 -18.197 -0.588 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -13.487 -19.614 -1.538 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.235 -18.442 -2.224 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.395 -19.753 -2.460 1.00 0.00 H new ATOM 900 N GLN A 57 -8.263 -13.043 1.961 1.00 0.00 N ATOM 901 CA GLN A 57 -7.392 -12.747 3.092 1.00 0.00 C ATOM 902 C GLN A 57 -6.846 -11.325 3.001 1.00 0.00 C ATOM 903 O GLN A 57 -6.677 -10.649 4.017 1.00 0.00 O ATOM 904 CB GLN A 57 -6.236 -13.747 3.147 1.00 0.00 C ATOM 905 CG GLN A 57 -5.778 -14.070 4.561 1.00 0.00 C ATOM 906 CD GLN A 57 -6.586 -15.186 5.194 1.00 0.00 C ATOM 907 OE1 GLN A 57 -6.673 -16.289 4.655 1.00 0.00 O ATOM 908 NE2 GLN A 57 -7.184 -14.903 6.346 1.00 0.00 N ATOM 0 H GLN A 57 -7.782 -13.421 1.145 1.00 0.00 H new ATOM 0 HA GLN A 57 -7.981 -12.833 4.005 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -6.541 -14.670 2.653 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.393 -13.347 2.583 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -4.726 -14.354 4.542 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -5.856 -13.175 5.178 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -7.085 -13.975 6.757 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -7.742 -15.614 6.819 1.00 0.00 H new ATOM 917 N ILE A 58 -6.573 -10.879 1.780 1.00 0.00 N ATOM 918 CA ILE A 58 -6.047 -9.538 1.558 1.00 0.00 C ATOM 919 C ILE A 58 -7.072 -8.475 1.940 1.00 0.00 C ATOM 920 O ILE A 58 -8.169 -8.429 1.384 1.00 0.00 O ATOM 921 CB ILE A 58 -5.633 -9.331 0.089 1.00 0.00 C ATOM 922 CG1 ILE A 58 -4.565 -10.351 -0.311 1.00 0.00 C ATOM 923 CG2 ILE A 58 -5.126 -7.913 -0.124 1.00 0.00 C ATOM 924 CD1 ILE A 58 -3.283 -10.225 0.481 1.00 0.00 C ATOM 0 H ILE A 58 -6.707 -11.426 0.930 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.167 -9.436 2.193 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.507 -9.482 -0.544 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.966 -11.356 -0.180 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.341 -10.233 -1.371 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.837 -7.783 -1.167 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -5.915 -7.203 0.126 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.262 -7.735 0.516 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.572 -10.979 0.144 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.858 -9.233 0.330 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.494 -10.372 1.540 1.00 0.00 H new ATOM 936 N ARG A 59 -6.706 -7.622 2.891 1.00 0.00 N ATOM 937 CA ARG A 59 -7.593 -6.559 3.347 1.00 0.00 C ATOM 938 C ARG A 59 -6.794 -5.387 3.908 1.00 0.00 C ATOM 939 O ARG A 59 -6.031 -5.542 4.862 1.00 0.00 O ATOM 940 CB ARG A 59 -8.555 -7.090 4.411 1.00 0.00 C ATOM 941 CG ARG A 59 -9.872 -7.594 3.845 1.00 0.00 C ATOM 942 CD ARG A 59 -11.017 -7.381 4.822 1.00 0.00 C ATOM 943 NE ARG A 59 -11.394 -5.973 4.926 1.00 0.00 N ATOM 944 CZ ARG A 59 -12.107 -5.334 4.005 1.00 0.00 C ATOM 945 NH1 ARG A 59 -12.519 -5.973 2.919 1.00 0.00 N ATOM 946 NH2 ARG A 59 -12.410 -4.053 4.171 1.00 0.00 N ATOM 0 H ARG A 59 -5.801 -7.646 3.361 1.00 0.00 H new ATOM 0 HA ARG A 59 -8.168 -6.207 2.490 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -8.070 -7.900 4.955 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -8.759 -6.298 5.132 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -10.089 -7.077 2.910 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -9.786 -8.655 3.610 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -11.880 -7.965 4.502 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -10.728 -7.752 5.805 1.00 0.00 H new ATOM 0 HE ARG A 59 -11.093 -5.453 5.750 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -12.289 -6.958 2.789 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -13.066 -5.480 2.214 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -12.095 -3.559 5.006 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -12.957 -3.563 3.464 1.00 0.00 H new ATOM 960 N PHE A 60 -6.973 -4.214 3.309 1.00 0.00 N ATOM 961 CA PHE A 60 -6.268 -3.016 3.748 1.00 0.00 C ATOM 962 C PHE A 60 -6.909 -2.437 5.006 1.00 0.00 C ATOM 963 O PHE A 60 -8.121 -2.228 5.058 1.00 0.00 O ATOM 964 CB PHE A 60 -6.263 -1.965 2.635 1.00 0.00 C ATOM 965 CG PHE A 60 -5.090 -2.084 1.704 1.00 0.00 C ATOM 966 CD1 PHE A 60 -3.848 -1.590 2.067 1.00 0.00 C ATOM 967 CD2 PHE A 60 -5.231 -2.690 0.466 1.00 0.00 C ATOM 968 CE1 PHE A 60 -2.768 -1.697 1.211 1.00 0.00 C ATOM 969 CE2 PHE A 60 -4.154 -2.801 -0.393 1.00 0.00 C ATOM 970 CZ PHE A 60 -2.921 -2.304 -0.020 1.00 0.00 C ATOM 0 H PHE A 60 -7.600 -4.068 2.518 1.00 0.00 H new ATOM 0 HA PHE A 60 -5.240 -3.295 3.981 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -7.184 -2.053 2.059 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -6.261 -0.972 3.084 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -3.722 -1.116 3.029 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -6.193 -3.080 0.169 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.805 -1.306 1.505 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -4.277 -3.276 -1.355 1.00 0.00 H new ATOM 0 HZ PHE A 60 -2.078 -2.390 -0.690 1.00 0.00 H new ATOM 980 N ARG A 61 -6.086 -2.182 6.018 1.00 0.00 N ATOM 981 CA ARG A 61 -6.572 -1.630 7.277 1.00 0.00 C ATOM 982 C ARG A 61 -5.499 -0.775 7.945 1.00 0.00 C ATOM 983 O ARG A 61 -4.345 -1.188 8.064 1.00 0.00 O ATOM 984 CB ARG A 61 -7.002 -2.755 8.220 1.00 0.00 C ATOM 985 CG ARG A 61 -8.164 -2.380 9.125 1.00 0.00 C ATOM 986 CD ARG A 61 -9.502 -2.655 8.456 1.00 0.00 C ATOM 987 NE ARG A 61 -9.841 -4.075 8.472 1.00 0.00 N ATOM 988 CZ ARG A 61 -10.176 -4.738 9.573 1.00 0.00 C ATOM 989 NH1 ARG A 61 -10.217 -4.112 10.741 1.00 0.00 N ATOM 990 NH2 ARG A 61 -10.472 -6.030 9.507 1.00 0.00 N ATOM 0 H ARG A 61 -5.080 -2.349 5.991 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.433 -0.999 7.059 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.280 -3.627 7.628 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.151 -3.046 8.837 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.099 -2.944 10.056 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -8.097 -1.324 9.387 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -10.284 -2.090 8.964 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -9.471 -2.301 7.425 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.819 -4.586 7.589 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.991 -3.119 10.796 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.475 -4.624 11.585 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.442 -6.515 8.610 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.729 -6.538 10.353 1.00 0.00 H new ATOM 1004 N PHE A 62 -5.888 0.420 8.379 1.00 0.00 N ATOM 1005 CA PHE A 62 -4.960 1.334 9.034 1.00 0.00 C ATOM 1006 C PHE A 62 -5.174 1.337 10.545 1.00 0.00 C ATOM 1007 O PHE A 62 -6.224 0.921 11.035 1.00 0.00 O ATOM 1008 CB PHE A 62 -5.130 2.751 8.481 1.00 0.00 C ATOM 1009 CG PHE A 62 -4.041 3.694 8.903 1.00 0.00 C ATOM 1010 CD1 PHE A 62 -2.723 3.454 8.550 1.00 0.00 C ATOM 1011 CD2 PHE A 62 -4.335 4.822 9.653 1.00 0.00 C ATOM 1012 CE1 PHE A 62 -1.718 4.321 8.936 1.00 0.00 C ATOM 1013 CE2 PHE A 62 -3.334 5.692 10.042 1.00 0.00 C ATOM 1014 CZ PHE A 62 -2.024 5.441 9.684 1.00 0.00 C ATOM 0 H PHE A 62 -6.839 0.777 8.289 1.00 0.00 H new ATOM 0 HA PHE A 62 -3.946 0.990 8.829 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -5.159 2.706 7.392 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.091 3.148 8.810 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.478 2.579 7.966 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.358 5.023 9.937 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.695 4.123 8.653 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -3.576 6.568 10.626 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.240 6.119 9.988 1.00 0.00 H new ATOM 1024 N ASP A 63 -4.171 1.808 11.278 1.00 0.00 N ATOM 1025 CA ASP A 63 -4.248 1.866 12.733 1.00 0.00 C ATOM 1026 C ASP A 63 -5.130 3.026 13.184 1.00 0.00 C ATOM 1027 O ASP A 63 -4.690 3.900 13.929 1.00 0.00 O ATOM 1028 CB ASP A 63 -2.849 2.009 13.334 1.00 0.00 C ATOM 1029 CG ASP A 63 -2.819 1.684 14.814 1.00 0.00 C ATOM 1030 OD1 ASP A 63 -3.567 0.778 15.239 1.00 0.00 O ATOM 1031 OD2 ASP A 63 -2.046 2.334 15.549 1.00 0.00 O ATOM 0 H ASP A 63 -3.295 2.155 10.888 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.693 0.936 13.086 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.161 1.349 12.806 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.494 3.028 13.181 1.00 0.00 H new ATOM 1036 N GLY A 64 -6.379 3.026 12.727 1.00 0.00 N ATOM 1037 CA GLY A 64 -7.302 4.084 13.093 1.00 0.00 C ATOM 1038 C GLY A 64 -8.709 3.826 12.589 1.00 0.00 C ATOM 1039 O GLY A 64 -9.685 4.201 13.238 1.00 0.00 O ATOM 0 H GLY A 64 -6.767 2.312 12.110 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.321 4.186 14.178 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.943 5.031 12.690 1.00 0.00 H new ATOM 1043 N GLN A 65 -8.812 3.185 11.430 1.00 0.00 N ATOM 1044 CA GLN A 65 -10.110 2.879 10.839 1.00 0.00 C ATOM 1045 C GLN A 65 -9.945 2.135 9.518 1.00 0.00 C ATOM 1046 O GLN A 65 -8.899 2.193 8.871 1.00 0.00 O ATOM 1047 CB GLN A 65 -10.908 4.165 10.617 1.00 0.00 C ATOM 1048 CG GLN A 65 -10.062 5.329 10.126 1.00 0.00 C ATOM 1049 CD GLN A 65 -10.900 6.508 9.672 1.00 0.00 C ATOM 1050 OE1 GLN A 65 -11.974 6.336 9.095 1.00 0.00 O ATOM 1051 NE2 GLN A 65 -10.412 7.716 9.930 1.00 0.00 N ATOM 0 H GLN A 65 -8.013 2.867 10.881 1.00 0.00 H new ATOM 0 HA GLN A 65 -10.654 2.236 11.531 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -11.700 3.971 9.893 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -11.393 4.448 11.551 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -9.393 5.650 10.925 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -9.435 4.994 9.300 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -9.518 7.813 10.411 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -10.932 8.547 9.647 1.00 0.00 H new ATOM 1060 N PRO A 66 -11.001 1.417 9.107 1.00 0.00 N ATOM 1061 CA PRO A 66 -10.998 0.647 7.860 1.00 0.00 C ATOM 1062 C PRO A 66 -11.002 1.542 6.626 1.00 0.00 C ATOM 1063 O PRO A 66 -10.926 2.767 6.736 1.00 0.00 O ATOM 1064 CB PRO A 66 -12.295 -0.161 7.939 1.00 0.00 C ATOM 1065 CG PRO A 66 -13.184 0.635 8.830 1.00 0.00 C ATOM 1066 CD PRO A 66 -12.280 1.302 9.829 1.00 0.00 C ATOM 0 HA PRO A 66 -10.103 0.033 7.762 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -12.739 -0.294 6.953 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -12.117 -1.157 8.345 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -13.748 1.373 8.260 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -13.911 -0.006 9.329 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -12.662 2.278 10.128 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -12.177 0.708 10.737 1.00 0.00 H new ATOM 1074 N ILE A 67 -11.092 0.925 5.453 1.00 0.00 N ATOM 1075 CA ILE A 67 -11.108 1.667 4.199 1.00 0.00 C ATOM 1076 C ILE A 67 -12.107 1.065 3.216 1.00 0.00 C ATOM 1077 O ILE A 67 -12.245 -0.154 3.125 1.00 0.00 O ATOM 1078 CB ILE A 67 -9.715 1.696 3.544 1.00 0.00 C ATOM 1079 CG1 ILE A 67 -8.652 2.085 4.573 1.00 0.00 C ATOM 1080 CG2 ILE A 67 -9.701 2.664 2.370 1.00 0.00 C ATOM 1081 CD1 ILE A 67 -7.247 2.108 4.012 1.00 0.00 C ATOM 0 H ILE A 67 -11.155 -0.087 5.345 1.00 0.00 H new ATOM 0 HA ILE A 67 -11.409 2.687 4.440 1.00 0.00 H new ATOM 0 HB ILE A 67 -9.485 0.698 3.170 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -8.890 3.070 4.975 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -8.690 1.383 5.406 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -8.709 2.673 1.918 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -10.435 2.348 1.629 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -9.949 3.666 2.721 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -6.546 2.392 4.797 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.989 1.118 3.636 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -7.192 2.831 3.198 1.00 0.00 H new ATOM 1093 N ASN A 68 -12.800 1.928 2.481 1.00 0.00 N ATOM 1094 CA ASN A 68 -13.785 1.482 1.503 1.00 0.00 C ATOM 1095 C ASN A 68 -13.267 1.676 0.081 1.00 0.00 C ATOM 1096 O ASN A 68 -12.110 2.040 -0.124 1.00 0.00 O ATOM 1097 CB ASN A 68 -15.099 2.243 1.688 1.00 0.00 C ATOM 1098 CG ASN A 68 -15.674 2.075 3.081 1.00 0.00 C ATOM 1099 OD1 ASN A 68 -15.758 0.962 3.600 1.00 0.00 O ATOM 1100 ND2 ASN A 68 -16.073 3.184 3.694 1.00 0.00 N ATOM 0 H ASN A 68 -12.698 2.941 2.544 1.00 0.00 H new ATOM 0 HA ASN A 68 -13.963 0.419 1.663 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -14.933 3.302 1.492 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -15.825 1.893 0.954 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -16.468 3.134 4.633 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -15.984 4.086 3.226 1.00 0.00 H new ATOM 1107 N GLU A 69 -14.134 1.431 -0.897 1.00 0.00 N ATOM 1108 CA GLU A 69 -13.763 1.578 -2.300 1.00 0.00 C ATOM 1109 C GLU A 69 -14.015 3.004 -2.781 1.00 0.00 C ATOM 1110 O GLU A 69 -13.409 3.461 -3.752 1.00 0.00 O ATOM 1111 CB GLU A 69 -14.548 0.590 -3.165 1.00 0.00 C ATOM 1112 CG GLU A 69 -16.054 0.783 -3.096 1.00 0.00 C ATOM 1113 CD GLU A 69 -16.703 -0.070 -2.023 1.00 0.00 C ATOM 1114 OE1 GLU A 69 -16.857 -1.289 -2.246 1.00 0.00 O ATOM 1115 OE2 GLU A 69 -17.056 0.482 -0.960 1.00 0.00 O ATOM 0 H GLU A 69 -15.097 1.130 -0.744 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.698 1.363 -2.393 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -14.224 0.690 -4.201 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -14.306 -0.426 -2.852 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -16.273 1.833 -2.902 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -16.493 0.539 -4.064 1.00 0.00 H new ATOM 1122 N THR A 70 -14.914 3.704 -2.097 1.00 0.00 N ATOM 1123 CA THR A 70 -15.248 5.077 -2.455 1.00 0.00 C ATOM 1124 C THR A 70 -14.564 6.070 -1.523 1.00 0.00 C ATOM 1125 O THR A 70 -15.119 7.123 -1.206 1.00 0.00 O ATOM 1126 CB THR A 70 -16.770 5.314 -2.412 1.00 0.00 C ATOM 1127 OG1 THR A 70 -17.078 6.611 -2.934 1.00 0.00 O ATOM 1128 CG2 THR A 70 -17.296 5.196 -0.989 1.00 0.00 C ATOM 0 H THR A 70 -15.424 3.342 -1.291 1.00 0.00 H new ATOM 0 HA THR A 70 -14.892 5.234 -3.473 1.00 0.00 H new ATOM 0 HB THR A 70 -17.252 4.552 -3.025 1.00 0.00 H new ATOM 0 HG1 THR A 70 -16.554 7.288 -2.457 1.00 0.00 H new ATOM 0 HG21 THR A 70 -18.372 5.367 -0.984 1.00 0.00 H new ATOM 0 HG22 THR A 70 -17.085 4.198 -0.605 1.00 0.00 H new ATOM 0 HG23 THR A 70 -16.807 5.938 -0.358 1.00 0.00 H new ATOM 1136 N ASP A 71 -13.356 5.729 -1.087 1.00 0.00 N ATOM 1137 CA ASP A 71 -12.595 6.593 -0.192 1.00 0.00 C ATOM 1138 C ASP A 71 -11.257 6.979 -0.817 1.00 0.00 C ATOM 1139 O ASP A 71 -10.868 6.446 -1.856 1.00 0.00 O ATOM 1140 CB ASP A 71 -12.363 5.896 1.149 1.00 0.00 C ATOM 1141 CG ASP A 71 -12.653 6.801 2.330 1.00 0.00 C ATOM 1142 OD1 ASP A 71 -12.563 8.035 2.167 1.00 0.00 O ATOM 1143 OD2 ASP A 71 -12.969 6.275 3.418 1.00 0.00 O ATOM 0 H ASP A 71 -12.883 4.861 -1.339 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.174 7.502 -0.025 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -12.996 5.011 1.209 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.330 5.553 1.203 1.00 0.00 H new ATOM 1148 N THR A 72 -10.558 7.911 -0.176 1.00 0.00 N ATOM 1149 CA THR A 72 -9.266 8.370 -0.670 1.00 0.00 C ATOM 1150 C THR A 72 -8.308 8.658 0.481 1.00 0.00 C ATOM 1151 O THR A 72 -8.718 8.870 1.623 1.00 0.00 O ATOM 1152 CB THR A 72 -9.412 9.639 -1.531 1.00 0.00 C ATOM 1153 OG1 THR A 72 -10.487 10.445 -1.037 1.00 0.00 O ATOM 1154 CG2 THR A 72 -9.669 9.278 -2.986 1.00 0.00 C ATOM 0 H THR A 72 -10.865 8.362 0.686 1.00 0.00 H new ATOM 0 HA THR A 72 -8.860 7.567 -1.285 1.00 0.00 H new ATOM 0 HB THR A 72 -8.480 10.201 -1.472 1.00 0.00 H new ATOM 0 HG1 THR A 72 -10.572 11.251 -1.589 1.00 0.00 H new ATOM 0 HG21 THR A 72 -9.769 10.190 -3.575 1.00 0.00 H new ATOM 0 HG22 THR A 72 -8.835 8.689 -3.368 1.00 0.00 H new ATOM 0 HG23 THR A 72 -10.588 8.696 -3.060 1.00 0.00 H new ATOM 1162 N PRO A 73 -7.002 8.668 0.177 1.00 0.00 N ATOM 1163 CA PRO A 73 -5.959 8.931 1.173 1.00 0.00 C ATOM 1164 C PRO A 73 -5.961 10.381 1.645 1.00 0.00 C ATOM 1165 O PRO A 73 -5.258 10.737 2.591 1.00 0.00 O ATOM 1166 CB PRO A 73 -4.664 8.615 0.422 1.00 0.00 C ATOM 1167 CG PRO A 73 -4.999 8.819 -1.015 1.00 0.00 C ATOM 1168 CD PRO A 73 -6.442 8.425 -1.163 1.00 0.00 C ATOM 0 HA PRO A 73 -6.099 8.338 2.077 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -3.854 9.273 0.737 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.336 7.593 0.611 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -4.846 9.858 -1.308 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -4.360 8.210 -1.655 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.946 9.022 -1.923 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.545 7.381 -1.458 1.00 0.00 H new ATOM 1176 N ALA A 74 -6.755 11.214 0.981 1.00 0.00 N ATOM 1177 CA ALA A 74 -6.850 12.625 1.335 1.00 0.00 C ATOM 1178 C ALA A 74 -7.764 12.829 2.538 1.00 0.00 C ATOM 1179 O ALA A 74 -7.647 13.822 3.256 1.00 0.00 O ATOM 1180 CB ALA A 74 -7.349 13.435 0.147 1.00 0.00 C ATOM 0 H ALA A 74 -7.342 10.936 0.195 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.853 12.974 1.606 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.415 14.487 0.426 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.656 13.323 -0.687 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.334 13.076 -0.150 1.00 0.00 H new ATOM 1186 N GLN A 75 -8.674 11.884 2.751 1.00 0.00 N ATOM 1187 CA GLN A 75 -9.609 11.962 3.868 1.00 0.00 C ATOM 1188 C GLN A 75 -9.329 10.866 4.890 1.00 0.00 C ATOM 1189 O GLN A 75 -10.147 10.600 5.772 1.00 0.00 O ATOM 1190 CB GLN A 75 -11.049 11.850 3.363 1.00 0.00 C ATOM 1191 CG GLN A 75 -11.579 13.134 2.747 1.00 0.00 C ATOM 1192 CD GLN A 75 -13.091 13.233 2.815 1.00 0.00 C ATOM 1193 OE1 GLN A 75 -13.654 13.625 3.837 1.00 0.00 O ATOM 1194 NE2 GLN A 75 -13.757 12.877 1.723 1.00 0.00 N ATOM 0 H GLN A 75 -8.784 11.056 2.166 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.476 12.928 4.354 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.105 11.052 2.623 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -11.695 11.561 4.192 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -11.139 13.988 3.262 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -11.261 13.191 1.706 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -13.250 12.558 0.898 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -14.776 12.923 1.709 1.00 0.00 H new ATOM 1203 N LEU A 76 -8.168 10.231 4.767 1.00 0.00 N ATOM 1204 CA LEU A 76 -7.780 9.162 5.680 1.00 0.00 C ATOM 1205 C LEU A 76 -6.533 9.547 6.470 1.00 0.00 C ATOM 1206 O LEU A 76 -6.224 8.940 7.495 1.00 0.00 O ATOM 1207 CB LEU A 76 -7.527 7.868 4.905 1.00 0.00 C ATOM 1208 CG LEU A 76 -8.704 6.896 4.818 1.00 0.00 C ATOM 1209 CD1 LEU A 76 -8.981 6.272 6.177 1.00 0.00 C ATOM 1210 CD2 LEU A 76 -9.943 7.605 4.292 1.00 0.00 C ATOM 0 H LEU A 76 -7.479 10.438 4.044 1.00 0.00 H new ATOM 0 HA LEU A 76 -8.598 9.003 6.382 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.222 8.129 3.892 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.687 7.350 5.367 1.00 0.00 H new ATOM 0 HG LEU A 76 -8.443 6.099 4.121 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -9.822 5.583 6.096 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -8.098 5.729 6.515 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.222 7.056 6.895 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -10.771 6.898 4.237 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -10.208 8.422 4.964 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -9.740 8.004 3.298 1.00 0.00 H new ATOM 1222 N GLU A 77 -5.822 10.562 5.987 1.00 0.00 N ATOM 1223 CA GLU A 77 -4.610 11.028 6.649 1.00 0.00 C ATOM 1224 C GLU A 77 -3.529 9.951 6.628 1.00 0.00 C ATOM 1225 O GLU A 77 -2.621 9.951 7.458 1.00 0.00 O ATOM 1226 CB GLU A 77 -4.914 11.431 8.094 1.00 0.00 C ATOM 1227 CG GLU A 77 -6.154 12.299 8.235 1.00 0.00 C ATOM 1228 CD GLU A 77 -6.041 13.297 9.371 1.00 0.00 C ATOM 1229 OE1 GLU A 77 -5.099 13.171 10.181 1.00 0.00 O ATOM 1230 OE2 GLU A 77 -6.895 14.205 9.449 1.00 0.00 O ATOM 0 H GLU A 77 -6.065 11.076 5.140 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.243 11.898 6.105 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.041 10.530 8.695 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.057 11.967 8.501 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.326 12.835 7.301 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.022 11.661 8.401 1.00 0.00 H new ATOM 1237 N MET A 78 -3.635 9.034 5.672 1.00 0.00 N ATOM 1238 CA MET A 78 -2.667 7.951 5.541 1.00 0.00 C ATOM 1239 C MET A 78 -1.509 8.363 4.637 1.00 0.00 C ATOM 1240 O MET A 78 -1.389 7.883 3.511 1.00 0.00 O ATOM 1241 CB MET A 78 -3.344 6.698 4.983 1.00 0.00 C ATOM 1242 CG MET A 78 -4.148 6.953 3.718 1.00 0.00 C ATOM 1243 SD MET A 78 -4.361 5.468 2.718 1.00 0.00 S ATOM 1244 CE MET A 78 -6.135 5.245 2.817 1.00 0.00 C ATOM 0 H MET A 78 -4.381 9.019 4.977 1.00 0.00 H new ATOM 0 HA MET A 78 -2.270 7.730 6.532 1.00 0.00 H new ATOM 0 HB2 MET A 78 -2.583 5.946 4.774 1.00 0.00 H new ATOM 0 HB3 MET A 78 -4.003 6.281 5.745 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.127 7.348 3.988 1.00 0.00 H new ATOM 0 HG3 MET A 78 -3.649 7.718 3.123 1.00 0.00 H new ATOM 0 HE1 MET A 78 -6.464 4.583 2.016 1.00 0.00 H new ATOM 0 HE2 MET A 78 -6.393 4.805 3.780 1.00 0.00 H new ATOM 0 HE3 MET A 78 -6.629 6.211 2.715 1.00 0.00 H new ATOM 1254 N GLU A 79 -0.661 9.255 5.139 1.00 0.00 N ATOM 1255 CA GLU A 79 0.486 9.732 4.375 1.00 0.00 C ATOM 1256 C GLU A 79 1.703 9.915 5.278 1.00 0.00 C ATOM 1257 O GLU A 79 1.712 9.465 6.424 1.00 0.00 O ATOM 1258 CB GLU A 79 0.150 11.053 3.680 1.00 0.00 C ATOM 1259 CG GLU A 79 -1.308 11.172 3.271 1.00 0.00 C ATOM 1260 CD GLU A 79 -1.611 12.479 2.564 1.00 0.00 C ATOM 1261 OE1 GLU A 79 -0.652 13.170 2.159 1.00 0.00 O ATOM 1262 OE2 GLU A 79 -2.805 12.811 2.414 1.00 0.00 O ATOM 0 H GLU A 79 -0.746 9.662 6.071 1.00 0.00 H new ATOM 0 HA GLU A 79 0.724 8.983 3.620 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.400 11.878 4.347 1.00 0.00 H new ATOM 0 HB3 GLU A 79 0.777 11.157 2.794 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.567 10.340 2.616 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.938 11.088 4.157 1.00 0.00 H new ATOM 1269 N ASP A 80 2.728 10.576 4.752 1.00 0.00 N ATOM 1270 CA ASP A 80 3.950 10.819 5.509 1.00 0.00 C ATOM 1271 C ASP A 80 4.653 9.507 5.843 1.00 0.00 C ATOM 1272 O ASP A 80 5.038 9.273 6.987 1.00 0.00 O ATOM 1273 CB ASP A 80 3.635 11.585 6.795 1.00 0.00 C ATOM 1274 CG ASP A 80 2.542 12.617 6.601 1.00 0.00 C ATOM 1275 OD1 ASP A 80 2.576 13.332 5.578 1.00 0.00 O ATOM 1276 OD2 ASP A 80 1.652 12.710 7.473 1.00 0.00 O ATOM 0 H ASP A 80 2.737 10.953 3.804 1.00 0.00 H new ATOM 0 HA ASP A 80 4.617 11.420 4.891 1.00 0.00 H new ATOM 0 HB2 ASP A 80 3.332 10.880 7.569 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.539 12.080 7.150 1.00 0.00 H new ATOM 1281 N GLU A 81 4.814 8.655 4.835 1.00 0.00 N ATOM 1282 CA GLU A 81 5.468 7.365 5.023 1.00 0.00 C ATOM 1283 C GLU A 81 4.720 6.521 6.051 1.00 0.00 C ATOM 1284 O GLU A 81 5.328 5.921 6.938 1.00 0.00 O ATOM 1285 CB GLU A 81 6.918 7.564 5.468 1.00 0.00 C ATOM 1286 CG GLU A 81 7.670 8.599 4.648 1.00 0.00 C ATOM 1287 CD GLU A 81 9.144 8.663 4.999 1.00 0.00 C ATOM 1288 OE1 GLU A 81 9.462 8.954 6.172 1.00 0.00 O ATOM 1289 OE2 GLU A 81 9.979 8.423 4.103 1.00 0.00 O ATOM 0 H GLU A 81 4.501 8.835 3.881 1.00 0.00 H new ATOM 0 HA GLU A 81 5.457 6.838 4.069 1.00 0.00 H new ATOM 0 HB2 GLU A 81 6.930 7.865 6.516 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.443 6.611 5.404 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.562 8.366 3.589 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.220 9.579 4.806 1.00 0.00 H new ATOM 1296 N ASP A 82 3.398 6.480 5.926 1.00 0.00 N ATOM 1297 CA ASP A 82 2.567 5.709 6.842 1.00 0.00 C ATOM 1298 C ASP A 82 2.627 4.221 6.511 1.00 0.00 C ATOM 1299 O ASP A 82 2.944 3.837 5.385 1.00 0.00 O ATOM 1300 CB ASP A 82 1.119 6.199 6.786 1.00 0.00 C ATOM 1301 CG ASP A 82 0.319 5.515 5.694 1.00 0.00 C ATOM 1302 OD1 ASP A 82 0.843 5.385 4.569 1.00 0.00 O ATOM 1303 OD2 ASP A 82 -0.832 5.112 5.966 1.00 0.00 O ATOM 0 H ASP A 82 2.879 6.972 5.199 1.00 0.00 H new ATOM 0 HA ASP A 82 2.953 5.853 7.851 1.00 0.00 H new ATOM 0 HB2 ASP A 82 0.641 6.021 7.749 1.00 0.00 H new ATOM 0 HB3 ASP A 82 1.109 7.276 6.620 1.00 0.00 H new ATOM 1308 N THR A 83 2.321 3.387 7.499 1.00 0.00 N ATOM 1309 CA THR A 83 2.342 1.941 7.314 1.00 0.00 C ATOM 1310 C THR A 83 0.953 1.343 7.500 1.00 0.00 C ATOM 1311 O THR A 83 0.436 1.286 8.616 1.00 0.00 O ATOM 1312 CB THR A 83 3.317 1.263 8.295 1.00 0.00 C ATOM 1313 OG1 THR A 83 4.536 2.010 8.369 1.00 0.00 O ATOM 1314 CG2 THR A 83 3.616 -0.164 7.861 1.00 0.00 C ATOM 0 H THR A 83 2.055 3.688 8.437 1.00 0.00 H new ATOM 0 HA THR A 83 2.679 1.758 6.294 1.00 0.00 H new ATOM 0 HB THR A 83 2.848 1.236 9.279 1.00 0.00 H new ATOM 0 HG1 THR A 83 5.150 1.573 8.996 1.00 0.00 H new ATOM 0 HG21 THR A 83 4.307 -0.622 8.569 1.00 0.00 H new ATOM 0 HG22 THR A 83 2.690 -0.738 7.834 1.00 0.00 H new ATOM 0 HG23 THR A 83 4.066 -0.156 6.868 1.00 0.00 H new ATOM 1322 N ILE A 84 0.353 0.897 6.401 1.00 0.00 N ATOM 1323 CA ILE A 84 -0.976 0.300 6.445 1.00 0.00 C ATOM 1324 C ILE A 84 -0.896 -1.203 6.691 1.00 0.00 C ATOM 1325 O ILE A 84 -0.253 -1.932 5.936 1.00 0.00 O ATOM 1326 CB ILE A 84 -1.751 0.555 5.139 1.00 0.00 C ATOM 1327 CG1 ILE A 84 -1.710 2.041 4.778 1.00 0.00 C ATOM 1328 CG2 ILE A 84 -3.188 0.076 5.274 1.00 0.00 C ATOM 1329 CD1 ILE A 84 -0.685 2.378 3.718 1.00 0.00 C ATOM 0 H ILE A 84 0.766 0.938 5.469 1.00 0.00 H new ATOM 0 HA ILE A 84 -1.507 0.773 7.271 1.00 0.00 H new ATOM 0 HB ILE A 84 -1.275 -0.008 4.336 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.696 2.349 4.429 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.495 2.619 5.677 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.723 0.263 4.343 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.197 -0.993 5.489 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.676 0.614 6.087 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.712 3.448 3.513 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.308 2.102 4.071 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -0.911 1.828 2.805 1.00 0.00 H new ATOM 1341 N ASP A 85 -1.555 -1.659 7.751 1.00 0.00 N ATOM 1342 CA ASP A 85 -1.561 -3.076 8.095 1.00 0.00 C ATOM 1343 C ASP A 85 -2.519 -3.850 7.194 1.00 0.00 C ATOM 1344 O ASP A 85 -3.667 -3.449 7.002 1.00 0.00 O ATOM 1345 CB ASP A 85 -1.955 -3.265 9.561 1.00 0.00 C ATOM 1346 CG ASP A 85 -0.797 -3.022 10.508 1.00 0.00 C ATOM 1347 OD1 ASP A 85 0.241 -2.496 10.054 1.00 0.00 O ATOM 1348 OD2 ASP A 85 -0.928 -3.356 11.704 1.00 0.00 O ATOM 0 H ASP A 85 -2.091 -1.068 8.386 1.00 0.00 H new ATOM 0 HA ASP A 85 -0.554 -3.466 7.944 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -2.770 -2.584 9.806 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -2.332 -4.278 9.705 1.00 0.00 H new ATOM 1353 N VAL A 86 -2.038 -4.960 6.644 1.00 0.00 N ATOM 1354 CA VAL A 86 -2.851 -5.790 5.763 1.00 0.00 C ATOM 1355 C VAL A 86 -2.669 -7.270 6.080 1.00 0.00 C ATOM 1356 O VAL A 86 -1.555 -7.730 6.331 1.00 0.00 O ATOM 1357 CB VAL A 86 -2.503 -5.547 4.283 1.00 0.00 C ATOM 1358 CG1 VAL A 86 -3.276 -6.503 3.388 1.00 0.00 C ATOM 1359 CG2 VAL A 86 -2.783 -4.102 3.901 1.00 0.00 C ATOM 0 H VAL A 86 -1.090 -5.305 6.793 1.00 0.00 H new ATOM 0 HA VAL A 86 -3.890 -5.509 5.935 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.439 -5.737 4.142 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.017 -6.316 2.346 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.020 -7.531 3.647 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.346 -6.349 3.529 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.531 -3.948 2.852 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -3.839 -3.883 4.057 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.179 -3.438 4.520 1.00 0.00 H new ATOM 1369 N PHE A 87 -3.771 -8.013 6.067 1.00 0.00 N ATOM 1370 CA PHE A 87 -3.733 -9.442 6.354 1.00 0.00 C ATOM 1371 C PHE A 87 -3.357 -10.237 5.107 1.00 0.00 C ATOM 1372 O PHE A 87 -4.057 -10.194 4.096 1.00 0.00 O ATOM 1373 CB PHE A 87 -5.090 -9.914 6.883 1.00 0.00 C ATOM 1374 CG PHE A 87 -4.993 -11.079 7.826 1.00 0.00 C ATOM 1375 CD1 PHE A 87 -4.615 -12.330 7.366 1.00 0.00 C ATOM 1376 CD2 PHE A 87 -5.280 -10.922 9.172 1.00 0.00 C ATOM 1377 CE1 PHE A 87 -4.526 -13.404 8.232 1.00 0.00 C ATOM 1378 CE2 PHE A 87 -5.192 -11.993 10.043 1.00 0.00 C ATOM 1379 CZ PHE A 87 -4.814 -13.234 9.572 1.00 0.00 C ATOM 0 H PHE A 87 -4.701 -7.649 5.861 1.00 0.00 H new ATOM 0 HA PHE A 87 -2.973 -9.614 7.117 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.581 -9.085 7.392 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -5.723 -10.191 6.040 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.387 -12.468 6.319 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -5.576 -9.953 9.546 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -4.232 -14.375 7.861 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -5.419 -11.858 11.090 1.00 0.00 H new ATOM 0 HZ PHE A 87 -4.743 -14.071 10.251 1.00 0.00 H new