USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 738 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 20 ASN : amide:sc= -0.351 K(o=0.56,f=-2.1!) USER MOD Set 1.2: A 22 ASN :FLIP amide:sc= 0.153 F(o=-0.86,f=0.56) USER MOD Set 1.3: A 23 SER OG : rot 180:sc= 0.523 USER MOD Set 1.4: A 63 SER OG : rot 180:sc= -0.156 USER MOD Set 1.5: A 74 THR OG1 : rot -75:sc= 0.395 USER MOD Single : A 14 GLN : amide:sc=-0.00632 K(o=-0.0063,f=-0.84) USER MOD Single : A 15 THR OG1 : rot 36:sc= 0.0576 USER MOD Single : A 16 GLN :FLIP amide:sc= 0 F(o=-0.68,f=0) USER MOD Single : A 18 THR OG1 : rot 92:sc= 0.745 USER MOD Single : A 25 LYS NZ :NH3+ 134:sc= -0.867 (180deg=-2.26!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -113:sc= -1.36 (180deg=-3.31!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0641 USER MOD Single : A 49 SER OG : rot 60:sc= 1.17 USER MOD Single : A 54 GLN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot -67:sc= 0.189 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 178:sc= 0.928 (180deg=0.924) USER MOD Single : A 77 ASN :FLIP amide:sc= -1.01 F(o=-2.6!,f=-1) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 76:sc= 0.651 USER MOD Single : A 94 MET CE :methyl 177:sc= -0.336 (180deg=-0.344) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot -78:sc= 0.774 USER MOD ----------------------------------------------------------------- ATOM 201 N ILE A 13 0.145 -4.776 12.039 1.00 31.12 N ATOM 202 CA ILE A 13 0.842 -4.079 10.951 1.00 41.34 C ATOM 203 C ILE A 13 1.655 -2.933 11.561 1.00 52.32 C ATOM 204 O ILE A 13 1.093 -2.100 12.283 1.00 22.20 O ATOM 205 CB ILE A 13 -0.183 -3.516 9.885 1.00 72.54 C ATOM 206 CG1 ILE A 13 -1.103 -4.665 9.353 1.00 31.24 C ATOM 207 CG2 ILE A 13 0.544 -2.794 8.716 1.00 55.14 C ATOM 208 CD1 ILE A 13 -2.268 -4.210 8.483 1.00 72.31 C ATOM 0 HA ILE A 13 1.499 -4.778 10.434 1.00 41.34 H new ATOM 0 HB ILE A 13 -0.809 -2.774 10.381 1.00 72.54 H new ATOM 0 HG12 ILE A 13 -0.492 -5.362 8.780 1.00 31.24 H new ATOM 0 HG13 ILE A 13 -1.500 -5.216 10.206 1.00 31.24 H new ATOM 0 HG21 ILE A 13 -0.193 -2.421 8.004 1.00 55.14 H new ATOM 0 HG22 ILE A 13 1.124 -1.959 9.109 1.00 55.14 H new ATOM 0 HG23 ILE A 13 1.211 -3.495 8.214 1.00 55.14 H new ATOM 0 HD11 ILE A 13 -2.845 -5.078 8.164 1.00 72.31 H new ATOM 0 HD12 ILE A 13 -2.909 -3.538 9.055 1.00 72.31 H new ATOM 0 HD13 ILE A 13 -1.885 -3.687 7.606 1.00 72.31 H new ATOM 220 N GLN A 14 2.971 -2.896 11.295 1.00 2.44 N ATOM 221 CA GLN A 14 3.855 -1.836 11.822 1.00 71.23 C ATOM 222 C GLN A 14 4.115 -0.793 10.722 1.00 15.11 C ATOM 223 O GLN A 14 4.179 -1.130 9.532 1.00 55.02 O ATOM 224 CB GLN A 14 5.203 -2.416 12.354 1.00 40.24 C ATOM 225 CG GLN A 14 6.042 -3.172 11.305 1.00 41.24 C ATOM 226 CD GLN A 14 7.495 -3.426 11.724 1.00 21.21 C ATOM 227 OE1 GLN A 14 8.086 -2.644 12.470 1.00 32.35 O ATOM 228 NE2 GLN A 14 8.087 -4.511 11.239 1.00 31.40 N ATOM 0 H GLN A 14 3.449 -3.588 10.718 1.00 2.44 H new ATOM 0 HA GLN A 14 3.354 -1.362 12.666 1.00 71.23 H new ATOM 0 HB2 GLN A 14 5.801 -1.598 12.755 1.00 40.24 H new ATOM 0 HB3 GLN A 14 4.990 -3.091 13.183 1.00 40.24 H new ATOM 0 HG2 GLN A 14 5.564 -4.129 11.095 1.00 41.24 H new ATOM 0 HG3 GLN A 14 6.038 -2.603 10.375 1.00 41.24 H new ATOM 0 HE21 GLN A 14 7.572 -5.141 10.623 1.00 31.40 H new ATOM 0 HE22 GLN A 14 9.056 -4.715 11.482 1.00 31.40 H new ATOM 237 N THR A 15 4.232 0.471 11.134 1.00 60.43 N ATOM 238 CA THR A 15 4.604 1.583 10.259 1.00 74.55 C ATOM 239 C THR A 15 6.089 1.916 10.499 1.00 0.32 C ATOM 240 O THR A 15 6.511 2.112 11.645 1.00 55.14 O ATOM 241 CB THR A 15 3.690 2.824 10.521 1.00 62.34 C ATOM 242 OG1 THR A 15 3.668 3.138 11.921 1.00 44.24 O ATOM 243 CG2 THR A 15 2.246 2.593 10.034 1.00 70.42 C ATOM 0 H THR A 15 4.068 0.754 12.100 1.00 60.43 H new ATOM 0 HA THR A 15 4.463 1.300 9.216 1.00 74.55 H new ATOM 0 HB THR A 15 4.112 3.656 9.956 1.00 62.34 H new ATOM 0 HG1 THR A 15 4.549 2.957 12.311 1.00 44.24 H new ATOM 0 HG21 THR A 15 1.647 3.481 10.237 1.00 70.42 H new ATOM 0 HG22 THR A 15 2.251 2.395 8.962 1.00 70.42 H new ATOM 0 HG23 THR A 15 1.817 1.739 10.559 1.00 70.42 H new ATOM 251 N GLN A 16 6.883 1.939 9.420 1.00 44.03 N ATOM 252 CA GLN A 16 8.342 2.106 9.494 1.00 43.35 C ATOM 253 C GLN A 16 8.792 3.286 8.610 1.00 62.14 C ATOM 254 O GLN A 16 8.122 3.629 7.624 1.00 61.14 O ATOM 255 CB GLN A 16 9.021 0.775 9.083 1.00 11.33 C ATOM 256 CG GLN A 16 10.559 0.735 9.223 1.00 15.51 C ATOM 257 CD GLN A 16 11.180 -0.633 8.906 1.00 72.21 C ATOM 258 OE1 GLN A 16 10.491 -1.718 9.243 1.00 12.11 O flip ATOM 259 NE2 GLN A 16 12.295 -0.714 8.394 1.00 3.43 N flip ATOM 0 H GLN A 16 6.531 1.842 8.468 1.00 44.03 H new ATOM 0 HA GLN A 16 8.643 2.344 10.514 1.00 43.35 H new ATOM 0 HB2 GLN A 16 8.599 -0.028 9.687 1.00 11.33 H new ATOM 0 HB3 GLN A 16 8.764 0.563 8.045 1.00 11.33 H new ATOM 0 HG2 GLN A 16 10.993 1.482 8.559 1.00 15.51 H new ATOM 0 HG3 GLN A 16 10.828 1.018 10.241 1.00 15.51 H new ATOM 0 HE21 GLN A 16 12.804 0.134 8.144 1.00 3.43 H new ATOM 0 HE22 GLN A 16 12.711 -1.629 8.219 1.00 3.43 H new ATOM 268 N ASP A 17 9.941 3.882 8.981 1.00 53.21 N ATOM 269 CA ASP A 17 10.488 5.107 8.369 1.00 52.11 C ATOM 270 C ASP A 17 10.836 4.923 6.879 1.00 52.00 C ATOM 271 O ASP A 17 11.304 3.857 6.457 1.00 21.11 O ATOM 272 CB ASP A 17 11.756 5.572 9.145 1.00 34.45 C ATOM 273 CG ASP A 17 12.913 4.541 9.101 1.00 1.54 C ATOM 274 OD1 ASP A 17 12.835 3.522 9.819 1.00 62.13 O ATOM 275 OD2 ASP A 17 13.885 4.728 8.338 1.00 65.24 O ATOM 0 H ASP A 17 10.528 3.517 9.731 1.00 53.21 H new ATOM 0 HA ASP A 17 9.709 5.866 8.431 1.00 52.11 H new ATOM 0 HB2 ASP A 17 12.104 6.516 8.727 1.00 34.45 H new ATOM 0 HB3 ASP A 17 11.488 5.763 10.184 1.00 34.45 H new ATOM 280 N THR A 18 10.530 5.962 6.103 1.00 22.21 N ATOM 281 CA THR A 18 10.969 6.131 4.711 1.00 33.00 C ATOM 282 C THR A 18 11.664 7.516 4.567 1.00 33.44 C ATOM 283 O THR A 18 11.233 8.470 5.229 1.00 2.21 O ATOM 284 CB THR A 18 9.736 6.032 3.744 1.00 53.22 C ATOM 285 OG1 THR A 18 8.718 6.930 4.191 1.00 21.50 O ATOM 286 CG2 THR A 18 9.143 4.611 3.676 1.00 62.14 C ATOM 0 H THR A 18 9.952 6.735 6.432 1.00 22.21 H new ATOM 0 HA THR A 18 11.674 5.343 4.447 1.00 33.00 H new ATOM 0 HB THR A 18 10.088 6.292 2.746 1.00 53.22 H new ATOM 0 HG1 THR A 18 8.830 7.797 3.749 1.00 21.50 H new ATOM 0 HG21 THR A 18 8.294 4.603 2.993 1.00 62.14 H new ATOM 0 HG22 THR A 18 9.903 3.916 3.318 1.00 62.14 H new ATOM 0 HG23 THR A 18 8.812 4.307 4.669 1.00 62.14 H new ATOM 294 N PRO A 19 12.761 7.645 3.726 1.00 13.05 N ATOM 295 CA PRO A 19 13.453 8.948 3.458 1.00 35.34 C ATOM 296 C PRO A 19 12.484 10.090 3.073 1.00 11.31 C ATOM 297 O PRO A 19 12.631 11.233 3.529 1.00 21.02 O ATOM 298 CB PRO A 19 14.396 8.606 2.275 1.00 71.13 C ATOM 299 CG PRO A 19 14.703 7.148 2.457 1.00 55.15 C ATOM 300 CD PRO A 19 13.428 6.528 2.999 1.00 44.43 C ATOM 0 HA PRO A 19 13.964 9.322 4.345 1.00 35.34 H new ATOM 0 HB2 PRO A 19 13.915 8.795 1.315 1.00 71.13 H new ATOM 0 HB3 PRO A 19 15.303 9.210 2.301 1.00 71.13 H new ATOM 0 HG2 PRO A 19 14.992 6.687 1.512 1.00 55.15 H new ATOM 0 HG3 PRO A 19 15.533 7.005 3.149 1.00 55.15 H new ATOM 0 HD2 PRO A 19 12.799 6.143 2.196 1.00 44.43 H new ATOM 0 HD3 PRO A 19 13.643 5.692 3.664 1.00 44.43 H new ATOM 308 N ASN A 20 11.490 9.750 2.240 1.00 35.45 N ATOM 309 CA ASN A 20 10.422 10.674 1.832 1.00 64.42 C ATOM 310 C ASN A 20 9.292 10.658 2.895 1.00 61.42 C ATOM 311 O ASN A 20 8.689 9.608 3.117 1.00 51.54 O ATOM 312 CB ASN A 20 9.874 10.263 0.437 1.00 62.25 C ATOM 313 CG ASN A 20 8.680 11.100 -0.038 1.00 34.34 C ATOM 314 OD1 ASN A 20 8.566 12.284 0.273 1.00 53.42 O ATOM 315 ND2 ASN A 20 7.779 10.496 -0.790 1.00 51.02 N ATOM 0 H ASN A 20 11.404 8.821 1.828 1.00 35.45 H new ATOM 0 HA ASN A 20 10.819 11.686 1.759 1.00 64.42 H new ATOM 0 HB2 ASN A 20 10.677 10.346 -0.296 1.00 62.25 H new ATOM 0 HB3 ASN A 20 9.579 9.214 0.469 1.00 62.25 H new ATOM 0 HD21 ASN A 20 6.966 11.013 -1.126 1.00 51.02 H new ATOM 0 HD22 ASN A 20 7.895 9.513 -1.035 1.00 51.02 H new ATOM 322 N PRO A 21 8.981 11.824 3.563 1.00 52.41 N ATOM 323 CA PRO A 21 7.889 11.903 4.578 1.00 30.31 C ATOM 324 C PRO A 21 6.482 11.743 3.953 1.00 21.52 C ATOM 325 O PRO A 21 5.520 11.383 4.646 1.00 3.34 O ATOM 326 CB PRO A 21 8.092 13.308 5.201 1.00 32.32 C ATOM 327 CG PRO A 21 8.742 14.111 4.113 1.00 41.24 C ATOM 328 CD PRO A 21 9.669 13.143 3.402 1.00 33.12 C ATOM 0 HA PRO A 21 7.939 11.097 5.310 1.00 30.31 H new ATOM 0 HB2 PRO A 21 7.142 13.748 5.506 1.00 32.32 H new ATOM 0 HB3 PRO A 21 8.721 13.261 6.090 1.00 32.32 H new ATOM 0 HG2 PRO A 21 7.999 14.519 3.428 1.00 41.24 H new ATOM 0 HG3 PRO A 21 9.295 14.956 4.524 1.00 41.24 H new ATOM 0 HD2 PRO A 21 9.795 13.405 2.352 1.00 33.12 H new ATOM 0 HD3 PRO A 21 10.663 13.135 3.850 1.00 33.12 H new ATOM 336 N ASN A 22 6.379 11.998 2.629 1.00 20.10 N ATOM 337 CA ASN A 22 5.123 11.831 1.856 1.00 64.45 C ATOM 338 C ASN A 22 4.828 10.344 1.586 1.00 1.22 C ATOM 339 O ASN A 22 3.760 10.005 1.096 1.00 11.44 O ATOM 340 CB ASN A 22 5.199 12.613 0.522 1.00 22.14 C ATOM 341 CG ASN A 22 5.380 14.113 0.741 1.00 32.13 C ATOM 342 OD1 ASN A 22 4.287 14.861 0.782 1.00 40.41 O flip ATOM 343 ND2 ASN A 22 6.500 14.595 0.875 1.00 43.23 N flip ATOM 0 H ASN A 22 7.163 12.325 2.065 1.00 20.10 H new ATOM 0 HA ASN A 22 4.307 12.235 2.455 1.00 64.45 H new ATOM 0 HB2 ASN A 22 6.029 12.232 -0.073 1.00 22.14 H new ATOM 0 HB3 ASN A 22 4.289 12.439 -0.051 1.00 22.14 H new ATOM 0 HD21 ASN A 22 7.322 13.992 0.839 1.00 43.23 H new ATOM 0 HD22 ASN A 22 6.609 15.598 1.023 1.00 43.23 H new ATOM 350 N SER A 23 5.792 9.480 1.913 1.00 72.22 N ATOM 351 CA SER A 23 5.645 8.020 1.845 1.00 63.13 C ATOM 352 C SER A 23 5.705 7.433 3.262 1.00 44.13 C ATOM 353 O SER A 23 6.204 8.082 4.194 1.00 65.14 O ATOM 354 CB SER A 23 6.737 7.416 0.944 1.00 32.32 C ATOM 355 OG SER A 23 6.617 7.905 -0.378 1.00 73.23 O ATOM 0 H SER A 23 6.712 9.778 2.238 1.00 72.22 H new ATOM 0 HA SER A 23 4.678 7.770 1.408 1.00 63.13 H new ATOM 0 HB2 SER A 23 7.722 7.663 1.341 1.00 32.32 H new ATOM 0 HB3 SER A 23 6.657 6.329 0.944 1.00 32.32 H new ATOM 0 HG SER A 23 7.320 7.512 -0.937 1.00 73.23 H new ATOM 361 N LEU A 24 5.119 6.244 3.426 1.00 60.32 N ATOM 362 CA LEU A 24 5.191 5.468 4.677 1.00 60.10 C ATOM 363 C LEU A 24 5.184 3.969 4.367 1.00 64.41 C ATOM 364 O LEU A 24 4.447 3.511 3.488 1.00 53.42 O ATOM 365 CB LEU A 24 4.008 5.849 5.604 1.00 62.34 C ATOM 366 CG LEU A 24 3.916 5.119 6.982 1.00 52.22 C ATOM 367 CD1 LEU A 24 5.218 5.262 7.790 1.00 23.32 C ATOM 368 CD2 LEU A 24 2.705 5.634 7.776 1.00 20.05 C ATOM 0 H LEU A 24 4.577 5.786 2.693 1.00 60.32 H new ATOM 0 HA LEU A 24 6.121 5.704 5.194 1.00 60.10 H new ATOM 0 HB2 LEU A 24 4.059 6.921 5.793 1.00 62.34 H new ATOM 0 HB3 LEU A 24 3.081 5.664 5.061 1.00 62.34 H new ATOM 0 HG LEU A 24 3.777 4.055 6.792 1.00 52.22 H new ATOM 0 HD11 LEU A 24 5.115 4.741 8.742 1.00 23.32 H new ATOM 0 HD12 LEU A 24 6.045 4.829 7.227 1.00 23.32 H new ATOM 0 HD13 LEU A 24 5.418 6.318 7.974 1.00 23.32 H new ATOM 0 HD21 LEU A 24 2.652 5.117 8.734 1.00 20.05 H new ATOM 0 HD22 LEU A 24 2.811 6.705 7.947 1.00 20.05 H new ATOM 0 HD23 LEU A 24 1.792 5.445 7.211 1.00 20.05 H new ATOM 380 N LYS A 25 6.006 3.217 5.109 1.00 2.40 N ATOM 381 CA LYS A 25 6.173 1.772 4.935 1.00 40.33 C ATOM 382 C LYS A 25 5.219 1.008 5.886 1.00 53.13 C ATOM 383 O LYS A 25 5.239 1.239 7.093 1.00 31.12 O ATOM 384 CB LYS A 25 7.658 1.415 5.221 1.00 64.32 C ATOM 385 CG LYS A 25 8.040 -0.055 4.977 1.00 33.11 C ATOM 386 CD LYS A 25 9.494 -0.419 5.405 1.00 50.50 C ATOM 387 CE LYS A 25 10.605 0.147 4.490 1.00 53.42 C ATOM 388 NZ LYS A 25 10.764 1.624 4.597 1.00 62.44 N ATOM 0 H LYS A 25 6.582 3.603 5.858 1.00 2.40 H new ATOM 0 HA LYS A 25 5.922 1.479 3.915 1.00 40.33 H new ATOM 0 HB2 LYS A 25 8.292 2.046 4.599 1.00 64.32 H new ATOM 0 HB3 LYS A 25 7.881 1.664 6.259 1.00 64.32 H new ATOM 0 HG2 LYS A 25 7.343 -0.694 5.519 1.00 33.11 H new ATOM 0 HG3 LYS A 25 7.919 -0.279 3.917 1.00 33.11 H new ATOM 0 HD2 LYS A 25 9.660 -0.056 6.419 1.00 50.50 H new ATOM 0 HD3 LYS A 25 9.587 -1.505 5.435 1.00 50.50 H new ATOM 0 HE2 LYS A 25 11.551 -0.332 4.741 1.00 53.42 H new ATOM 0 HE3 LYS A 25 10.381 -0.113 3.455 1.00 53.42 H new ATOM 0 HZ1 LYS A 25 11.774 1.859 4.679 1.00 62.44 H new ATOM 0 HZ2 LYS A 25 10.371 2.078 3.748 1.00 62.44 H new ATOM 0 HZ3 LYS A 25 10.259 1.967 5.439 1.00 62.44 H new ATOM 402 N PHE A 26 4.376 0.120 5.331 1.00 74.31 N ATOM 403 CA PHE A 26 3.438 -0.725 6.101 1.00 4.20 C ATOM 404 C PHE A 26 3.862 -2.201 5.977 1.00 21.25 C ATOM 405 O PHE A 26 3.740 -2.788 4.900 1.00 75.34 O ATOM 406 CB PHE A 26 1.983 -0.544 5.568 1.00 10.02 C ATOM 407 CG PHE A 26 1.396 0.859 5.766 1.00 22.21 C ATOM 408 CD1 PHE A 26 1.642 1.885 4.846 1.00 62.32 C ATOM 409 CD2 PHE A 26 0.589 1.147 6.872 1.00 12.25 C ATOM 410 CE1 PHE A 26 1.108 3.148 5.032 1.00 12.43 C ATOM 411 CE2 PHE A 26 0.056 2.411 7.053 1.00 63.43 C ATOM 412 CZ PHE A 26 0.314 3.409 6.133 1.00 43.54 C ATOM 0 H PHE A 26 4.324 -0.035 4.324 1.00 74.31 H new ATOM 0 HA PHE A 26 3.464 -0.424 7.148 1.00 4.20 H new ATOM 0 HB2 PHE A 26 1.968 -0.782 4.504 1.00 10.02 H new ATOM 0 HB3 PHE A 26 1.336 -1.267 6.065 1.00 10.02 H new ATOM 0 HD1 PHE A 26 2.256 1.688 3.980 1.00 62.32 H new ATOM 0 HD2 PHE A 26 0.379 0.372 7.594 1.00 12.25 H new ATOM 0 HE1 PHE A 26 1.312 3.931 4.316 1.00 12.43 H new ATOM 0 HE2 PHE A 26 -0.562 2.618 7.914 1.00 63.43 H new ATOM 0 HZ PHE A 26 -0.105 4.394 6.274 1.00 43.54 H new ATOM 422 N ILE A 27 4.386 -2.792 7.066 1.00 73.21 N ATOM 423 CA ILE A 27 4.740 -4.226 7.109 1.00 23.32 C ATOM 424 C ILE A 27 3.531 -4.980 7.699 1.00 64.52 C ATOM 425 O ILE A 27 3.235 -4.797 8.885 1.00 2.11 O ATOM 426 CB ILE A 27 6.023 -4.543 7.990 1.00 12.31 C ATOM 427 CG1 ILE A 27 7.311 -3.787 7.504 1.00 72.12 C ATOM 428 CG2 ILE A 27 6.293 -6.069 8.052 1.00 2.41 C ATOM 429 CD1 ILE A 27 7.362 -2.305 7.829 1.00 14.55 C ATOM 0 H ILE A 27 4.576 -2.295 7.936 1.00 73.21 H new ATOM 0 HA ILE A 27 4.981 -4.541 6.094 1.00 23.32 H new ATOM 0 HB ILE A 27 5.797 -4.175 8.991 1.00 12.31 H new ATOM 0 HG12 ILE A 27 8.183 -4.268 7.948 1.00 72.12 H new ATOM 0 HG13 ILE A 27 7.396 -3.907 6.424 1.00 72.12 H new ATOM 0 HG21 ILE A 27 7.177 -6.258 8.661 1.00 2.41 H new ATOM 0 HG22 ILE A 27 5.433 -6.573 8.494 1.00 2.41 H new ATOM 0 HG23 ILE A 27 6.459 -6.450 7.044 1.00 2.41 H new ATOM 0 HD11 ILE A 27 8.292 -1.881 7.449 1.00 14.55 H new ATOM 0 HD12 ILE A 27 6.516 -1.801 7.362 1.00 14.55 H new ATOM 0 HD13 ILE A 27 7.315 -2.168 8.909 1.00 14.55 H new ATOM 441 N PRO A 28 2.810 -5.833 6.902 1.00 52.52 N ATOM 442 CA PRO A 28 1.610 -6.557 7.388 1.00 41.35 C ATOM 443 C PRO A 28 1.932 -7.904 8.078 1.00 41.15 C ATOM 444 O PRO A 28 1.039 -8.727 8.285 1.00 10.23 O ATOM 445 CB PRO A 28 0.816 -6.749 6.078 1.00 4.15 C ATOM 446 CG PRO A 28 1.866 -6.953 5.019 1.00 62.54 C ATOM 447 CD PRO A 28 3.088 -6.150 5.465 1.00 54.12 C ATOM 0 HA PRO A 28 1.073 -6.016 8.167 1.00 41.35 H new ATOM 0 HB2 PRO A 28 0.147 -7.607 6.143 1.00 4.15 H new ATOM 0 HB3 PRO A 28 0.197 -5.879 5.859 1.00 4.15 H new ATOM 0 HG2 PRO A 28 2.112 -8.010 4.914 1.00 62.54 H new ATOM 0 HG3 PRO A 28 1.510 -6.611 4.047 1.00 62.54 H new ATOM 0 HD2 PRO A 28 4.006 -6.727 5.354 1.00 54.12 H new ATOM 0 HD3 PRO A 28 3.207 -5.243 4.872 1.00 54.12 H new ATOM 455 N GLY A 29 3.213 -8.110 8.428 1.00 21.32 N ATOM 456 CA GLY A 29 3.680 -9.358 9.048 1.00 24.42 C ATOM 457 C GLY A 29 4.136 -10.378 8.007 1.00 35.34 C ATOM 458 O GLY A 29 5.133 -11.086 8.209 1.00 3.44 O ATOM 0 H GLY A 29 3.950 -7.418 8.289 1.00 21.32 H new ATOM 0 HA2 GLY A 29 4.504 -9.139 9.727 1.00 24.42 H new ATOM 0 HA3 GLY A 29 2.878 -9.787 9.649 1.00 24.42 H new ATOM 462 N LYS A 30 3.387 -10.462 6.896 1.00 44.51 N ATOM 463 CA LYS A 30 3.729 -11.307 5.742 1.00 64.35 C ATOM 464 C LYS A 30 4.549 -10.505 4.705 1.00 12.11 C ATOM 465 O LYS A 30 4.201 -9.353 4.406 1.00 23.43 O ATOM 466 CB LYS A 30 2.439 -11.860 5.087 1.00 2.54 C ATOM 467 CG LYS A 30 1.627 -12.803 5.999 1.00 32.35 C ATOM 468 CD LYS A 30 0.419 -13.435 5.269 1.00 2.42 C ATOM 469 CE LYS A 30 -0.356 -14.419 6.151 1.00 21.43 C ATOM 470 NZ LYS A 30 -1.519 -15.011 5.438 1.00 1.42 N ATOM 0 H LYS A 30 2.519 -9.940 6.773 1.00 44.51 H new ATOM 0 HA LYS A 30 4.336 -12.142 6.092 1.00 64.35 H new ATOM 0 HB2 LYS A 30 1.806 -11.023 4.792 1.00 2.54 H new ATOM 0 HB3 LYS A 30 2.707 -12.394 4.176 1.00 2.54 H new ATOM 0 HG2 LYS A 30 2.278 -13.594 6.370 1.00 32.35 H new ATOM 0 HG3 LYS A 30 1.273 -12.248 6.868 1.00 32.35 H new ATOM 0 HD2 LYS A 30 -0.253 -12.644 4.936 1.00 2.42 H new ATOM 0 HD3 LYS A 30 0.769 -13.952 4.376 1.00 2.42 H new ATOM 0 HE2 LYS A 30 0.312 -15.216 6.479 1.00 21.43 H new ATOM 0 HE3 LYS A 30 -0.704 -13.906 7.048 1.00 21.43 H new ATOM 0 HZ1 LYS A 30 -2.015 -15.671 6.071 1.00 1.42 H new ATOM 0 HZ2 LYS A 30 -2.170 -14.254 5.148 1.00 1.42 H new ATOM 0 HZ3 LYS A 30 -1.186 -15.523 4.596 1.00 1.42 H new ATOM 484 N PRO A 31 5.663 -11.092 4.155 1.00 44.13 N ATOM 485 CA PRO A 31 6.409 -10.479 3.038 1.00 62.50 C ATOM 486 C PRO A 31 5.580 -10.480 1.727 1.00 24.14 C ATOM 487 O PRO A 31 5.296 -11.539 1.158 1.00 24.43 O ATOM 488 CB PRO A 31 7.698 -11.341 2.943 1.00 73.03 C ATOM 489 CG PRO A 31 7.333 -12.667 3.548 1.00 63.04 C ATOM 490 CD PRO A 31 6.301 -12.364 4.615 1.00 12.44 C ATOM 0 HA PRO A 31 6.637 -9.426 3.201 1.00 62.50 H new ATOM 0 HB2 PRO A 31 8.019 -11.456 1.908 1.00 73.03 H new ATOM 0 HB3 PRO A 31 8.523 -10.876 3.483 1.00 73.03 H new ATOM 0 HG2 PRO A 31 6.929 -13.343 2.794 1.00 63.04 H new ATOM 0 HG3 PRO A 31 8.208 -13.155 3.978 1.00 63.04 H new ATOM 0 HD2 PRO A 31 5.570 -13.168 4.702 1.00 12.44 H new ATOM 0 HD3 PRO A 31 6.764 -12.246 5.595 1.00 12.44 H new ATOM 498 N VAL A 32 5.159 -9.277 1.286 1.00 44.10 N ATOM 499 CA VAL A 32 4.250 -9.115 0.137 1.00 31.33 C ATOM 500 C VAL A 32 4.955 -9.447 -1.203 1.00 71.53 C ATOM 501 O VAL A 32 4.448 -10.257 -1.986 1.00 11.02 O ATOM 502 CB VAL A 32 3.581 -7.681 0.122 1.00 44.24 C ATOM 503 CG1 VAL A 32 2.679 -7.487 1.367 1.00 5.42 C ATOM 504 CG2 VAL A 32 4.615 -6.536 0.017 1.00 21.52 C ATOM 0 H VAL A 32 5.439 -8.395 1.715 1.00 44.10 H new ATOM 0 HA VAL A 32 3.443 -9.839 0.254 1.00 31.33 H new ATOM 0 HB VAL A 32 2.966 -7.632 -0.777 1.00 44.24 H new ATOM 0 HG11 VAL A 32 2.228 -6.495 1.339 1.00 5.42 H new ATOM 0 HG12 VAL A 32 1.894 -8.243 1.369 1.00 5.42 H new ATOM 0 HG13 VAL A 32 3.280 -7.586 2.271 1.00 5.42 H new ATOM 0 HG21 VAL A 32 4.097 -5.577 0.011 1.00 21.52 H new ATOM 0 HG22 VAL A 32 5.292 -6.578 0.870 1.00 21.52 H new ATOM 0 HG23 VAL A 32 5.186 -6.645 -0.905 1.00 21.52 H new ATOM 514 N LEU A 33 6.127 -8.829 -1.444 1.00 72.33 N ATOM 515 CA LEU A 33 7.008 -9.134 -2.582 1.00 52.24 C ATOM 516 C LEU A 33 8.453 -9.108 -2.063 1.00 0.10 C ATOM 517 O LEU A 33 9.065 -8.050 -2.005 1.00 0.53 O ATOM 518 CB LEU A 33 6.868 -8.101 -3.749 1.00 54.44 C ATOM 519 CG LEU A 33 5.503 -7.986 -4.494 1.00 70.01 C ATOM 520 CD1 LEU A 33 5.597 -6.945 -5.615 1.00 70.20 C ATOM 521 CD2 LEU A 33 5.019 -9.339 -5.054 1.00 75.34 C ATOM 0 H LEU A 33 6.492 -8.091 -0.842 1.00 72.33 H new ATOM 0 HA LEU A 33 6.730 -10.108 -2.985 1.00 52.24 H new ATOM 0 HB2 LEU A 33 7.109 -7.116 -3.348 1.00 54.44 H new ATOM 0 HB3 LEU A 33 7.630 -8.338 -4.492 1.00 54.44 H new ATOM 0 HG LEU A 33 4.763 -7.663 -3.762 1.00 70.01 H new ATOM 0 HD11 LEU A 33 4.638 -6.874 -6.127 1.00 70.20 H new ATOM 0 HD12 LEU A 33 5.854 -5.975 -5.190 1.00 70.20 H new ATOM 0 HD13 LEU A 33 6.367 -7.245 -6.326 1.00 70.20 H new ATOM 0 HD21 LEU A 33 4.065 -9.202 -5.563 1.00 75.34 H new ATOM 0 HD22 LEU A 33 5.754 -9.725 -5.760 1.00 75.34 H new ATOM 0 HD23 LEU A 33 4.895 -10.048 -4.236 1.00 75.34 H new ATOM 533 N GLU A 34 8.966 -10.253 -1.636 1.00 30.35 N ATOM 534 CA GLU A 34 10.365 -10.389 -1.160 1.00 53.22 C ATOM 535 C GLU A 34 11.253 -10.984 -2.275 1.00 24.12 C ATOM 536 O GLU A 34 12.460 -10.721 -2.321 1.00 43.50 O ATOM 537 CB GLU A 34 10.418 -11.250 0.143 1.00 21.22 C ATOM 538 CG GLU A 34 10.138 -12.770 -0.010 1.00 51.21 C ATOM 539 CD GLU A 34 8.748 -13.106 -0.590 1.00 13.35 C ATOM 540 OE1 GLU A 34 7.757 -13.069 0.149 1.00 42.23 O ATOM 541 OE2 GLU A 34 8.638 -13.375 -1.801 1.00 55.33 O ATOM 0 H GLU A 34 8.436 -11.124 -1.604 1.00 30.35 H new ATOM 0 HA GLU A 34 10.756 -9.401 -0.916 1.00 53.22 H new ATOM 0 HB2 GLU A 34 11.405 -11.130 0.590 1.00 21.22 H new ATOM 0 HB3 GLU A 34 9.696 -10.841 0.850 1.00 21.22 H new ATOM 0 HG2 GLU A 34 10.902 -13.205 -0.654 1.00 51.21 H new ATOM 0 HG3 GLU A 34 10.236 -13.245 0.966 1.00 51.21 H new ATOM 548 N THR A 35 10.614 -11.769 -3.173 1.00 33.31 N ATOM 549 CA THR A 35 11.271 -12.417 -4.326 1.00 71.34 C ATOM 550 C THR A 35 11.474 -11.413 -5.485 1.00 62.13 C ATOM 551 O THR A 35 12.334 -11.610 -6.353 1.00 61.24 O ATOM 552 CB THR A 35 10.440 -13.666 -4.812 1.00 64.32 C ATOM 553 OG1 THR A 35 11.137 -14.366 -5.861 1.00 34.21 O ATOM 554 CG2 THR A 35 9.020 -13.289 -5.298 1.00 12.44 C ATOM 0 H THR A 35 9.616 -11.971 -3.114 1.00 33.31 H new ATOM 0 HA THR A 35 12.253 -12.763 -4.003 1.00 71.34 H new ATOM 0 HB THR A 35 10.330 -14.316 -3.944 1.00 64.32 H new ATOM 0 HG1 THR A 35 10.606 -15.138 -6.148 1.00 34.21 H new ATOM 0 HG21 THR A 35 8.495 -14.188 -5.620 1.00 12.44 H new ATOM 0 HG22 THR A 35 8.469 -12.820 -4.483 1.00 12.44 H new ATOM 0 HG23 THR A 35 9.094 -12.593 -6.134 1.00 12.44 H new ATOM 562 N ARG A 36 10.669 -10.338 -5.473 1.00 1.22 N ATOM 563 CA ARG A 36 10.725 -9.264 -6.478 1.00 53.31 C ATOM 564 C ARG A 36 10.305 -7.931 -5.834 1.00 21.03 C ATOM 565 O ARG A 36 10.005 -7.881 -4.643 1.00 63.05 O ATOM 566 CB ARG A 36 9.806 -9.594 -7.693 1.00 0.24 C ATOM 567 CG ARG A 36 8.291 -9.686 -7.367 1.00 50.30 C ATOM 568 CD ARG A 36 7.422 -9.911 -8.624 1.00 73.15 C ATOM 569 NE ARG A 36 7.691 -11.210 -9.277 1.00 71.21 N ATOM 570 CZ ARG A 36 8.275 -11.389 -10.480 1.00 5.23 C ATOM 571 NH1 ARG A 36 8.689 -10.347 -11.210 1.00 13.32 N ATOM 572 NH2 ARG A 36 8.434 -12.621 -10.940 1.00 22.33 N ATOM 0 H ARG A 36 9.955 -10.189 -4.760 1.00 1.22 H new ATOM 0 HA ARG A 36 11.748 -9.179 -6.844 1.00 53.31 H new ATOM 0 HB2 ARG A 36 9.952 -8.830 -8.457 1.00 0.24 H new ATOM 0 HB3 ARG A 36 10.127 -10.542 -8.125 1.00 0.24 H new ATOM 0 HG2 ARG A 36 8.124 -10.502 -6.664 1.00 50.30 H new ATOM 0 HG3 ARG A 36 7.974 -8.769 -6.871 1.00 50.30 H new ATOM 0 HD2 ARG A 36 6.369 -9.859 -8.347 1.00 73.15 H new ATOM 0 HD3 ARG A 36 7.604 -9.106 -9.336 1.00 73.15 H new ATOM 0 HE ARG A 36 7.409 -12.049 -8.771 1.00 71.21 H new ATOM 0 HH11 ARG A 36 8.565 -9.397 -10.859 1.00 13.32 H new ATOM 0 HH12 ARG A 36 9.128 -10.502 -12.117 1.00 13.32 H new ATOM 0 HH21 ARG A 36 8.117 -13.417 -10.387 1.00 22.33 H new ATOM 0 HH22 ARG A 36 8.874 -12.774 -11.848 1.00 22.33 H new ATOM 586 N THR A 37 10.319 -6.856 -6.628 1.00 32.22 N ATOM 587 CA THR A 37 9.768 -5.532 -6.261 1.00 53.42 C ATOM 588 C THR A 37 8.927 -5.035 -7.445 1.00 41.12 C ATOM 589 O THR A 37 9.314 -5.254 -8.601 1.00 41.14 O ATOM 590 CB THR A 37 10.902 -4.490 -5.951 1.00 74.20 C ATOM 591 OG1 THR A 37 11.779 -4.371 -7.083 1.00 41.23 O ATOM 592 CG2 THR A 37 11.730 -4.872 -4.713 1.00 32.25 C ATOM 0 H THR A 37 10.721 -6.874 -7.565 1.00 32.22 H new ATOM 0 HA THR A 37 9.167 -5.634 -5.357 1.00 53.42 H new ATOM 0 HB THR A 37 10.412 -3.539 -5.744 1.00 74.20 H new ATOM 0 HG1 THR A 37 12.483 -3.719 -6.884 1.00 41.23 H new ATOM 0 HG21 THR A 37 12.500 -4.119 -4.543 1.00 32.25 H new ATOM 0 HG22 THR A 37 11.078 -4.927 -3.842 1.00 32.25 H new ATOM 0 HG23 THR A 37 12.201 -5.842 -4.875 1.00 32.25 H new ATOM 600 N MET A 38 7.780 -4.380 -7.175 1.00 5.24 N ATOM 601 CA MET A 38 6.860 -3.905 -8.233 1.00 31.35 C ATOM 602 C MET A 38 6.229 -2.571 -7.801 1.00 54.42 C ATOM 603 O MET A 38 5.606 -2.484 -6.739 1.00 54.32 O ATOM 604 CB MET A 38 5.747 -4.959 -8.558 1.00 74.02 C ATOM 605 CG MET A 38 6.246 -6.245 -9.254 1.00 25.04 C ATOM 606 SD MET A 38 4.945 -7.469 -9.532 1.00 12.25 S ATOM 607 CE MET A 38 3.895 -6.629 -10.712 1.00 15.43 C ATOM 0 H MET A 38 7.466 -4.166 -6.228 1.00 5.24 H new ATOM 0 HA MET A 38 7.438 -3.759 -9.146 1.00 31.35 H new ATOM 0 HB2 MET A 38 5.249 -5.237 -7.629 1.00 74.02 H new ATOM 0 HB3 MET A 38 4.997 -4.488 -9.193 1.00 74.02 H new ATOM 0 HG2 MET A 38 6.694 -5.979 -10.212 1.00 25.04 H new ATOM 0 HG3 MET A 38 7.033 -6.694 -8.648 1.00 25.04 H new ATOM 0 HE1 MET A 38 2.934 -6.404 -10.249 1.00 15.43 H new ATOM 0 HE2 MET A 38 4.372 -5.701 -11.027 1.00 15.43 H new ATOM 0 HE3 MET A 38 3.738 -7.270 -11.580 1.00 15.43 H new ATOM 617 N ASP A 39 6.415 -1.549 -8.642 1.00 54.13 N ATOM 618 CA ASP A 39 5.844 -0.209 -8.450 1.00 1.33 C ATOM 619 C ASP A 39 4.566 -0.079 -9.289 1.00 4.24 C ATOM 620 O ASP A 39 4.512 -0.543 -10.432 1.00 31.05 O ATOM 621 CB ASP A 39 6.877 0.903 -8.815 1.00 1.11 C ATOM 622 CG ASP A 39 7.342 0.889 -10.283 1.00 65.22 C ATOM 623 OD1 ASP A 39 8.130 -0.007 -10.662 1.00 54.21 O ATOM 624 OD2 ASP A 39 6.923 1.771 -11.063 1.00 14.52 O ATOM 0 H ASP A 39 6.976 -1.629 -9.490 1.00 54.13 H new ATOM 0 HA ASP A 39 5.593 -0.076 -7.398 1.00 1.33 H new ATOM 0 HB2 ASP A 39 6.436 1.876 -8.596 1.00 1.11 H new ATOM 0 HB3 ASP A 39 7.749 0.796 -8.170 1.00 1.11 H new ATOM 629 N PHE A 40 3.536 0.525 -8.692 1.00 70.00 N ATOM 630 CA PHE A 40 2.265 0.868 -9.351 1.00 64.14 C ATOM 631 C PHE A 40 2.024 2.376 -9.141 1.00 71.35 C ATOM 632 O PHE A 40 1.300 2.773 -8.219 1.00 31.43 O ATOM 633 CB PHE A 40 1.090 0.011 -8.791 1.00 44.14 C ATOM 634 CG PHE A 40 1.230 -1.486 -9.076 1.00 23.13 C ATOM 635 CD1 PHE A 40 0.905 -1.999 -10.332 1.00 71.34 C ATOM 636 CD2 PHE A 40 1.698 -2.372 -8.106 1.00 61.11 C ATOM 637 CE1 PHE A 40 1.035 -3.343 -10.606 1.00 63.45 C ATOM 638 CE2 PHE A 40 1.831 -3.719 -8.386 1.00 61.35 C ATOM 639 CZ PHE A 40 1.498 -4.202 -9.633 1.00 23.43 C ATOM 0 H PHE A 40 3.560 0.798 -7.710 1.00 70.00 H new ATOM 0 HA PHE A 40 2.318 0.647 -10.417 1.00 64.14 H new ATOM 0 HB2 PHE A 40 1.023 0.162 -7.714 1.00 44.14 H new ATOM 0 HB3 PHE A 40 0.154 0.368 -9.222 1.00 44.14 H new ATOM 0 HD1 PHE A 40 0.546 -1.332 -11.102 1.00 71.34 H new ATOM 0 HD2 PHE A 40 1.959 -2.002 -7.126 1.00 61.11 H new ATOM 0 HE1 PHE A 40 0.774 -3.723 -11.583 1.00 63.45 H new ATOM 0 HE2 PHE A 40 2.196 -4.394 -7.626 1.00 61.35 H new ATOM 0 HZ PHE A 40 1.600 -5.255 -9.848 1.00 23.43 H new ATOM 649 N PRO A 41 2.688 3.252 -9.963 1.00 64.21 N ATOM 650 CA PRO A 41 2.629 4.720 -9.767 1.00 74.54 C ATOM 651 C PRO A 41 1.288 5.326 -10.227 1.00 51.41 C ATOM 652 O PRO A 41 0.890 6.401 -9.761 1.00 43.43 O ATOM 653 CB PRO A 41 3.817 5.218 -10.620 1.00 2.31 C ATOM 654 CG PRO A 41 3.942 4.223 -11.735 1.00 11.55 C ATOM 655 CD PRO A 41 3.531 2.884 -11.146 1.00 13.14 C ATOM 0 HA PRO A 41 2.694 5.013 -8.719 1.00 74.54 H new ATOM 0 HB2 PRO A 41 3.633 6.221 -11.005 1.00 2.31 H new ATOM 0 HB3 PRO A 41 4.733 5.267 -10.031 1.00 2.31 H new ATOM 0 HG2 PRO A 41 3.301 4.494 -12.574 1.00 11.55 H new ATOM 0 HG3 PRO A 41 4.964 4.186 -12.113 1.00 11.55 H new ATOM 0 HD2 PRO A 41 2.971 2.287 -11.865 1.00 13.14 H new ATOM 0 HD3 PRO A 41 4.399 2.295 -10.850 1.00 13.14 H new ATOM 663 N THR A 42 0.607 4.616 -11.139 1.00 54.14 N ATOM 664 CA THR A 42 -0.664 5.043 -11.729 1.00 23.01 C ATOM 665 C THR A 42 -1.768 4.028 -11.347 1.00 12.23 C ATOM 666 O THR A 42 -1.497 2.815 -11.311 1.00 54.53 O ATOM 667 CB THR A 42 -0.541 5.142 -13.296 1.00 12.21 C ATOM 668 OG1 THR A 42 -0.247 3.851 -13.854 1.00 3.43 O ATOM 669 CG2 THR A 42 0.553 6.135 -13.740 1.00 61.42 C ATOM 0 H THR A 42 0.932 3.715 -11.491 1.00 54.14 H new ATOM 0 HA THR A 42 -0.923 6.029 -11.344 1.00 23.01 H new ATOM 0 HB THR A 42 -1.501 5.507 -13.662 1.00 12.21 H new ATOM 0 HG1 THR A 42 -0.175 3.925 -14.829 1.00 3.43 H new ATOM 0 HG21 THR A 42 0.597 6.166 -14.829 1.00 61.42 H new ATOM 0 HG22 THR A 42 0.319 7.129 -13.358 1.00 61.42 H new ATOM 0 HG23 THR A 42 1.518 5.813 -13.347 1.00 61.42 H new ATOM 677 N PRO A 43 -3.031 4.489 -11.045 1.00 52.14 N ATOM 678 CA PRO A 43 -4.181 3.573 -10.808 1.00 23.32 C ATOM 679 C PRO A 43 -4.512 2.716 -12.051 1.00 22.10 C ATOM 680 O PRO A 43 -5.037 1.609 -11.921 1.00 25.24 O ATOM 681 CB PRO A 43 -5.348 4.532 -10.429 1.00 41.34 C ATOM 682 CG PRO A 43 -4.934 5.873 -10.964 1.00 5.00 C ATOM 683 CD PRO A 43 -3.421 5.912 -10.863 1.00 22.23 C ATOM 0 HA PRO A 43 -3.974 2.840 -10.028 1.00 23.32 H new ATOM 0 HB2 PRO A 43 -6.289 4.204 -10.871 1.00 41.34 H new ATOM 0 HB3 PRO A 43 -5.497 4.566 -9.350 1.00 41.34 H new ATOM 0 HG2 PRO A 43 -5.260 5.999 -11.996 1.00 5.00 H new ATOM 0 HG3 PRO A 43 -5.385 6.680 -10.387 1.00 5.00 H new ATOM 0 HD2 PRO A 43 -2.983 6.551 -11.630 1.00 22.23 H new ATOM 0 HD3 PRO A 43 -3.092 6.300 -9.899 1.00 22.23 H new ATOM 691 N ALA A 44 -4.154 3.233 -13.246 1.00 4.23 N ATOM 692 CA ALA A 44 -4.343 2.527 -14.522 1.00 42.32 C ATOM 693 C ALA A 44 -3.448 1.266 -14.604 1.00 62.12 C ATOM 694 O ALA A 44 -3.894 0.233 -15.102 1.00 45.44 O ATOM 695 CB ALA A 44 -4.084 3.476 -15.701 1.00 31.25 C ATOM 0 H ALA A 44 -3.726 4.153 -13.348 1.00 4.23 H new ATOM 0 HA ALA A 44 -5.378 2.191 -14.578 1.00 42.32 H new ATOM 0 HB1 ALA A 44 -4.228 2.939 -16.639 1.00 31.25 H new ATOM 0 HB2 ALA A 44 -4.779 4.314 -15.653 1.00 31.25 H new ATOM 0 HB3 ALA A 44 -3.061 3.849 -15.650 1.00 31.25 H new ATOM 701 N ALA A 45 -2.196 1.367 -14.093 1.00 0.42 N ATOM 702 CA ALA A 45 -1.239 0.233 -14.047 1.00 0.33 C ATOM 703 C ALA A 45 -1.528 -0.705 -12.860 1.00 33.22 C ATOM 704 O ALA A 45 -1.139 -1.882 -12.882 1.00 2.14 O ATOM 705 CB ALA A 45 0.207 0.755 -13.972 1.00 13.20 C ATOM 0 H ALA A 45 -1.822 2.232 -13.703 1.00 0.42 H new ATOM 0 HA ALA A 45 -1.364 -0.342 -14.965 1.00 0.33 H new ATOM 0 HB1 ALA A 45 0.897 -0.088 -13.939 1.00 13.20 H new ATOM 0 HB2 ALA A 45 0.420 1.364 -14.851 1.00 13.20 H new ATOM 0 HB3 ALA A 45 0.329 1.359 -13.073 1.00 13.20 H new ATOM 711 N ALA A 46 -2.234 -0.179 -11.838 1.00 33.14 N ATOM 712 CA ALA A 46 -2.542 -0.908 -10.591 1.00 55.15 C ATOM 713 C ALA A 46 -3.442 -2.145 -10.801 1.00 14.12 C ATOM 714 O ALA A 46 -3.505 -2.999 -9.912 1.00 23.53 O ATOM 715 CB ALA A 46 -3.180 0.047 -9.577 1.00 54.43 C ATOM 0 H ALA A 46 -2.609 0.770 -11.855 1.00 33.14 H new ATOM 0 HA ALA A 46 -1.594 -1.287 -10.209 1.00 55.15 H new ATOM 0 HB1 ALA A 46 -3.406 -0.495 -8.659 1.00 54.43 H new ATOM 0 HB2 ALA A 46 -2.488 0.860 -9.358 1.00 54.43 H new ATOM 0 HB3 ALA A 46 -4.101 0.456 -9.992 1.00 54.43 H new ATOM 721 N PHE A 47 -4.095 -2.240 -11.991 1.00 74.51 N ATOM 722 CA PHE A 47 -5.060 -3.319 -12.347 1.00 64.02 C ATOM 723 C PHE A 47 -4.526 -4.758 -12.101 1.00 23.23 C ATOM 724 O PHE A 47 -5.313 -5.705 -11.990 1.00 30.41 O ATOM 725 CB PHE A 47 -5.521 -3.171 -13.828 1.00 25.41 C ATOM 726 CG PHE A 47 -4.491 -3.592 -14.887 1.00 40.53 C ATOM 727 CD1 PHE A 47 -3.393 -2.786 -15.181 1.00 1.22 C ATOM 728 CD2 PHE A 47 -4.628 -4.790 -15.594 1.00 20.53 C ATOM 729 CE1 PHE A 47 -2.465 -3.160 -16.129 1.00 63.20 C ATOM 730 CE2 PHE A 47 -3.698 -5.162 -16.542 1.00 52.14 C ATOM 731 CZ PHE A 47 -2.620 -4.347 -16.811 1.00 4.20 C ATOM 0 H PHE A 47 -3.965 -1.561 -12.741 1.00 74.51 H new ATOM 0 HA PHE A 47 -5.907 -3.189 -11.673 1.00 64.02 H new ATOM 0 HB2 PHE A 47 -6.425 -3.764 -13.970 1.00 25.41 H new ATOM 0 HB3 PHE A 47 -5.792 -2.130 -14.004 1.00 25.41 H new ATOM 0 HD1 PHE A 47 -3.267 -1.851 -14.656 1.00 1.22 H new ATOM 0 HD2 PHE A 47 -5.473 -5.433 -15.395 1.00 20.53 H new ATOM 0 HE1 PHE A 47 -1.618 -2.524 -16.337 1.00 63.20 H new ATOM 0 HE2 PHE A 47 -3.815 -6.094 -17.075 1.00 52.14 H new ATOM 0 HZ PHE A 47 -1.896 -4.639 -17.557 1.00 4.20 H new ATOM 741 N ARG A 48 -3.190 -4.904 -12.040 1.00 0.35 N ATOM 742 CA ARG A 48 -2.530 -6.200 -11.842 1.00 63.23 C ATOM 743 C ARG A 48 -2.634 -6.652 -10.373 1.00 41.23 C ATOM 744 O ARG A 48 -3.012 -7.790 -10.089 1.00 54.21 O ATOM 745 CB ARG A 48 -1.049 -6.127 -12.291 1.00 64.30 C ATOM 746 CG ARG A 48 -0.820 -5.386 -13.631 1.00 20.40 C ATOM 747 CD ARG A 48 0.517 -5.747 -14.290 1.00 14.53 C ATOM 748 NE ARG A 48 0.501 -7.115 -14.814 1.00 72.22 N ATOM 749 CZ ARG A 48 1.573 -7.809 -15.204 1.00 54.12 C ATOM 750 NH1 ARG A 48 2.797 -7.286 -15.131 1.00 72.43 N ATOM 751 NH2 ARG A 48 1.407 -9.014 -15.704 1.00 43.15 N ATOM 0 H ARG A 48 -2.540 -4.123 -12.127 1.00 0.35 H new ATOM 0 HA ARG A 48 -3.041 -6.941 -12.457 1.00 63.23 H new ATOM 0 HB2 ARG A 48 -0.471 -5.630 -11.512 1.00 64.30 H new ATOM 0 HB3 ARG A 48 -0.659 -7.141 -12.380 1.00 64.30 H new ATOM 0 HG2 ARG A 48 -1.633 -5.625 -14.316 1.00 20.40 H new ATOM 0 HG3 ARG A 48 -0.855 -4.311 -13.457 1.00 20.40 H new ATOM 0 HD2 ARG A 48 0.726 -5.048 -15.100 1.00 14.53 H new ATOM 0 HD3 ARG A 48 1.323 -5.643 -13.563 1.00 14.53 H new ATOM 0 HE ARG A 48 -0.406 -7.576 -14.887 1.00 72.22 H new ATOM 0 HH11 ARG A 48 2.927 -6.340 -14.772 1.00 72.43 H new ATOM 0 HH12 ARG A 48 3.604 -7.832 -15.434 1.00 72.43 H new ATOM 0 HH21 ARG A 48 0.469 -9.406 -15.789 1.00 43.15 H new ATOM 0 HH22 ARG A 48 2.216 -9.557 -16.006 1.00 43.15 H new ATOM 765 N SER A 49 -2.289 -5.747 -9.443 1.00 34.43 N ATOM 766 CA SER A 49 -2.347 -6.015 -7.999 1.00 52.44 C ATOM 767 C SER A 49 -3.720 -5.597 -7.444 1.00 22.14 C ATOM 768 O SER A 49 -4.042 -4.403 -7.478 1.00 13.02 O ATOM 769 CB SER A 49 -1.219 -5.254 -7.270 1.00 34.03 C ATOM 770 OG SER A 49 -1.352 -5.333 -5.855 1.00 22.44 O ATOM 0 H SER A 49 -1.962 -4.809 -9.672 1.00 34.43 H new ATOM 0 HA SER A 49 -2.209 -7.083 -7.830 1.00 52.44 H new ATOM 0 HB2 SER A 49 -0.254 -5.664 -7.567 1.00 34.03 H new ATOM 0 HB3 SER A 49 -1.229 -4.208 -7.578 1.00 34.03 H new ATOM 0 HG SER A 49 -1.317 -6.272 -5.575 1.00 22.44 H new ATOM 776 N PRO A 50 -4.546 -6.555 -6.905 1.00 30.50 N ATOM 777 CA PRO A 50 -5.871 -6.226 -6.322 1.00 54.23 C ATOM 778 C PRO A 50 -5.742 -5.293 -5.097 1.00 74.12 C ATOM 779 O PRO A 50 -6.589 -4.418 -4.878 1.00 24.23 O ATOM 780 CB PRO A 50 -6.466 -7.605 -5.931 1.00 22.45 C ATOM 781 CG PRO A 50 -5.625 -8.627 -6.647 1.00 12.55 C ATOM 782 CD PRO A 50 -4.255 -8.010 -6.811 1.00 54.15 C ATOM 0 HA PRO A 50 -6.507 -5.683 -7.021 1.00 54.23 H new ATOM 0 HB2 PRO A 50 -6.431 -7.755 -4.852 1.00 22.45 H new ATOM 0 HB3 PRO A 50 -7.512 -7.679 -6.229 1.00 22.45 H new ATOM 0 HG2 PRO A 50 -5.568 -9.553 -6.075 1.00 12.55 H new ATOM 0 HG3 PRO A 50 -6.058 -8.877 -7.616 1.00 12.55 H new ATOM 0 HD2 PRO A 50 -3.607 -8.237 -5.964 1.00 54.15 H new ATOM 0 HD3 PRO A 50 -3.752 -8.379 -7.705 1.00 54.15 H new ATOM 790 N LEU A 51 -4.640 -5.474 -4.336 1.00 45.01 N ATOM 791 CA LEU A 51 -4.333 -4.655 -3.154 1.00 62.35 C ATOM 792 C LEU A 51 -4.056 -3.205 -3.568 1.00 31.42 C ATOM 793 O LEU A 51 -4.576 -2.274 -2.946 1.00 51.40 O ATOM 794 CB LEU A 51 -3.119 -5.237 -2.378 1.00 72.25 C ATOM 795 CG LEU A 51 -2.736 -4.508 -1.042 1.00 53.51 C ATOM 796 CD1 LEU A 51 -3.916 -4.463 -0.055 1.00 30.05 C ATOM 797 CD2 LEU A 51 -1.500 -5.155 -0.388 1.00 25.41 C ATOM 0 H LEU A 51 -3.942 -6.193 -4.528 1.00 45.01 H new ATOM 0 HA LEU A 51 -5.200 -4.671 -2.493 1.00 62.35 H new ATOM 0 HB2 LEU A 51 -3.327 -6.282 -2.150 1.00 72.25 H new ATOM 0 HB3 LEU A 51 -2.251 -5.221 -3.038 1.00 72.25 H new ATOM 0 HG LEU A 51 -2.485 -3.479 -1.300 1.00 53.51 H new ATOM 0 HD11 LEU A 51 -3.609 -3.950 0.856 1.00 30.05 H new ATOM 0 HD12 LEU A 51 -4.750 -3.928 -0.509 1.00 30.05 H new ATOM 0 HD13 LEU A 51 -4.226 -5.479 0.188 1.00 30.05 H new ATOM 0 HD21 LEU A 51 -1.259 -4.628 0.535 1.00 25.41 H new ATOM 0 HD22 LEU A 51 -1.712 -6.201 -0.165 1.00 25.41 H new ATOM 0 HD23 LEU A 51 -0.653 -5.095 -1.072 1.00 25.41 H new ATOM 809 N ALA A 52 -3.267 -3.036 -4.657 1.00 60.25 N ATOM 810 CA ALA A 52 -2.898 -1.702 -5.178 1.00 42.20 C ATOM 811 C ALA A 52 -4.150 -0.937 -5.635 1.00 22.23 C ATOM 812 O ALA A 52 -4.294 0.250 -5.335 1.00 34.13 O ATOM 813 CB ALA A 52 -1.886 -1.823 -6.327 1.00 62.11 C ATOM 0 H ALA A 52 -2.874 -3.811 -5.191 1.00 60.25 H new ATOM 0 HA ALA A 52 -2.427 -1.140 -4.372 1.00 42.20 H new ATOM 0 HB1 ALA A 52 -1.630 -0.829 -6.693 1.00 62.11 H new ATOM 0 HB2 ALA A 52 -0.985 -2.320 -5.967 1.00 62.11 H new ATOM 0 HB3 ALA A 52 -2.323 -2.406 -7.137 1.00 62.11 H new ATOM 819 N ARG A 53 -5.065 -1.657 -6.322 1.00 54.20 N ATOM 820 CA ARG A 53 -6.374 -1.128 -6.776 1.00 24.34 C ATOM 821 C ARG A 53 -7.193 -0.562 -5.596 1.00 74.32 C ATOM 822 O ARG A 53 -7.680 0.578 -5.654 1.00 51.15 O ATOM 823 CB ARG A 53 -7.186 -2.254 -7.483 1.00 51.31 C ATOM 824 CG ARG A 53 -6.529 -2.806 -8.765 1.00 30.11 C ATOM 825 CD ARG A 53 -7.196 -4.093 -9.293 1.00 10.31 C ATOM 826 NE ARG A 53 -8.573 -3.884 -9.771 1.00 73.00 N ATOM 827 CZ ARG A 53 -9.399 -4.859 -10.200 1.00 34.01 C ATOM 828 NH1 ARG A 53 -9.015 -6.144 -10.217 1.00 3.33 N ATOM 829 NH2 ARG A 53 -10.615 -4.542 -10.609 1.00 44.52 N ATOM 0 H ARG A 53 -4.915 -2.632 -6.580 1.00 54.20 H new ATOM 0 HA ARG A 53 -6.182 -0.317 -7.478 1.00 24.34 H new ATOM 0 HB2 ARG A 53 -7.331 -3.075 -6.781 1.00 51.31 H new ATOM 0 HB3 ARG A 53 -8.175 -1.870 -7.733 1.00 51.31 H new ATOM 0 HG2 ARG A 53 -6.567 -2.042 -9.541 1.00 30.11 H new ATOM 0 HG3 ARG A 53 -5.476 -3.007 -8.567 1.00 30.11 H new ATOM 0 HD2 ARG A 53 -6.594 -4.498 -10.107 1.00 10.31 H new ATOM 0 HD3 ARG A 53 -7.204 -4.841 -8.500 1.00 10.31 H new ATOM 0 HE ARG A 53 -8.929 -2.928 -9.778 1.00 73.00 H new ATOM 0 HH11 ARG A 53 -8.080 -6.401 -9.901 1.00 3.33 H new ATOM 0 HH12 ARG A 53 -9.658 -6.864 -10.546 1.00 3.33 H new ATOM 0 HH21 ARG A 53 -10.919 -3.568 -10.598 1.00 44.52 H new ATOM 0 HH22 ARG A 53 -11.249 -5.271 -10.936 1.00 44.52 H new ATOM 843 N GLN A 54 -7.291 -1.361 -4.515 1.00 52.40 N ATOM 844 CA GLN A 54 -8.060 -1.007 -3.307 1.00 61.20 C ATOM 845 C GLN A 54 -7.413 0.179 -2.545 1.00 62.45 C ATOM 846 O GLN A 54 -8.120 0.975 -1.916 1.00 72.10 O ATOM 847 CB GLN A 54 -8.182 -2.238 -2.375 1.00 50.31 C ATOM 848 CG GLN A 54 -8.961 -3.434 -2.957 1.00 2.51 C ATOM 849 CD GLN A 54 -9.024 -4.653 -2.017 1.00 35.21 C ATOM 850 OE1 GLN A 54 -7.970 -4.903 -1.243 1.00 62.25 O flip ATOM 851 NE2 GLN A 54 -10.012 -5.385 -2.005 1.00 41.33 N flip ATOM 0 H GLN A 54 -6.837 -2.273 -4.456 1.00 52.40 H new ATOM 0 HA GLN A 54 -9.055 -0.694 -3.624 1.00 61.20 H new ATOM 0 HB2 GLN A 54 -7.179 -2.573 -2.111 1.00 50.31 H new ATOM 0 HB3 GLN A 54 -8.667 -1.926 -1.450 1.00 50.31 H new ATOM 0 HG2 GLN A 54 -9.977 -3.115 -3.191 1.00 2.51 H new ATOM 0 HG3 GLN A 54 -8.497 -3.735 -3.896 1.00 2.51 H new ATOM 0 HE21 GLN A 54 -10.809 -5.176 -2.606 1.00 41.33 H new ATOM 0 HE22 GLN A 54 -10.034 -6.202 -1.394 1.00 41.33 H new ATOM 860 N LEU A 55 -6.071 0.284 -2.608 1.00 1.03 N ATOM 861 CA LEU A 55 -5.326 1.404 -1.995 1.00 60.32 C ATOM 862 C LEU A 55 -5.581 2.718 -2.770 1.00 31.52 C ATOM 863 O LEU A 55 -5.716 3.776 -2.164 1.00 2.01 O ATOM 864 CB LEU A 55 -3.807 1.077 -1.902 1.00 15.11 C ATOM 865 CG LEU A 55 -3.413 -0.041 -0.877 1.00 43.23 C ATOM 866 CD1 LEU A 55 -1.922 -0.424 -0.993 1.00 71.42 C ATOM 867 CD2 LEU A 55 -3.764 0.377 0.569 1.00 5.14 C ATOM 0 H LEU A 55 -5.477 -0.397 -3.080 1.00 1.03 H new ATOM 0 HA LEU A 55 -5.691 1.544 -0.978 1.00 60.32 H new ATOM 0 HB2 LEU A 55 -3.458 0.777 -2.890 1.00 15.11 H new ATOM 0 HB3 LEU A 55 -3.273 1.990 -1.638 1.00 15.11 H new ATOM 0 HG LEU A 55 -3.999 -0.926 -1.125 1.00 43.23 H new ATOM 0 HD11 LEU A 55 -1.688 -1.202 -0.266 1.00 71.42 H new ATOM 0 HD12 LEU A 55 -1.718 -0.794 -1.998 1.00 71.42 H new ATOM 0 HD13 LEU A 55 -1.305 0.453 -0.797 1.00 71.42 H new ATOM 0 HD21 LEU A 55 -3.479 -0.419 1.257 1.00 5.14 H new ATOM 0 HD22 LEU A 55 -3.225 1.289 0.825 1.00 5.14 H new ATOM 0 HD23 LEU A 55 -4.836 0.556 0.646 1.00 5.14 H new ATOM 879 N PHE A 56 -5.685 2.631 -4.113 1.00 22.12 N ATOM 880 CA PHE A 56 -6.056 3.785 -4.972 1.00 52.41 C ATOM 881 C PHE A 56 -7.549 4.178 -4.810 1.00 64.51 C ATOM 882 O PHE A 56 -7.956 5.265 -5.242 1.00 61.02 O ATOM 883 CB PHE A 56 -5.723 3.495 -6.468 1.00 1.42 C ATOM 884 CG PHE A 56 -4.246 3.675 -6.834 1.00 73.23 C ATOM 885 CD1 PHE A 56 -3.703 4.953 -6.955 1.00 62.31 C ATOM 886 CD2 PHE A 56 -3.411 2.586 -7.081 1.00 64.21 C ATOM 887 CE1 PHE A 56 -2.384 5.129 -7.311 1.00 2.23 C ATOM 888 CE2 PHE A 56 -2.089 2.769 -7.434 1.00 2.53 C ATOM 889 CZ PHE A 56 -1.578 4.039 -7.550 1.00 43.21 C ATOM 0 H PHE A 56 -5.517 1.769 -4.632 1.00 22.12 H new ATOM 0 HA PHE A 56 -5.459 4.635 -4.641 1.00 52.41 H new ATOM 0 HB2 PHE A 56 -6.021 2.473 -6.702 1.00 1.42 H new ATOM 0 HB3 PHE A 56 -6.323 4.154 -7.096 1.00 1.42 H new ATOM 0 HD1 PHE A 56 -4.324 5.816 -6.767 1.00 62.31 H new ATOM 0 HD2 PHE A 56 -3.805 1.584 -6.995 1.00 64.21 H new ATOM 0 HE1 PHE A 56 -1.980 6.127 -7.403 1.00 2.23 H new ATOM 0 HE2 PHE A 56 -1.456 1.914 -7.619 1.00 2.53 H new ATOM 0 HZ PHE A 56 -0.544 4.182 -7.829 1.00 43.21 H new ATOM 899 N ARG A 57 -8.365 3.291 -4.203 1.00 73.41 N ATOM 900 CA ARG A 57 -9.769 3.608 -3.840 1.00 61.02 C ATOM 901 C ARG A 57 -9.836 4.478 -2.563 1.00 52.23 C ATOM 902 O ARG A 57 -10.896 5.030 -2.235 1.00 61.02 O ATOM 903 CB ARG A 57 -10.600 2.310 -3.671 1.00 14.22 C ATOM 904 CG ARG A 57 -10.797 1.518 -4.979 1.00 23.51 C ATOM 905 CD ARG A 57 -11.755 0.321 -4.821 1.00 43.14 C ATOM 906 NE ARG A 57 -13.085 0.720 -4.303 1.00 21.51 N ATOM 907 CZ ARG A 57 -14.042 1.370 -5.001 1.00 74.02 C ATOM 908 NH1 ARG A 57 -13.853 1.741 -6.270 1.00 65.54 N ATOM 909 NH2 ARG A 57 -15.182 1.680 -4.405 1.00 53.03 N ATOM 0 H ARG A 57 -8.077 2.345 -3.952 1.00 73.41 H new ATOM 0 HA ARG A 57 -10.203 4.186 -4.656 1.00 61.02 H new ATOM 0 HB2 ARG A 57 -10.108 1.668 -2.940 1.00 14.22 H new ATOM 0 HB3 ARG A 57 -11.578 2.567 -3.263 1.00 14.22 H new ATOM 0 HG2 ARG A 57 -11.184 2.187 -5.747 1.00 23.51 H new ATOM 0 HG3 ARG A 57 -9.829 1.158 -5.328 1.00 23.51 H new ATOM 0 HD2 ARG A 57 -11.878 -0.171 -5.786 1.00 43.14 H new ATOM 0 HD3 ARG A 57 -11.310 -0.409 -4.145 1.00 43.14 H new ATOM 0 HE ARG A 57 -13.297 0.483 -3.334 1.00 21.51 H new ATOM 0 HH11 ARG A 57 -12.969 1.535 -6.735 1.00 65.54 H new ATOM 0 HH12 ARG A 57 -14.593 2.231 -6.774 1.00 65.54 H new ATOM 0 HH21 ARG A 57 -15.332 1.428 -3.428 1.00 53.03 H new ATOM 0 HH22 ARG A 57 -15.911 2.171 -4.923 1.00 53.03 H new ATOM 923 N ILE A 58 -8.694 4.598 -1.860 1.00 22.35 N ATOM 924 CA ILE A 58 -8.541 5.479 -0.696 1.00 54.53 C ATOM 925 C ILE A 58 -8.104 6.855 -1.227 1.00 43.34 C ATOM 926 O ILE A 58 -6.989 6.994 -1.754 1.00 73.12 O ATOM 927 CB ILE A 58 -7.474 4.910 0.324 1.00 55.14 C ATOM 928 CG1 ILE A 58 -7.826 3.432 0.712 1.00 22.24 C ATOM 929 CG2 ILE A 58 -7.348 5.813 1.580 1.00 21.41 C ATOM 930 CD1 ILE A 58 -6.777 2.716 1.552 1.00 12.44 C ATOM 0 H ILE A 58 -7.846 4.080 -2.090 1.00 22.35 H new ATOM 0 HA ILE A 58 -9.483 5.551 -0.152 1.00 54.53 H new ATOM 0 HB ILE A 58 -6.501 4.911 -0.166 1.00 55.14 H new ATOM 0 HG12 ILE A 58 -8.769 3.431 1.259 1.00 22.24 H new ATOM 0 HG13 ILE A 58 -7.988 2.862 -0.203 1.00 22.24 H new ATOM 0 HG21 ILE A 58 -6.606 5.391 2.258 1.00 21.41 H new ATOM 0 HG22 ILE A 58 -7.037 6.813 1.279 1.00 21.41 H new ATOM 0 HG23 ILE A 58 -8.312 5.869 2.086 1.00 21.41 H new ATOM 0 HD11 ILE A 58 -7.114 1.702 1.767 1.00 12.44 H new ATOM 0 HD12 ILE A 58 -5.836 2.677 1.003 1.00 12.44 H new ATOM 0 HD13 ILE A 58 -6.630 3.256 2.487 1.00 12.44 H new ATOM 942 N GLU A 59 -9.006 7.846 -1.127 1.00 14.43 N ATOM 943 CA GLU A 59 -8.776 9.203 -1.647 1.00 13.44 C ATOM 944 C GLU A 59 -7.766 9.930 -0.744 1.00 42.21 C ATOM 945 O GLU A 59 -8.116 10.501 0.296 1.00 73.14 O ATOM 946 CB GLU A 59 -10.114 9.982 -1.784 1.00 72.32 C ATOM 947 CG GLU A 59 -11.055 9.399 -2.863 1.00 51.14 C ATOM 948 CD GLU A 59 -12.354 10.205 -3.043 1.00 42.31 C ATOM 949 OE1 GLU A 59 -13.345 9.922 -2.345 1.00 51.21 O ATOM 950 OE2 GLU A 59 -12.390 11.126 -3.887 1.00 55.24 O ATOM 0 H GLU A 59 -9.916 7.728 -0.682 1.00 14.43 H new ATOM 0 HA GLU A 59 -8.352 9.142 -2.649 1.00 13.44 H new ATOM 0 HB2 GLU A 59 -10.628 9.978 -0.823 1.00 72.32 H new ATOM 0 HB3 GLU A 59 -9.897 11.023 -2.025 1.00 72.32 H new ATOM 0 HG2 GLU A 59 -10.525 9.361 -3.815 1.00 51.14 H new ATOM 0 HG3 GLU A 59 -11.307 8.372 -2.598 1.00 51.14 H new ATOM 957 N GLY A 60 -6.501 9.815 -1.148 1.00 61.43 N ATOM 958 CA GLY A 60 -5.361 10.262 -0.379 1.00 32.52 C ATOM 959 C GLY A 60 -4.077 9.622 -0.886 1.00 41.45 C ATOM 960 O GLY A 60 -2.998 10.181 -0.715 1.00 73.03 O ATOM 0 H GLY A 60 -6.244 9.397 -2.042 1.00 61.43 H new ATOM 0 HA2 GLY A 60 -5.279 11.347 -0.440 1.00 32.52 H new ATOM 0 HA3 GLY A 60 -5.506 10.012 0.672 1.00 32.52 H new ATOM 964 N VAL A 61 -4.210 8.430 -1.505 1.00 15.03 N ATOM 965 CA VAL A 61 -3.082 7.634 -2.028 1.00 33.13 C ATOM 966 C VAL A 61 -2.753 8.049 -3.482 1.00 14.21 C ATOM 967 O VAL A 61 -3.566 7.856 -4.389 1.00 52.55 O ATOM 968 CB VAL A 61 -3.416 6.098 -1.958 1.00 31.32 C ATOM 969 CG1 VAL A 61 -2.288 5.221 -2.563 1.00 30.34 C ATOM 970 CG2 VAL A 61 -3.737 5.680 -0.498 1.00 52.41 C ATOM 0 H VAL A 61 -5.117 7.988 -1.657 1.00 15.03 H new ATOM 0 HA VAL A 61 -2.207 7.828 -1.408 1.00 33.13 H new ATOM 0 HB VAL A 61 -4.302 5.927 -2.570 1.00 31.32 H new ATOM 0 HG11 VAL A 61 -2.566 4.170 -2.491 1.00 30.34 H new ATOM 0 HG12 VAL A 61 -2.142 5.487 -3.610 1.00 30.34 H new ATOM 0 HG13 VAL A 61 -1.362 5.390 -2.014 1.00 30.34 H new ATOM 0 HG21 VAL A 61 -3.966 4.615 -0.466 1.00 52.41 H new ATOM 0 HG22 VAL A 61 -2.875 5.885 0.137 1.00 52.41 H new ATOM 0 HG23 VAL A 61 -4.596 6.246 -0.138 1.00 52.41 H new ATOM 980 N LYS A 62 -1.550 8.613 -3.683 1.00 31.54 N ATOM 981 CA LYS A 62 -1.074 9.069 -5.002 1.00 44.41 C ATOM 982 C LYS A 62 -0.500 7.904 -5.813 1.00 30.40 C ATOM 983 O LYS A 62 -0.708 7.813 -7.030 1.00 13.42 O ATOM 984 CB LYS A 62 0.009 10.166 -4.838 1.00 24.12 C ATOM 985 CG LYS A 62 0.456 10.845 -6.159 1.00 4.10 C ATOM 986 CD LYS A 62 -0.721 11.496 -6.923 1.00 64.22 C ATOM 987 CE LYS A 62 -0.312 12.031 -8.305 1.00 12.20 C ATOM 988 NZ LYS A 62 0.679 13.135 -8.224 1.00 74.34 N ATOM 0 H LYS A 62 -0.877 8.767 -2.932 1.00 31.54 H new ATOM 0 HA LYS A 62 -1.929 9.482 -5.538 1.00 44.41 H new ATOM 0 HB2 LYS A 62 -0.371 10.933 -4.163 1.00 24.12 H new ATOM 0 HB3 LYS A 62 0.883 9.724 -4.360 1.00 24.12 H new ATOM 0 HG2 LYS A 62 1.205 11.605 -5.937 1.00 4.10 H new ATOM 0 HG3 LYS A 62 0.935 10.104 -6.800 1.00 4.10 H new ATOM 0 HD2 LYS A 62 -1.519 10.763 -7.044 1.00 64.22 H new ATOM 0 HD3 LYS A 62 -1.127 12.314 -6.327 1.00 64.22 H new ATOM 0 HE2 LYS A 62 0.106 11.216 -8.896 1.00 12.20 H new ATOM 0 HE3 LYS A 62 -1.200 12.383 -8.831 1.00 12.20 H new ATOM 0 HZ1 LYS A 62 0.919 13.457 -9.183 1.00 74.34 H new ATOM 0 HZ2 LYS A 62 0.274 13.926 -7.684 1.00 74.34 H new ATOM 0 HZ3 LYS A 62 1.539 12.795 -7.748 1.00 74.34 H new ATOM 1002 N SER A 63 0.235 7.028 -5.119 1.00 63.45 N ATOM 1003 CA SER A 63 0.946 5.907 -5.737 1.00 15.35 C ATOM 1004 C SER A 63 1.187 4.801 -4.708 1.00 75.01 C ATOM 1005 O SER A 63 1.309 5.066 -3.504 1.00 2.34 O ATOM 1006 CB SER A 63 2.281 6.384 -6.350 1.00 23.22 C ATOM 1007 OG SER A 63 3.081 7.058 -5.393 1.00 61.54 O ATOM 0 H SER A 63 0.353 7.079 -4.107 1.00 63.45 H new ATOM 0 HA SER A 63 0.329 5.503 -6.540 1.00 15.35 H new ATOM 0 HB2 SER A 63 2.828 5.528 -6.745 1.00 23.22 H new ATOM 0 HB3 SER A 63 2.080 7.048 -7.190 1.00 23.22 H new ATOM 0 HG SER A 63 3.919 7.346 -5.812 1.00 61.54 H new ATOM 1013 N VAL A 64 1.237 3.558 -5.205 1.00 72.32 N ATOM 1014 CA VAL A 64 1.526 2.360 -4.411 1.00 41.34 C ATOM 1015 C VAL A 64 2.848 1.753 -4.900 1.00 74.54 C ATOM 1016 O VAL A 64 3.101 1.698 -6.098 1.00 42.52 O ATOM 1017 CB VAL A 64 0.366 1.300 -4.537 1.00 0.24 C ATOM 1018 CG1 VAL A 64 0.672 0.004 -3.747 1.00 45.51 C ATOM 1019 CG2 VAL A 64 -0.984 1.907 -4.090 1.00 21.01 C ATOM 0 H VAL A 64 1.074 3.355 -6.191 1.00 72.32 H new ATOM 0 HA VAL A 64 1.606 2.640 -3.361 1.00 41.34 H new ATOM 0 HB VAL A 64 0.294 1.027 -5.590 1.00 0.24 H new ATOM 0 HG11 VAL A 64 -0.155 -0.697 -3.863 1.00 45.51 H new ATOM 0 HG12 VAL A 64 1.587 -0.448 -4.130 1.00 45.51 H new ATOM 0 HG13 VAL A 64 0.799 0.243 -2.691 1.00 45.51 H new ATOM 0 HG21 VAL A 64 -1.769 1.157 -4.186 1.00 21.01 H new ATOM 0 HG22 VAL A 64 -0.913 2.227 -3.051 1.00 21.01 H new ATOM 0 HG23 VAL A 64 -1.223 2.765 -4.718 1.00 21.01 H new ATOM 1029 N PHE A 65 3.694 1.345 -3.960 1.00 63.52 N ATOM 1030 CA PHE A 65 4.936 0.606 -4.225 1.00 63.14 C ATOM 1031 C PHE A 65 4.957 -0.622 -3.314 1.00 25.10 C ATOM 1032 O PHE A 65 4.545 -0.545 -2.160 1.00 63.32 O ATOM 1033 CB PHE A 65 6.178 1.517 -3.976 1.00 11.21 C ATOM 1034 CG PHE A 65 7.535 0.821 -4.165 1.00 70.24 C ATOM 1035 CD1 PHE A 65 8.050 0.600 -5.440 1.00 63.24 C ATOM 1036 CD2 PHE A 65 8.284 0.377 -3.072 1.00 21.32 C ATOM 1037 CE1 PHE A 65 9.264 -0.036 -5.622 1.00 65.53 C ATOM 1038 CE2 PHE A 65 9.494 -0.260 -3.255 1.00 65.41 C ATOM 1039 CZ PHE A 65 9.986 -0.468 -4.528 1.00 33.10 C ATOM 0 H PHE A 65 3.537 1.520 -2.968 1.00 63.52 H new ATOM 0 HA PHE A 65 4.976 0.290 -5.267 1.00 63.14 H new ATOM 0 HB2 PHE A 65 6.126 2.371 -4.651 1.00 11.21 H new ATOM 0 HB3 PHE A 65 6.125 1.910 -2.961 1.00 11.21 H new ATOM 0 HD1 PHE A 65 7.491 0.932 -6.302 1.00 63.24 H new ATOM 0 HD2 PHE A 65 7.911 0.535 -2.071 1.00 21.32 H new ATOM 0 HE1 PHE A 65 9.647 -0.195 -6.619 1.00 65.53 H new ATOM 0 HE2 PHE A 65 10.059 -0.597 -2.399 1.00 65.41 H new ATOM 0 HZ PHE A 65 10.933 -0.967 -4.667 1.00 33.10 H new ATOM 1049 N PHE A 66 5.403 -1.759 -3.844 1.00 25.12 N ATOM 1050 CA PHE A 66 5.619 -2.973 -3.051 1.00 31.21 C ATOM 1051 C PHE A 66 7.115 -3.278 -3.013 1.00 25.55 C ATOM 1052 O PHE A 66 7.760 -3.429 -4.061 1.00 24.22 O ATOM 1053 CB PHE A 66 4.829 -4.164 -3.629 1.00 72.22 C ATOM 1054 CG PHE A 66 3.312 -3.992 -3.598 1.00 65.52 C ATOM 1055 CD1 PHE A 66 2.640 -3.777 -2.394 1.00 14.20 C ATOM 1056 CD2 PHE A 66 2.564 -4.024 -4.772 1.00 22.22 C ATOM 1057 CE1 PHE A 66 1.267 -3.612 -2.366 1.00 55.32 C ATOM 1058 CE2 PHE A 66 1.192 -3.856 -4.740 1.00 31.40 C ATOM 1059 CZ PHE A 66 0.545 -3.646 -3.542 1.00 1.32 C ATOM 0 H PHE A 66 5.625 -1.867 -4.834 1.00 25.12 H new ATOM 0 HA PHE A 66 5.255 -2.809 -2.037 1.00 31.21 H new ATOM 0 HB2 PHE A 66 5.143 -4.326 -4.660 1.00 72.22 H new ATOM 0 HB3 PHE A 66 5.092 -5.063 -3.071 1.00 72.22 H new ATOM 0 HD1 PHE A 66 3.200 -3.739 -1.471 1.00 14.20 H new ATOM 0 HD2 PHE A 66 3.061 -4.182 -5.718 1.00 22.22 H new ATOM 0 HE1 PHE A 66 0.760 -3.457 -1.425 1.00 55.32 H new ATOM 0 HE2 PHE A 66 0.625 -3.890 -5.658 1.00 31.40 H new ATOM 0 HZ PHE A 66 -0.526 -3.508 -3.523 1.00 1.32 H new ATOM 1069 N GLY A 67 7.646 -3.354 -1.791 1.00 65.40 N ATOM 1070 CA GLY A 67 9.057 -3.594 -1.537 1.00 1.11 C ATOM 1071 C GLY A 67 9.270 -4.929 -0.844 1.00 11.23 C ATOM 1072 O GLY A 67 8.283 -5.626 -0.539 1.00 11.13 O ATOM 0 H GLY A 67 7.094 -3.248 -0.940 1.00 65.40 H new ATOM 0 HA2 GLY A 67 9.607 -3.578 -2.478 1.00 1.11 H new ATOM 0 HA3 GLY A 67 9.460 -2.792 -0.919 1.00 1.11 H new ATOM 1076 N PRO A 68 10.547 -5.340 -0.589 1.00 64.33 N ATOM 1077 CA PRO A 68 10.839 -6.611 0.093 1.00 73.22 C ATOM 1078 C PRO A 68 10.324 -6.585 1.546 1.00 62.30 C ATOM 1079 O PRO A 68 10.694 -5.693 2.325 1.00 31.11 O ATOM 1080 CB PRO A 68 12.386 -6.752 0.008 1.00 10.03 C ATOM 1081 CG PRO A 68 12.824 -5.715 -0.995 1.00 2.43 C ATOM 1082 CD PRO A 68 11.794 -4.603 -0.924 1.00 55.45 C ATOM 0 HA PRO A 68 10.340 -7.465 -0.366 1.00 73.22 H new ATOM 0 HB2 PRO A 68 12.851 -6.581 0.979 1.00 10.03 H new ATOM 0 HB3 PRO A 68 12.673 -7.754 -0.311 1.00 10.03 H new ATOM 0 HG2 PRO A 68 13.820 -5.340 -0.759 1.00 2.43 H new ATOM 0 HG3 PRO A 68 12.872 -6.138 -1.998 1.00 2.43 H new ATOM 0 HD2 PRO A 68 12.046 -3.865 -0.163 1.00 55.45 H new ATOM 0 HD3 PRO A 68 11.708 -4.069 -1.870 1.00 55.45 H new ATOM 1090 N ASP A 69 9.390 -7.517 1.843 1.00 43.42 N ATOM 1091 CA ASP A 69 8.837 -7.773 3.197 1.00 24.45 C ATOM 1092 C ASP A 69 7.894 -6.655 3.690 1.00 11.54 C ATOM 1093 O ASP A 69 7.433 -6.705 4.840 1.00 32.14 O ATOM 1094 CB ASP A 69 9.964 -8.048 4.243 1.00 21.33 C ATOM 1095 CG ASP A 69 10.824 -9.283 3.915 1.00 44.12 C ATOM 1096 OD1 ASP A 69 11.693 -9.190 3.023 1.00 21.45 O ATOM 1097 OD2 ASP A 69 10.648 -10.343 4.547 1.00 11.41 O ATOM 0 H ASP A 69 8.989 -8.128 1.132 1.00 43.42 H new ATOM 0 HA ASP A 69 8.233 -8.675 3.100 1.00 24.45 H new ATOM 0 HB2 ASP A 69 10.610 -7.173 4.307 1.00 21.33 H new ATOM 0 HB3 ASP A 69 9.511 -8.182 5.225 1.00 21.33 H new ATOM 1102 N SER A 70 7.558 -5.687 2.809 1.00 14.23 N ATOM 1103 CA SER A 70 6.832 -4.469 3.214 1.00 1.20 C ATOM 1104 C SER A 70 6.105 -3.801 2.029 1.00 33.31 C ATOM 1105 O SER A 70 6.373 -4.092 0.864 1.00 72.00 O ATOM 1106 CB SER A 70 7.838 -3.481 3.849 1.00 33.40 C ATOM 1107 OG SER A 70 8.909 -3.187 2.966 1.00 2.42 O ATOM 0 H SER A 70 7.779 -5.728 1.814 1.00 14.23 H new ATOM 0 HA SER A 70 6.065 -4.750 3.936 1.00 1.20 H new ATOM 0 HB2 SER A 70 7.323 -2.559 4.117 1.00 33.40 H new ATOM 0 HB3 SER A 70 8.233 -3.906 4.772 1.00 33.40 H new ATOM 0 HG SER A 70 9.450 -3.993 2.828 1.00 2.42 H new ATOM 1113 N ILE A 71 5.212 -2.863 2.364 1.00 65.40 N ATOM 1114 CA ILE A 71 4.446 -2.039 1.407 1.00 30.14 C ATOM 1115 C ILE A 71 4.897 -0.584 1.615 1.00 22.42 C ATOM 1116 O ILE A 71 5.407 -0.247 2.677 1.00 13.13 O ATOM 1117 CB ILE A 71 2.885 -2.167 1.667 1.00 11.34 C ATOM 1118 CG1 ILE A 71 2.456 -3.669 1.672 1.00 30.11 C ATOM 1119 CG2 ILE A 71 2.054 -1.355 0.636 1.00 43.53 C ATOM 1120 CD1 ILE A 71 1.011 -3.919 2.068 1.00 44.02 C ATOM 0 H ILE A 71 4.992 -2.646 3.336 1.00 65.40 H new ATOM 0 HA ILE A 71 4.631 -2.371 0.385 1.00 30.14 H new ATOM 0 HB ILE A 71 2.678 -1.740 2.649 1.00 11.34 H new ATOM 0 HG12 ILE A 71 2.622 -4.083 0.677 1.00 30.11 H new ATOM 0 HG13 ILE A 71 3.105 -4.215 2.357 1.00 30.11 H new ATOM 0 HG21 ILE A 71 0.992 -1.472 0.852 1.00 43.53 H new ATOM 0 HG22 ILE A 71 2.324 -0.301 0.700 1.00 43.53 H new ATOM 0 HG23 ILE A 71 2.262 -1.722 -0.369 1.00 43.53 H new ATOM 0 HD11 ILE A 71 0.807 -4.989 2.042 1.00 44.02 H new ATOM 0 HD12 ILE A 71 0.839 -3.541 3.076 1.00 44.02 H new ATOM 0 HD13 ILE A 71 0.349 -3.406 1.370 1.00 44.02 H new ATOM 1132 N THR A 72 4.775 0.250 0.588 1.00 3.32 N ATOM 1133 CA THR A 72 5.080 1.685 0.659 1.00 33.31 C ATOM 1134 C THR A 72 3.939 2.443 -0.024 1.00 54.34 C ATOM 1135 O THR A 72 3.723 2.286 -1.224 1.00 21.14 O ATOM 1136 CB THR A 72 6.448 2.012 -0.034 1.00 32.12 C ATOM 1137 OG1 THR A 72 7.484 1.181 0.524 1.00 45.24 O ATOM 1138 CG2 THR A 72 6.845 3.499 0.116 1.00 62.44 C ATOM 0 H THR A 72 4.457 -0.051 -0.333 1.00 3.32 H new ATOM 0 HA THR A 72 5.170 1.989 1.702 1.00 33.31 H new ATOM 0 HB THR A 72 6.329 1.810 -1.098 1.00 32.12 H new ATOM 0 HG1 THR A 72 8.338 1.386 0.089 1.00 45.24 H new ATOM 0 HG21 THR A 72 7.799 3.673 -0.381 1.00 62.44 H new ATOM 0 HG22 THR A 72 6.079 4.128 -0.339 1.00 62.44 H new ATOM 0 HG23 THR A 72 6.937 3.746 1.174 1.00 62.44 H new ATOM 1146 N VAL A 73 3.203 3.242 0.747 1.00 34.11 N ATOM 1147 CA VAL A 73 2.083 4.048 0.248 1.00 72.21 C ATOM 1148 C VAL A 73 2.531 5.514 0.238 1.00 40.35 C ATOM 1149 O VAL A 73 3.192 5.960 1.178 1.00 3.24 O ATOM 1150 CB VAL A 73 0.801 3.870 1.148 1.00 12.03 C ATOM 1151 CG1 VAL A 73 -0.357 4.778 0.674 1.00 71.04 C ATOM 1152 CG2 VAL A 73 0.354 2.386 1.196 1.00 3.43 C ATOM 0 H VAL A 73 3.367 3.351 1.748 1.00 34.11 H new ATOM 0 HA VAL A 73 1.814 3.721 -0.756 1.00 72.21 H new ATOM 0 HB VAL A 73 1.069 4.177 2.159 1.00 12.03 H new ATOM 0 HG11 VAL A 73 -1.224 4.628 1.318 1.00 71.04 H new ATOM 0 HG12 VAL A 73 -0.045 5.821 0.723 1.00 71.04 H new ATOM 0 HG13 VAL A 73 -0.620 4.526 -0.353 1.00 71.04 H new ATOM 0 HG21 VAL A 73 -0.532 2.293 1.824 1.00 3.43 H new ATOM 0 HG22 VAL A 73 0.122 2.043 0.188 1.00 3.43 H new ATOM 0 HG23 VAL A 73 1.158 1.777 1.610 1.00 3.43 H new ATOM 1162 N THR A 74 2.201 6.246 -0.830 1.00 14.11 N ATOM 1163 CA THR A 74 2.504 7.675 -0.953 1.00 42.51 C ATOM 1164 C THR A 74 1.191 8.478 -0.941 1.00 5.41 C ATOM 1165 O THR A 74 0.187 8.017 -1.475 1.00 5.41 O ATOM 1166 CB THR A 74 3.310 7.944 -2.262 1.00 12.22 C ATOM 1167 OG1 THR A 74 4.445 7.064 -2.319 1.00 72.14 O ATOM 1168 CG2 THR A 74 3.800 9.397 -2.367 1.00 73.54 C ATOM 0 H THR A 74 1.713 5.861 -1.639 1.00 14.11 H new ATOM 0 HA THR A 74 3.117 7.992 -0.110 1.00 42.51 H new ATOM 0 HB THR A 74 2.634 7.760 -3.097 1.00 12.22 H new ATOM 0 HG1 THR A 74 5.132 7.375 -1.693 1.00 72.14 H new ATOM 0 HG21 THR A 74 4.354 9.528 -3.296 1.00 73.54 H new ATOM 0 HG22 THR A 74 2.944 10.071 -2.357 1.00 73.54 H new ATOM 0 HG23 THR A 74 4.450 9.624 -1.522 1.00 73.54 H new ATOM 1176 N LYS A 75 1.209 9.654 -0.293 1.00 33.40 N ATOM 1177 CA LYS A 75 0.060 10.582 -0.243 1.00 0.22 C ATOM 1178 C LYS A 75 0.099 11.537 -1.456 1.00 21.24 C ATOM 1179 O LYS A 75 1.166 11.749 -2.044 1.00 4.32 O ATOM 1180 CB LYS A 75 0.065 11.391 1.087 1.00 12.25 C ATOM 1181 CG LYS A 75 1.251 12.379 1.230 1.00 51.42 C ATOM 1182 CD LYS A 75 1.332 13.055 2.619 1.00 41.22 C ATOM 1183 CE LYS A 75 1.610 12.057 3.754 1.00 23.53 C ATOM 1184 NZ LYS A 75 1.698 12.712 5.088 1.00 63.45 N ATOM 0 H LYS A 75 2.026 9.993 0.216 1.00 33.40 H new ATOM 0 HA LYS A 75 -0.860 9.999 -0.283 1.00 0.22 H new ATOM 0 HB2 LYS A 75 -0.868 11.949 1.162 1.00 12.25 H new ATOM 0 HB3 LYS A 75 0.087 10.692 1.923 1.00 12.25 H new ATOM 0 HG2 LYS A 75 2.182 11.845 1.041 1.00 51.42 H new ATOM 0 HG3 LYS A 75 1.164 13.150 0.465 1.00 51.42 H new ATOM 0 HD2 LYS A 75 2.118 13.810 2.605 1.00 41.22 H new ATOM 0 HD3 LYS A 75 0.395 13.574 2.820 1.00 41.22 H new ATOM 0 HE2 LYS A 75 0.820 11.307 3.774 1.00 23.53 H new ATOM 0 HE3 LYS A 75 2.543 11.532 3.550 1.00 23.53 H new ATOM 0 HZ1 LYS A 75 1.853 11.990 5.820 1.00 63.45 H new ATOM 0 HZ2 LYS A 75 2.491 13.385 5.093 1.00 63.45 H new ATOM 0 HZ3 LYS A 75 0.812 13.220 5.285 1.00 63.45 H new ATOM 1198 N GLU A 76 -1.066 12.106 -1.819 1.00 70.23 N ATOM 1199 CA GLU A 76 -1.189 13.050 -2.957 1.00 21.52 C ATOM 1200 C GLU A 76 -0.469 14.373 -2.669 1.00 54.30 C ATOM 1201 O GLU A 76 0.378 14.826 -3.449 1.00 44.24 O ATOM 1202 CB GLU A 76 -2.681 13.303 -3.286 1.00 54.22 C ATOM 1203 CG GLU A 76 -3.459 12.039 -3.699 1.00 11.23 C ATOM 1204 CD GLU A 76 -4.933 12.321 -4.025 1.00 70.15 C ATOM 1205 OE1 GLU A 76 -5.754 12.376 -3.085 1.00 71.05 O ATOM 1206 OE2 GLU A 76 -5.269 12.509 -5.216 1.00 14.21 O ATOM 0 H GLU A 76 -1.947 11.928 -1.337 1.00 70.23 H new ATOM 0 HA GLU A 76 -0.709 12.595 -3.824 1.00 21.52 H new ATOM 0 HB2 GLU A 76 -3.164 13.745 -2.414 1.00 54.22 H new ATOM 0 HB3 GLU A 76 -2.745 14.035 -4.091 1.00 54.22 H new ATOM 0 HG2 GLU A 76 -2.979 11.592 -4.570 1.00 11.23 H new ATOM 0 HG3 GLU A 76 -3.404 11.306 -2.894 1.00 11.23 H new ATOM 1213 N ASN A 77 -0.800 14.958 -1.519 1.00 30.42 N ATOM 1214 CA ASN A 77 -0.282 16.261 -1.082 1.00 4.32 C ATOM 1215 C ASN A 77 0.046 16.185 0.413 1.00 2.34 C ATOM 1216 O ASN A 77 -0.531 15.367 1.142 1.00 34.33 O ATOM 1217 CB ASN A 77 -1.310 17.378 -1.400 1.00 2.43 C ATOM 1218 CG ASN A 77 -2.676 17.144 -0.758 1.00 42.15 C ATOM 1219 OD1 ASN A 77 -2.916 17.760 0.379 1.00 10.30 O flip ATOM 1220 ND2 ASN A 77 -3.519 16.428 -1.294 1.00 12.14 N flip ATOM 0 H ASN A 77 -1.446 14.536 -0.851 1.00 30.42 H new ATOM 0 HA ASN A 77 0.632 16.508 -1.622 1.00 4.32 H new ATOM 0 HB2 ASN A 77 -0.914 18.334 -1.057 1.00 2.43 H new ATOM 0 HB3 ASN A 77 -1.432 17.452 -2.481 1.00 2.43 H new ATOM 0 HD21 ASN A 77 -3.306 15.962 -2.176 1.00 12.14 H new ATOM 0 HD22 ASN A 77 -4.432 16.300 -0.857 1.00 12.14 H new ATOM 1227 N GLU A 78 0.965 17.050 0.868 1.00 63.35 N ATOM 1228 CA GLU A 78 1.545 16.987 2.231 1.00 54.33 C ATOM 1229 C GLU A 78 0.584 17.560 3.309 1.00 61.40 C ATOM 1230 O GLU A 78 0.881 17.524 4.509 1.00 5.52 O ATOM 1231 CB GLU A 78 2.932 17.699 2.215 1.00 44.13 C ATOM 1232 CG GLU A 78 3.811 17.462 3.466 1.00 54.25 C ATOM 1233 CD GLU A 78 5.262 17.929 3.287 1.00 61.31 C ATOM 1234 OE1 GLU A 78 5.498 19.153 3.277 1.00 21.12 O ATOM 1235 OE2 GLU A 78 6.171 17.079 3.146 1.00 72.15 O ATOM 0 H GLU A 78 1.332 17.817 0.305 1.00 63.35 H new ATOM 0 HA GLU A 78 1.689 15.944 2.514 1.00 54.33 H new ATOM 0 HB2 GLU A 78 3.483 17.366 1.336 1.00 44.13 H new ATOM 0 HB3 GLU A 78 2.770 18.771 2.102 1.00 44.13 H new ATOM 0 HG2 GLU A 78 3.371 17.985 4.315 1.00 54.25 H new ATOM 0 HG3 GLU A 78 3.806 16.399 3.709 1.00 54.25 H new ATOM 1242 N GLU A 79 -0.587 18.055 2.871 1.00 55.44 N ATOM 1243 CA GLU A 79 -1.674 18.499 3.775 1.00 25.42 C ATOM 1244 C GLU A 79 -2.468 17.273 4.273 1.00 1.11 C ATOM 1245 O GLU A 79 -3.160 17.349 5.299 1.00 3.11 O ATOM 1246 CB GLU A 79 -2.626 19.517 3.070 1.00 4.31 C ATOM 1247 CG GLU A 79 -1.969 20.846 2.599 1.00 21.33 C ATOM 1248 CD GLU A 79 -0.885 20.677 1.515 1.00 13.43 C ATOM 1249 OE1 GLU A 79 -1.229 20.354 0.364 1.00 45.24 O ATOM 1250 OE2 GLU A 79 0.320 20.804 1.822 1.00 45.53 O ATOM 0 H GLU A 79 -0.811 18.160 1.881 1.00 55.44 H new ATOM 0 HA GLU A 79 -1.224 19.009 4.627 1.00 25.42 H new ATOM 0 HB2 GLU A 79 -3.073 19.028 2.204 1.00 4.31 H new ATOM 0 HB3 GLU A 79 -3.439 19.759 3.754 1.00 4.31 H new ATOM 0 HG2 GLU A 79 -2.748 21.505 2.216 1.00 21.33 H new ATOM 0 HG3 GLU A 79 -1.527 21.343 3.462 1.00 21.33 H new ATOM 1257 N LEU A 80 -2.358 16.150 3.533 1.00 4.44 N ATOM 1258 CA LEU A 80 -2.934 14.859 3.933 1.00 3.11 C ATOM 1259 C LEU A 80 -2.061 14.243 5.023 1.00 32.14 C ATOM 1260 O LEU A 80 -0.885 13.944 4.792 1.00 21.52 O ATOM 1261 CB LEU A 80 -2.985 13.889 2.731 1.00 41.30 C ATOM 1262 CG LEU A 80 -3.910 14.304 1.553 1.00 35.55 C ATOM 1263 CD1 LEU A 80 -3.640 13.422 0.332 1.00 45.54 C ATOM 1264 CD2 LEU A 80 -5.400 14.245 1.955 1.00 63.02 C ATOM 0 H LEU A 80 -1.865 16.118 2.640 1.00 4.44 H new ATOM 0 HA LEU A 80 -3.947 15.025 4.299 1.00 3.11 H new ATOM 0 HB2 LEU A 80 -1.973 13.768 2.345 1.00 41.30 H new ATOM 0 HB3 LEU A 80 -3.308 12.912 3.092 1.00 41.30 H new ATOM 0 HG LEU A 80 -3.683 15.338 1.294 1.00 35.55 H new ATOM 0 HD11 LEU A 80 -4.294 13.723 -0.486 1.00 45.54 H new ATOM 0 HD12 LEU A 80 -2.600 13.534 0.025 1.00 45.54 H new ATOM 0 HD13 LEU A 80 -3.833 12.380 0.586 1.00 45.54 H new ATOM 0 HD21 LEU A 80 -6.018 14.541 1.107 1.00 63.02 H new ATOM 0 HD22 LEU A 80 -5.657 13.228 2.253 1.00 63.02 H new ATOM 0 HD23 LEU A 80 -5.579 14.923 2.789 1.00 63.02 H new ATOM 1276 N ASP A 81 -2.637 14.086 6.197 1.00 52.33 N ATOM 1277 CA ASP A 81 -1.953 13.471 7.347 1.00 63.05 C ATOM 1278 C ASP A 81 -2.147 11.946 7.324 1.00 22.53 C ATOM 1279 O ASP A 81 -3.238 11.466 7.011 1.00 1.11 O ATOM 1280 CB ASP A 81 -2.480 14.075 8.668 1.00 14.31 C ATOM 1281 CG ASP A 81 -1.714 13.559 9.891 1.00 50.14 C ATOM 1282 OD1 ASP A 81 -0.545 13.951 10.076 1.00 5.32 O ATOM 1283 OD2 ASP A 81 -2.246 12.722 10.635 1.00 1.35 O ATOM 0 H ASP A 81 -3.594 14.377 6.395 1.00 52.33 H new ATOM 0 HA ASP A 81 -0.886 13.681 7.279 1.00 63.05 H new ATOM 0 HB2 ASP A 81 -2.401 15.161 8.625 1.00 14.31 H new ATOM 0 HB3 ASP A 81 -3.538 13.836 8.777 1.00 14.31 H new ATOM 1288 N TRP A 82 -1.083 11.190 7.683 1.00 74.30 N ATOM 1289 CA TRP A 82 -1.074 9.714 7.608 1.00 20.11 C ATOM 1290 C TRP A 82 -2.112 9.053 8.539 1.00 11.42 C ATOM 1291 O TRP A 82 -2.652 8.014 8.179 1.00 31.45 O ATOM 1292 CB TRP A 82 0.354 9.126 7.872 1.00 1.33 C ATOM 1293 CG TRP A 82 1.263 9.107 6.655 1.00 75.40 C ATOM 1294 CD1 TRP A 82 2.527 9.627 6.538 1.00 14.03 C ATOM 1295 CD2 TRP A 82 0.959 8.506 5.378 1.00 24.01 C ATOM 1296 NE1 TRP A 82 3.017 9.397 5.274 1.00 42.10 N ATOM 1297 CE2 TRP A 82 2.071 8.714 4.545 1.00 73.20 C ATOM 1298 CE3 TRP A 82 -0.150 7.818 4.857 1.00 45.10 C ATOM 1299 CZ2 TRP A 82 2.102 8.264 3.232 1.00 73.04 C ATOM 1300 CZ3 TRP A 82 -0.111 7.376 3.555 1.00 51.12 C ATOM 1301 CH2 TRP A 82 1.009 7.600 2.756 1.00 20.32 C ATOM 0 H TRP A 82 -0.210 11.587 8.031 1.00 74.30 H new ATOM 0 HA TRP A 82 -1.363 9.472 6.585 1.00 20.11 H new ATOM 0 HB2 TRP A 82 0.833 9.709 8.659 1.00 1.33 H new ATOM 0 HB3 TRP A 82 0.250 8.108 8.248 1.00 1.33 H new ATOM 0 HD1 TRP A 82 3.060 10.142 7.324 1.00 14.03 H new ATOM 0 HE1 TRP A 82 3.934 9.686 4.932 1.00 42.10 H new ATOM 0 HE3 TRP A 82 -1.021 7.639 5.470 1.00 45.10 H new ATOM 0 HZ2 TRP A 82 2.965 8.434 2.606 1.00 73.04 H new ATOM 0 HZ3 TRP A 82 -0.960 6.848 3.146 1.00 51.12 H new ATOM 0 HH2 TRP A 82 1.012 7.240 1.738 1.00 20.32 H new ATOM 1312 N ASN A 83 -2.413 9.670 9.707 1.00 3.35 N ATOM 1313 CA ASN A 83 -3.377 9.117 10.706 1.00 12.44 C ATOM 1314 C ASN A 83 -4.783 8.919 10.094 1.00 13.42 C ATOM 1315 O ASN A 83 -5.564 8.088 10.566 1.00 2.44 O ATOM 1316 CB ASN A 83 -3.456 10.044 11.944 1.00 63.33 C ATOM 1317 CG ASN A 83 -4.362 9.528 13.076 1.00 60.00 C ATOM 1318 OD1 ASN A 83 -5.553 9.852 13.137 1.00 73.21 O ATOM 1319 ND2 ASN A 83 -3.814 8.705 13.961 1.00 33.13 N ATOM 0 H ASN A 83 -2.001 10.560 9.988 1.00 3.35 H new ATOM 0 HA ASN A 83 -3.010 8.138 11.014 1.00 12.44 H new ATOM 0 HB2 ASN A 83 -2.450 10.187 12.339 1.00 63.33 H new ATOM 0 HB3 ASN A 83 -3.816 11.022 11.626 1.00 63.33 H new ATOM 0 HD21 ASN A 83 -4.379 8.321 14.718 1.00 33.13 H new ATOM 0 HD22 ASN A 83 -2.828 8.456 13.884 1.00 33.13 H new ATOM 1326 N LEU A 84 -5.074 9.684 9.025 1.00 33.13 N ATOM 1327 CA LEU A 84 -6.357 9.629 8.309 1.00 2.45 C ATOM 1328 C LEU A 84 -6.413 8.367 7.416 1.00 61.31 C ATOM 1329 O LEU A 84 -7.394 7.626 7.440 1.00 13.35 O ATOM 1330 CB LEU A 84 -6.528 10.919 7.454 1.00 5.42 C ATOM 1331 CG LEU A 84 -6.360 12.274 8.223 1.00 32.21 C ATOM 1332 CD1 LEU A 84 -6.455 13.485 7.270 1.00 53.43 C ATOM 1333 CD2 LEU A 84 -7.368 12.392 9.389 1.00 62.54 C ATOM 0 H LEU A 84 -4.419 10.361 8.633 1.00 33.13 H new ATOM 0 HA LEU A 84 -7.174 9.573 9.028 1.00 2.45 H new ATOM 0 HB2 LEU A 84 -5.803 10.892 6.641 1.00 5.42 H new ATOM 0 HB3 LEU A 84 -7.518 10.902 6.999 1.00 5.42 H new ATOM 0 HG LEU A 84 -5.359 12.279 8.654 1.00 32.21 H new ATOM 0 HD11 LEU A 84 -6.334 14.406 7.839 1.00 53.43 H new ATOM 0 HD12 LEU A 84 -5.670 13.418 6.517 1.00 53.43 H new ATOM 0 HD13 LEU A 84 -7.429 13.487 6.780 1.00 53.43 H new ATOM 0 HD21 LEU A 84 -7.223 13.344 9.900 1.00 62.54 H new ATOM 0 HD22 LEU A 84 -8.384 12.341 8.998 1.00 62.54 H new ATOM 0 HD23 LEU A 84 -7.208 11.574 10.092 1.00 62.54 H new ATOM 1345 N LEU A 85 -5.321 8.120 6.663 1.00 74.03 N ATOM 1346 CA LEU A 85 -5.238 7.014 5.691 1.00 62.21 C ATOM 1347 C LEU A 85 -4.994 5.653 6.379 1.00 11.02 C ATOM 1348 O LEU A 85 -5.521 4.651 5.919 1.00 43.11 O ATOM 1349 CB LEU A 85 -4.113 7.274 4.646 1.00 71.34 C ATOM 1350 CG LEU A 85 -4.319 8.489 3.670 1.00 14.12 C ATOM 1351 CD1 LEU A 85 -4.014 9.846 4.333 1.00 73.41 C ATOM 1352 CD2 LEU A 85 -3.503 8.305 2.369 1.00 43.30 C ATOM 0 H LEU A 85 -4.472 8.683 6.713 1.00 74.03 H new ATOM 0 HA LEU A 85 -6.202 6.972 5.184 1.00 62.21 H new ATOM 0 HB2 LEU A 85 -3.178 7.426 5.185 1.00 71.34 H new ATOM 0 HB3 LEU A 85 -3.992 6.372 4.045 1.00 71.34 H new ATOM 0 HG LEU A 85 -5.378 8.503 3.410 1.00 14.12 H new ATOM 0 HD11 LEU A 85 -4.174 10.647 3.612 1.00 73.41 H new ATOM 0 HD12 LEU A 85 -4.675 9.990 5.188 1.00 73.41 H new ATOM 0 HD13 LEU A 85 -2.977 9.862 4.669 1.00 73.41 H new ATOM 0 HD21 LEU A 85 -3.665 9.161 1.714 1.00 43.30 H new ATOM 0 HD22 LEU A 85 -2.443 8.230 2.612 1.00 43.30 H new ATOM 0 HD23 LEU A 85 -3.825 7.395 1.863 1.00 43.30 H new ATOM 1364 N LYS A 86 -4.179 5.640 7.462 1.00 25.40 N ATOM 1365 CA LYS A 86 -3.761 4.403 8.180 1.00 52.35 C ATOM 1366 C LYS A 86 -4.925 3.405 8.476 1.00 2.22 C ATOM 1367 O LYS A 86 -4.784 2.250 8.090 1.00 74.52 O ATOM 1368 CB LYS A 86 -2.996 4.741 9.494 1.00 12.43 C ATOM 1369 CG LYS A 86 -1.564 5.267 9.292 1.00 3.41 C ATOM 1370 CD LYS A 86 -0.936 5.770 10.618 1.00 20.44 C ATOM 1371 CE LYS A 86 0.483 6.319 10.423 1.00 50.31 C ATOM 1372 NZ LYS A 86 1.011 6.974 11.643 1.00 73.13 N ATOM 0 H LYS A 86 -3.789 6.491 7.867 1.00 25.40 H new ATOM 0 HA LYS A 86 -3.091 3.892 7.489 1.00 52.35 H new ATOM 0 HB2 LYS A 86 -3.567 5.486 10.048 1.00 12.43 H new ATOM 0 HB3 LYS A 86 -2.955 3.845 10.114 1.00 12.43 H new ATOM 0 HG2 LYS A 86 -0.943 4.475 8.874 1.00 3.41 H new ATOM 0 HG3 LYS A 86 -1.576 6.079 8.565 1.00 3.41 H new ATOM 0 HD2 LYS A 86 -1.569 6.549 11.044 1.00 20.44 H new ATOM 0 HD3 LYS A 86 -0.910 4.952 11.338 1.00 20.44 H new ATOM 0 HE2 LYS A 86 1.148 5.505 10.135 1.00 50.31 H new ATOM 0 HE3 LYS A 86 0.482 7.035 9.601 1.00 50.31 H new ATOM 0 HZ1 LYS A 86 1.972 7.328 11.459 1.00 73.13 H new ATOM 0 HZ2 LYS A 86 0.394 7.769 11.905 1.00 73.13 H new ATOM 0 HZ3 LYS A 86 1.039 6.286 12.422 1.00 73.13 H new ATOM 1386 N PRO A 87 -6.084 3.805 9.145 1.00 35.50 N ATOM 1387 CA PRO A 87 -7.181 2.845 9.456 1.00 45.44 C ATOM 1388 C PRO A 87 -7.818 2.251 8.183 1.00 43.05 C ATOM 1389 O PRO A 87 -8.274 1.109 8.191 1.00 13.34 O ATOM 1390 CB PRO A 87 -8.200 3.706 10.256 1.00 42.11 C ATOM 1391 CG PRO A 87 -7.913 5.119 9.849 1.00 41.45 C ATOM 1392 CD PRO A 87 -6.418 5.171 9.645 1.00 35.53 C ATOM 0 HA PRO A 87 -6.826 1.977 10.011 1.00 45.44 H new ATOM 0 HB2 PRO A 87 -9.226 3.427 10.018 1.00 42.11 H new ATOM 0 HB3 PRO A 87 -8.074 3.571 11.330 1.00 42.11 H new ATOM 0 HG2 PRO A 87 -8.445 5.382 8.935 1.00 41.45 H new ATOM 0 HG3 PRO A 87 -8.231 5.823 10.617 1.00 41.45 H new ATOM 0 HD2 PRO A 87 -6.138 5.941 8.926 1.00 35.53 H new ATOM 0 HD3 PRO A 87 -5.894 5.397 10.574 1.00 35.53 H new ATOM 1400 N ASP A 88 -7.816 3.052 7.099 1.00 73.13 N ATOM 1401 CA ASP A 88 -8.311 2.643 5.772 1.00 63.21 C ATOM 1402 C ASP A 88 -7.355 1.625 5.137 1.00 2.51 C ATOM 1403 O ASP A 88 -7.798 0.632 4.579 1.00 71.11 O ATOM 1404 CB ASP A 88 -8.461 3.891 4.857 1.00 14.55 C ATOM 1405 CG ASP A 88 -9.580 4.834 5.315 1.00 41.44 C ATOM 1406 OD1 ASP A 88 -9.342 5.669 6.213 1.00 31.14 O ATOM 1407 OD2 ASP A 88 -10.713 4.725 4.796 1.00 3.31 O ATOM 0 H ASP A 88 -7.467 4.010 7.122 1.00 73.13 H new ATOM 0 HA ASP A 88 -9.287 2.172 5.888 1.00 63.21 H new ATOM 0 HB2 ASP A 88 -7.518 4.437 4.838 1.00 14.55 H new ATOM 0 HB3 ASP A 88 -8.662 3.565 3.836 1.00 14.55 H new ATOM 1412 N ILE A 89 -6.039 1.893 5.243 1.00 45.14 N ATOM 1413 CA ILE A 89 -4.976 1.038 4.686 1.00 0.24 C ATOM 1414 C ILE A 89 -4.907 -0.306 5.446 1.00 51.24 C ATOM 1415 O ILE A 89 -4.719 -1.349 4.823 1.00 23.21 O ATOM 1416 CB ILE A 89 -3.580 1.788 4.700 1.00 24.34 C ATOM 1417 CG1 ILE A 89 -3.650 3.056 3.780 1.00 51.05 C ATOM 1418 CG2 ILE A 89 -2.403 0.860 4.286 1.00 75.45 C ATOM 1419 CD1 ILE A 89 -2.410 3.936 3.792 1.00 4.32 C ATOM 0 H ILE A 89 -5.682 2.719 5.723 1.00 45.14 H new ATOM 0 HA ILE A 89 -5.218 0.820 3.646 1.00 0.24 H new ATOM 0 HB ILE A 89 -3.379 2.099 5.725 1.00 24.34 H new ATOM 0 HG12 ILE A 89 -3.836 2.732 2.756 1.00 51.05 H new ATOM 0 HG13 ILE A 89 -4.506 3.658 4.084 1.00 51.05 H new ATOM 0 HG21 ILE A 89 -1.470 1.422 4.312 1.00 75.45 H new ATOM 0 HG22 ILE A 89 -2.340 0.021 4.979 1.00 75.45 H new ATOM 0 HG23 ILE A 89 -2.573 0.485 3.277 1.00 75.45 H new ATOM 0 HD11 ILE A 89 -2.560 4.785 3.124 1.00 4.32 H new ATOM 0 HD12 ILE A 89 -2.230 4.298 4.804 1.00 4.32 H new ATOM 0 HD13 ILE A 89 -1.550 3.357 3.456 1.00 4.32 H new ATOM 1431 N TYR A 90 -5.121 -0.271 6.783 1.00 42.44 N ATOM 1432 CA TYR A 90 -5.174 -1.487 7.620 1.00 60.34 C ATOM 1433 C TYR A 90 -6.397 -2.321 7.230 1.00 30.41 C ATOM 1434 O TYR A 90 -6.285 -3.526 7.045 1.00 21.42 O ATOM 1435 CB TYR A 90 -5.230 -1.155 9.142 1.00 34.54 C ATOM 1436 CG TYR A 90 -4.039 -0.349 9.688 1.00 51.14 C ATOM 1437 CD1 TYR A 90 -2.751 -0.495 9.161 1.00 43.43 C ATOM 1438 CD2 TYR A 90 -4.215 0.569 10.730 1.00 23.11 C ATOM 1439 CE1 TYR A 90 -1.692 0.245 9.653 1.00 31.53 C ATOM 1440 CE2 TYR A 90 -3.160 1.312 11.219 1.00 11.41 C ATOM 1441 CZ TYR A 90 -1.901 1.148 10.679 1.00 23.12 C ATOM 1442 OH TYR A 90 -0.847 1.899 11.160 1.00 44.21 O ATOM 0 H TYR A 90 -5.260 0.594 7.305 1.00 42.44 H new ATOM 0 HA TYR A 90 -4.258 -2.050 7.442 1.00 60.34 H new ATOM 0 HB2 TYR A 90 -6.145 -0.598 9.341 1.00 34.54 H new ATOM 0 HB3 TYR A 90 -5.299 -2.090 9.698 1.00 34.54 H new ATOM 0 HD1 TYR A 90 -2.582 -1.197 8.358 1.00 43.43 H new ATOM 0 HD2 TYR A 90 -5.197 0.698 11.160 1.00 23.11 H new ATOM 0 HE1 TYR A 90 -0.704 0.118 9.237 1.00 31.53 H new ATOM 0 HE2 TYR A 90 -3.319 2.018 12.020 1.00 11.41 H new ATOM 0 HH TYR A 90 -1.164 2.485 11.879 1.00 44.21 H new ATOM 1452 N ALA A 91 -7.555 -1.642 7.085 1.00 2.24 N ATOM 1453 CA ALA A 91 -8.822 -2.277 6.677 1.00 63.43 C ATOM 1454 C ALA A 91 -8.683 -2.954 5.299 1.00 43.33 C ATOM 1455 O ALA A 91 -9.160 -4.065 5.114 1.00 23.11 O ATOM 1456 CB ALA A 91 -9.956 -1.240 6.653 1.00 51.11 C ATOM 0 H ALA A 91 -7.636 -0.638 7.248 1.00 2.24 H new ATOM 0 HA ALA A 91 -9.066 -3.047 7.409 1.00 63.43 H new ATOM 0 HB1 ALA A 91 -10.885 -1.723 6.350 1.00 51.11 H new ATOM 0 HB2 ALA A 91 -10.078 -0.811 7.648 1.00 51.11 H new ATOM 0 HB3 ALA A 91 -9.711 -0.449 5.944 1.00 51.11 H new ATOM 1462 N THR A 92 -8.002 -2.262 4.363 1.00 51.13 N ATOM 1463 CA THR A 92 -7.732 -2.748 2.997 1.00 62.04 C ATOM 1464 C THR A 92 -6.830 -4.007 2.997 1.00 13.11 C ATOM 1465 O THR A 92 -7.140 -4.985 2.314 1.00 3.33 O ATOM 1466 CB THR A 92 -7.073 -1.608 2.143 1.00 33.14 C ATOM 1467 OG1 THR A 92 -7.995 -0.513 2.002 1.00 54.20 O ATOM 1468 CG2 THR A 92 -6.634 -2.076 0.751 1.00 1.45 C ATOM 0 H THR A 92 -7.618 -1.334 4.540 1.00 51.13 H new ATOM 0 HA THR A 92 -8.686 -3.031 2.552 1.00 62.04 H new ATOM 0 HB THR A 92 -6.176 -1.295 2.678 1.00 33.14 H new ATOM 0 HG1 THR A 92 -8.036 -0.010 2.842 1.00 54.20 H new ATOM 0 HG21 THR A 92 -6.186 -1.242 0.211 1.00 1.45 H new ATOM 0 HG22 THR A 92 -5.903 -2.878 0.851 1.00 1.45 H new ATOM 0 HG23 THR A 92 -7.501 -2.442 0.200 1.00 1.45 H new ATOM 1476 N ILE A 93 -5.721 -3.955 3.768 1.00 1.24 N ATOM 1477 CA ILE A 93 -4.755 -5.072 3.889 1.00 32.11 C ATOM 1478 C ILE A 93 -5.437 -6.305 4.522 1.00 40.24 C ATOM 1479 O ILE A 93 -5.407 -7.392 3.949 1.00 41.32 O ATOM 1480 CB ILE A 93 -3.480 -4.646 4.729 1.00 74.43 C ATOM 1481 CG1 ILE A 93 -2.638 -3.568 3.966 1.00 21.34 C ATOM 1482 CG2 ILE A 93 -2.595 -5.861 5.104 1.00 43.15 C ATOM 1483 CD1 ILE A 93 -1.473 -2.982 4.762 1.00 61.45 C ATOM 0 H ILE A 93 -5.470 -3.138 4.324 1.00 1.24 H new ATOM 0 HA ILE A 93 -4.417 -5.334 2.886 1.00 32.11 H new ATOM 0 HB ILE A 93 -3.845 -4.209 5.658 1.00 74.43 H new ATOM 0 HG12 ILE A 93 -2.247 -4.014 3.051 1.00 21.34 H new ATOM 0 HG13 ILE A 93 -3.300 -2.755 3.667 1.00 21.34 H new ATOM 0 HG21 ILE A 93 -1.734 -5.520 5.679 1.00 43.15 H new ATOM 0 HG22 ILE A 93 -3.176 -6.563 5.702 1.00 43.15 H new ATOM 0 HG23 ILE A 93 -2.252 -6.356 4.195 1.00 43.15 H new ATOM 0 HD11 ILE A 93 -0.950 -2.246 4.152 1.00 61.45 H new ATOM 0 HD12 ILE A 93 -1.853 -2.502 5.664 1.00 61.45 H new ATOM 0 HD13 ILE A 93 -0.784 -3.780 5.039 1.00 61.45 H new ATOM 1495 N MET A 94 -6.085 -6.101 5.684 1.00 33.44 N ATOM 1496 CA MET A 94 -6.748 -7.182 6.443 1.00 14.31 C ATOM 1497 C MET A 94 -7.883 -7.833 5.621 1.00 34.42 C ATOM 1498 O MET A 94 -8.020 -9.056 5.623 1.00 11.23 O ATOM 1499 CB MET A 94 -7.280 -6.658 7.807 1.00 50.41 C ATOM 1500 CG MET A 94 -6.182 -6.201 8.785 1.00 51.42 C ATOM 1501 SD MET A 94 -6.827 -5.702 10.404 1.00 51.13 S ATOM 1502 CE MET A 94 -7.866 -4.288 10.005 1.00 50.21 C ATOM 0 H MET A 94 -6.165 -5.184 6.124 1.00 33.44 H new ATOM 0 HA MET A 94 -6.002 -7.951 6.643 1.00 14.31 H new ATOM 0 HB2 MET A 94 -7.956 -5.823 7.623 1.00 50.41 H new ATOM 0 HB3 MET A 94 -7.867 -7.445 8.281 1.00 50.41 H new ATOM 0 HG2 MET A 94 -5.466 -7.011 8.921 1.00 51.42 H new ATOM 0 HG3 MET A 94 -5.638 -5.365 8.345 1.00 51.42 H new ATOM 0 HE1 MET A 94 -8.357 -3.930 10.910 1.00 50.21 H new ATOM 0 HE2 MET A 94 -7.251 -3.491 9.586 1.00 50.21 H new ATOM 0 HE3 MET A 94 -8.620 -4.585 9.276 1.00 50.21 H new ATOM 1512 N ASP A 95 -8.672 -6.995 4.916 1.00 1.24 N ATOM 1513 CA ASP A 95 -9.741 -7.443 3.986 1.00 33.10 C ATOM 1514 C ASP A 95 -9.169 -8.299 2.838 1.00 0.14 C ATOM 1515 O ASP A 95 -9.714 -9.359 2.523 1.00 60.31 O ATOM 1516 CB ASP A 95 -10.490 -6.209 3.405 1.00 71.34 C ATOM 1517 CG ASP A 95 -11.531 -6.557 2.325 1.00 51.32 C ATOM 1518 OD1 ASP A 95 -12.615 -7.063 2.678 1.00 2.33 O ATOM 1519 OD2 ASP A 95 -11.259 -6.344 1.122 1.00 11.11 O ATOM 0 H ASP A 95 -8.588 -5.980 4.974 1.00 1.24 H new ATOM 0 HA ASP A 95 -10.439 -8.061 4.550 1.00 33.10 H new ATOM 0 HB2 ASP A 95 -10.989 -5.684 4.219 1.00 71.34 H new ATOM 0 HB3 ASP A 95 -9.759 -5.520 2.981 1.00 71.34 H new ATOM 1524 N PHE A 96 -8.072 -7.809 2.245 1.00 52.11 N ATOM 1525 CA PHE A 96 -7.385 -8.434 1.095 1.00 62.52 C ATOM 1526 C PHE A 96 -6.874 -9.858 1.435 1.00 53.54 C ATOM 1527 O PHE A 96 -7.132 -10.821 0.698 1.00 21.22 O ATOM 1528 CB PHE A 96 -6.218 -7.498 0.671 1.00 71.02 C ATOM 1529 CG PHE A 96 -5.298 -8.039 -0.412 1.00 22.04 C ATOM 1530 CD1 PHE A 96 -5.679 -8.000 -1.747 1.00 65.12 C ATOM 1531 CD2 PHE A 96 -4.051 -8.581 -0.092 1.00 61.13 C ATOM 1532 CE1 PHE A 96 -4.844 -8.486 -2.724 1.00 33.52 C ATOM 1533 CE2 PHE A 96 -3.224 -9.064 -1.073 1.00 12.42 C ATOM 1534 CZ PHE A 96 -3.625 -9.015 -2.387 1.00 74.52 C ATOM 0 H PHE A 96 -7.623 -6.947 2.555 1.00 52.11 H new ATOM 0 HA PHE A 96 -8.086 -8.555 0.269 1.00 62.52 H new ATOM 0 HB2 PHE A 96 -6.641 -6.555 0.325 1.00 71.02 H new ATOM 0 HB3 PHE A 96 -5.618 -7.274 1.553 1.00 71.02 H new ATOM 0 HD1 PHE A 96 -6.638 -7.585 -2.019 1.00 65.12 H new ATOM 0 HD2 PHE A 96 -3.735 -8.620 0.940 1.00 61.13 H new ATOM 0 HE1 PHE A 96 -5.149 -8.451 -3.760 1.00 33.52 H new ATOM 0 HE2 PHE A 96 -2.262 -9.481 -0.815 1.00 12.42 H new ATOM 0 HZ PHE A 96 -2.974 -9.396 -3.160 1.00 74.52 H new ATOM 1544 N PHE A 97 -6.156 -9.962 2.570 1.00 51.53 N ATOM 1545 CA PHE A 97 -5.585 -11.232 3.062 1.00 21.53 C ATOM 1546 C PHE A 97 -6.689 -12.185 3.596 1.00 64.51 C ATOM 1547 O PHE A 97 -6.531 -13.413 3.550 1.00 75.14 O ATOM 1548 CB PHE A 97 -4.492 -10.952 4.136 1.00 35.41 C ATOM 1549 CG PHE A 97 -3.146 -10.471 3.561 1.00 21.51 C ATOM 1550 CD1 PHE A 97 -2.876 -9.117 3.363 1.00 3.02 C ATOM 1551 CD2 PHE A 97 -2.151 -11.386 3.217 1.00 43.44 C ATOM 1552 CE1 PHE A 97 -1.663 -8.694 2.842 1.00 44.12 C ATOM 1553 CE2 PHE A 97 -0.938 -10.964 2.699 1.00 43.34 C ATOM 1554 CZ PHE A 97 -0.695 -9.617 2.511 1.00 21.44 C ATOM 0 H PHE A 97 -5.955 -9.165 3.174 1.00 51.53 H new ATOM 0 HA PHE A 97 -5.111 -11.742 2.224 1.00 21.53 H new ATOM 0 HB2 PHE A 97 -4.866 -10.200 4.831 1.00 35.41 H new ATOM 0 HB3 PHE A 97 -4.323 -11.862 4.712 1.00 35.41 H new ATOM 0 HD1 PHE A 97 -3.626 -8.384 3.621 1.00 3.02 H new ATOM 0 HD2 PHE A 97 -2.330 -12.442 3.357 1.00 43.44 H new ATOM 0 HE1 PHE A 97 -1.477 -7.640 2.695 1.00 44.12 H new ATOM 0 HE2 PHE A 97 -0.180 -11.689 2.441 1.00 43.34 H new ATOM 0 HZ PHE A 97 0.251 -9.289 2.106 1.00 21.44 H new ATOM 1564 N ALA A 98 -7.812 -11.609 4.080 1.00 11.15 N ATOM 1565 CA ALA A 98 -8.991 -12.388 4.530 1.00 14.11 C ATOM 1566 C ALA A 98 -9.810 -12.906 3.331 1.00 4.30 C ATOM 1567 O ALA A 98 -10.482 -13.942 3.423 1.00 24.24 O ATOM 1568 CB ALA A 98 -9.878 -11.547 5.462 1.00 44.11 C ATOM 0 H ALA A 98 -7.928 -10.600 4.170 1.00 11.15 H new ATOM 0 HA ALA A 98 -8.624 -13.251 5.086 1.00 14.11 H new ATOM 0 HB1 ALA A 98 -10.736 -12.139 5.779 1.00 44.11 H new ATOM 0 HB2 ALA A 98 -9.302 -11.245 6.337 1.00 44.11 H new ATOM 0 HB3 ALA A 98 -10.225 -10.660 4.932 1.00 44.11 H new ATOM 1574 N SER A 99 -9.743 -12.166 2.208 1.00 50.21 N ATOM 1575 CA SER A 99 -10.422 -12.529 0.953 1.00 73.34 C ATOM 1576 C SER A 99 -9.681 -13.685 0.255 1.00 62.33 C ATOM 1577 O SER A 99 -10.282 -14.431 -0.529 1.00 45.03 O ATOM 1578 CB SER A 99 -10.506 -11.292 0.031 1.00 42.11 C ATOM 1579 OG SER A 99 -11.222 -11.567 -1.160 1.00 73.24 O ATOM 0 H SER A 99 -9.214 -11.296 2.147 1.00 50.21 H new ATOM 0 HA SER A 99 -11.434 -12.867 1.178 1.00 73.34 H new ATOM 0 HB2 SER A 99 -10.990 -10.474 0.565 1.00 42.11 H new ATOM 0 HB3 SER A 99 -9.499 -10.957 -0.220 1.00 42.11 H new ATOM 0 HG SER A 99 -11.255 -10.760 -1.716 1.00 73.24 H new ATOM 1585 N GLY A 100 -8.376 -13.825 0.566 1.00 11.03 N ATOM 1586 CA GLY A 100 -7.536 -14.863 -0.028 1.00 3.11 C ATOM 1587 C GLY A 100 -7.096 -14.522 -1.444 1.00 44.34 C ATOM 1588 O GLY A 100 -7.000 -15.407 -2.302 1.00 13.25 O ATOM 0 H GLY A 100 -7.887 -13.224 1.230 1.00 11.03 H new ATOM 0 HA2 GLY A 100 -6.655 -15.013 0.596 1.00 3.11 H new ATOM 0 HA3 GLY A 100 -8.083 -15.806 -0.039 1.00 3.11 H new ATOM 1592 N LEU A 101 -6.825 -13.230 -1.686 1.00 75.13 N ATOM 1593 CA LEU A 101 -6.360 -12.723 -2.989 1.00 1.32 C ATOM 1594 C LEU A 101 -4.816 -12.745 -3.050 1.00 50.52 C ATOM 1595 O LEU A 101 -4.166 -12.361 -2.068 1.00 54.45 O ATOM 1596 CB LEU A 101 -6.864 -11.273 -3.189 1.00 35.04 C ATOM 1597 CG LEU A 101 -8.403 -11.078 -3.281 1.00 42.03 C ATOM 1598 CD1 LEU A 101 -8.773 -9.584 -3.255 1.00 74.20 C ATOM 1599 CD2 LEU A 101 -8.970 -11.769 -4.536 1.00 34.11 C ATOM 0 H LEU A 101 -6.923 -12.502 -0.979 1.00 75.13 H new ATOM 0 HA LEU A 101 -6.755 -13.361 -3.779 1.00 1.32 H new ATOM 0 HB2 LEU A 101 -6.492 -10.666 -2.363 1.00 35.04 H new ATOM 0 HB3 LEU A 101 -6.416 -10.879 -4.101 1.00 35.04 H new ATOM 0 HG LEU A 101 -8.855 -11.547 -2.407 1.00 42.03 H new ATOM 0 HD11 LEU A 101 -9.856 -9.476 -3.321 1.00 74.20 H new ATOM 0 HD12 LEU A 101 -8.420 -9.138 -2.325 1.00 74.20 H new ATOM 0 HD13 LEU A 101 -8.306 -9.079 -4.100 1.00 74.20 H new ATOM 0 HD21 LEU A 101 -10.049 -11.618 -4.578 1.00 34.11 H new ATOM 0 HD22 LEU A 101 -8.509 -11.342 -5.426 1.00 34.11 H new ATOM 0 HD23 LEU A 101 -8.754 -12.837 -4.492 1.00 34.11 H new ATOM 1611 N PRO A 102 -4.198 -13.185 -4.199 1.00 33.51 N ATOM 1612 CA PRO A 102 -2.731 -13.079 -4.412 1.00 12.34 C ATOM 1613 C PRO A 102 -2.309 -11.600 -4.523 1.00 32.33 C ATOM 1614 O PRO A 102 -3.096 -10.775 -5.019 1.00 51.23 O ATOM 1615 CB PRO A 102 -2.505 -13.838 -5.747 1.00 13.22 C ATOM 1616 CG PRO A 102 -3.823 -13.733 -6.460 1.00 54.02 C ATOM 1617 CD PRO A 102 -4.874 -13.804 -5.372 1.00 52.24 C ATOM 0 HA PRO A 102 -2.142 -13.493 -3.594 1.00 12.34 H new ATOM 0 HB2 PRO A 102 -1.701 -13.388 -6.329 1.00 13.22 H new ATOM 0 HB3 PRO A 102 -2.229 -14.878 -5.572 1.00 13.22 H new ATOM 0 HG2 PRO A 102 -3.896 -12.798 -7.016 1.00 54.02 H new ATOM 0 HG3 PRO A 102 -3.946 -14.543 -7.179 1.00 54.02 H new ATOM 0 HD2 PRO A 102 -5.777 -13.260 -5.649 1.00 52.24 H new ATOM 0 HD3 PRO A 102 -5.172 -14.832 -5.168 1.00 52.24 H new ATOM 1625 N LEU A 103 -1.080 -11.277 -4.059 1.00 5.51 N ATOM 1626 CA LEU A 103 -0.569 -9.889 -3.984 1.00 41.12 C ATOM 1627 C LEU A 103 -0.685 -9.197 -5.355 1.00 54.21 C ATOM 1628 O LEU A 103 -1.205 -8.087 -5.453 1.00 1.04 O ATOM 1629 CB LEU A 103 0.896 -9.881 -3.431 1.00 3.44 C ATOM 1630 CG LEU A 103 1.422 -8.536 -2.810 1.00 53.50 C ATOM 1631 CD1 LEU A 103 1.777 -7.475 -3.867 1.00 35.21 C ATOM 1632 CD2 LEU A 103 0.413 -7.979 -1.784 1.00 13.22 C ATOM 0 H LEU A 103 -0.413 -11.973 -3.725 1.00 5.51 H new ATOM 0 HA LEU A 103 -1.180 -9.316 -3.287 1.00 41.12 H new ATOM 0 HB2 LEU A 103 0.974 -10.658 -2.670 1.00 3.44 H new ATOM 0 HB3 LEU A 103 1.565 -10.162 -4.244 1.00 3.44 H new ATOM 0 HG LEU A 103 2.354 -8.775 -2.298 1.00 53.50 H new ATOM 0 HD11 LEU A 103 2.133 -6.572 -3.371 1.00 35.21 H new ATOM 0 HD12 LEU A 103 2.558 -7.861 -4.522 1.00 35.21 H new ATOM 0 HD13 LEU A 103 0.892 -7.239 -4.458 1.00 35.21 H new ATOM 0 HD21 LEU A 103 0.796 -7.048 -1.366 1.00 13.22 H new ATOM 0 HD22 LEU A 103 -0.541 -7.790 -2.277 1.00 13.22 H new ATOM 0 HD23 LEU A 103 0.270 -8.705 -0.983 1.00 13.22 H new ATOM 1644 N VAL A 104 -0.220 -9.892 -6.399 1.00 41.31 N ATOM 1645 CA VAL A 104 -0.429 -9.507 -7.806 1.00 12.42 C ATOM 1646 C VAL A 104 -0.982 -10.754 -8.526 1.00 20.23 C ATOM 1647 O VAL A 104 -0.501 -11.866 -8.276 1.00 71.10 O ATOM 1648 CB VAL A 104 0.899 -9.006 -8.508 1.00 51.01 C ATOM 1649 CG1 VAL A 104 0.602 -8.410 -9.905 1.00 4.24 C ATOM 1650 CG2 VAL A 104 1.668 -7.982 -7.638 1.00 75.21 C ATOM 0 H VAL A 104 0.320 -10.751 -6.293 1.00 41.31 H new ATOM 0 HA VAL A 104 -1.122 -8.667 -7.856 1.00 12.42 H new ATOM 0 HB VAL A 104 1.538 -9.880 -8.631 1.00 51.01 H new ATOM 0 HG11 VAL A 104 1.533 -8.074 -10.363 1.00 4.24 H new ATOM 0 HG12 VAL A 104 0.142 -9.171 -10.535 1.00 4.24 H new ATOM 0 HG13 VAL A 104 -0.078 -7.564 -9.803 1.00 4.24 H new ATOM 0 HG21 VAL A 104 2.571 -7.667 -8.160 1.00 75.21 H new ATOM 0 HG22 VAL A 104 1.035 -7.114 -7.452 1.00 75.21 H new ATOM 0 HG23 VAL A 104 1.940 -8.443 -6.688 1.00 75.21 H new ATOM 1660 N THR A 105 -2.001 -10.577 -9.386 1.00 14.40 N ATOM 1661 CA THR A 105 -2.659 -11.693 -10.097 1.00 43.21 C ATOM 1662 C THR A 105 -1.678 -12.385 -11.075 1.00 23.45 C ATOM 1663 O THR A 105 -1.631 -13.618 -11.159 1.00 5.14 O ATOM 1664 CB THR A 105 -3.939 -11.199 -10.855 1.00 71.45 C ATOM 1665 OG1 THR A 105 -3.598 -10.097 -11.714 1.00 21.20 O ATOM 1666 CG2 THR A 105 -5.059 -10.760 -9.888 1.00 74.35 C ATOM 0 H THR A 105 -2.392 -9.661 -9.608 1.00 14.40 H new ATOM 0 HA THR A 105 -2.967 -12.426 -9.351 1.00 43.21 H new ATOM 0 HB THR A 105 -4.314 -12.039 -11.440 1.00 71.45 H new ATOM 0 HG1 THR A 105 -3.508 -9.281 -11.179 1.00 21.20 H new ATOM 0 HG21 THR A 105 -5.924 -10.426 -10.461 1.00 74.35 H new ATOM 0 HG22 THR A 105 -5.345 -11.601 -9.256 1.00 74.35 H new ATOM 0 HG23 THR A 105 -4.700 -9.942 -9.263 1.00 74.35 H new