USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 706 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 59 GLN : amide:sc= 0.651 K(o=2.5,f=1.2) USER MOD Set 1.2: A 63 SER OG : rot 57:sc= 1.87 USER MOD Set 2.1: A 58 THR OG1 : rot 180:sc= 1.06 USER MOD Set 2.2: A 61 SER OG : rot 108:sc= 1.17 USER MOD Single : A 18 GLN : amide:sc= 1.22 K(o=1.2,f=-0.33) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -70:sc= 0.689 USER MOD Single : A 29 THR OG1 : rot 172:sc= 1.1 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -76:sc= 1.04 USER MOD Single : A 34 LYS NZ :NH3+ -132:sc= -1.34 (180deg=-1.86!) USER MOD Single : A 37 LYS NZ :NH3+ -173:sc= 0.782 (180deg=0.755) USER MOD Single : A 41 THR OG1 : rot 95:sc= 1.25 USER MOD Single : A 43 ASN : amide:sc= 0.0282 K(o=0.028,f=-0.58) USER MOD Single : A 44 ASN : amide:sc= -0.0214 X(o=-0.021,f=-0.41) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc= -1.31 K(o=-1.3,f=-2!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0.00111 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl -173:sc= -0.0632 (180deg=-0.18) USER MOD Single : A 87 GLN : amide:sc= -0.0252 X(o=-0.025,f=-0.025) USER MOD Single : A 91 ASN : amide:sc= -0.183 K(o=-0.18,f=-2!) USER MOD Single : A 94 HIS : no HE2:sc= 1.03 K(o=1,f=-3.5!) USER MOD Single : A 95 ASN : amide:sc= 0.225 K(o=0.22,f=-1.7) USER MOD Single : A 98 LYS NZ :NH3+ -178:sc= 1.22 (180deg=1.14) USER MOD ----------------------------------------------------------------- ATOM 171 N ILE A 17 -6.631 -13.765 -4.798 1.00 0.00 N ATOM 172 CA ILE A 17 -5.250 -13.297 -4.941 1.00 0.00 C ATOM 173 C ILE A 17 -4.333 -14.467 -5.332 1.00 0.00 C ATOM 174 O ILE A 17 -3.429 -14.306 -6.144 1.00 0.00 O ATOM 175 CB ILE A 17 -4.815 -12.553 -3.643 1.00 0.00 C ATOM 176 CG1 ILE A 17 -3.539 -11.693 -3.777 1.00 0.00 C ATOM 177 CG2 ILE A 17 -4.595 -13.496 -2.447 1.00 0.00 C ATOM 178 CD1 ILE A 17 -3.724 -10.411 -4.590 1.00 0.00 C ATOM 0 HA ILE A 17 -5.170 -12.574 -5.752 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.666 -11.895 -3.467 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.187 -11.429 -2.780 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.758 -12.294 -4.242 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.294 -12.914 -1.576 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.521 -14.026 -2.227 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.814 -14.216 -2.690 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.780 -9.868 -4.634 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.044 -10.664 -5.601 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.480 -9.785 -4.116 1.00 0.00 H new ATOM 190 N GLN A 18 -4.584 -15.667 -4.798 1.00 0.00 N ATOM 191 CA GLN A 18 -3.742 -16.843 -4.987 1.00 0.00 C ATOM 192 C GLN A 18 -3.766 -17.417 -6.413 1.00 0.00 C ATOM 193 O GLN A 18 -2.854 -18.174 -6.749 1.00 0.00 O ATOM 194 CB GLN A 18 -4.126 -17.895 -3.929 1.00 0.00 C ATOM 195 CG GLN A 18 -3.560 -17.467 -2.570 1.00 0.00 C ATOM 196 CD GLN A 18 -3.700 -18.491 -1.445 1.00 0.00 C ATOM 197 OE1 GLN A 18 -4.128 -19.632 -1.631 1.00 0.00 O ATOM 198 NE2 GLN A 18 -3.284 -18.111 -0.251 1.00 0.00 N ATOM 0 H GLN A 18 -5.398 -15.847 -4.210 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.705 -16.535 -4.850 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.210 -17.992 -3.871 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.733 -18.872 -4.210 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.503 -17.233 -2.694 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.057 -16.547 -2.263 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -2.932 -17.164 -0.111 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -3.314 -18.765 0.532 1.00 0.00 H new ATOM 207 N GLU A 19 -4.743 -17.054 -7.245 1.00 0.00 N ATOM 208 CA GLU A 19 -4.825 -17.363 -8.669 1.00 0.00 C ATOM 209 C GLU A 19 -4.157 -16.243 -9.455 1.00 0.00 C ATOM 210 O GLU A 19 -3.329 -16.501 -10.319 1.00 0.00 O ATOM 211 CB GLU A 19 -6.300 -17.498 -9.061 1.00 0.00 C ATOM 212 CG GLU A 19 -6.583 -17.623 -10.568 1.00 0.00 C ATOM 213 CD GLU A 19 -8.091 -17.740 -10.810 1.00 0.00 C ATOM 214 OE1 GLU A 19 -8.698 -18.695 -10.259 1.00 0.00 O ATOM 215 OE2 GLU A 19 -8.691 -16.852 -11.449 1.00 0.00 O ATOM 0 H GLU A 19 -5.541 -16.506 -6.923 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.315 -18.300 -8.891 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.711 -18.374 -8.559 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.839 -16.630 -8.680 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.188 -16.754 -11.094 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.073 -18.498 -10.971 1.00 0.00 H new ATOM 222 N ILE A 20 -4.453 -14.988 -9.128 1.00 0.00 N ATOM 223 CA ILE A 20 -3.846 -13.830 -9.777 1.00 0.00 C ATOM 224 C ILE A 20 -2.310 -13.862 -9.636 1.00 0.00 C ATOM 225 O ILE A 20 -1.582 -13.445 -10.539 1.00 0.00 O ATOM 226 CB ILE A 20 -4.524 -12.573 -9.185 1.00 0.00 C ATOM 227 CG1 ILE A 20 -6.013 -12.452 -9.594 1.00 0.00 C ATOM 228 CG2 ILE A 20 -3.774 -11.290 -9.537 1.00 0.00 C ATOM 229 CD1 ILE A 20 -6.272 -12.410 -11.109 1.00 0.00 C ATOM 0 H ILE A 20 -5.125 -14.745 -8.400 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.012 -13.829 -10.854 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.485 -12.703 -8.103 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -6.560 -13.295 -9.171 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -6.425 -11.548 -9.146 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.289 -10.435 -9.099 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.759 -11.342 -9.144 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -3.738 -11.175 -10.620 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.343 -12.325 -11.293 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.760 -11.551 -11.542 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.897 -13.325 -11.568 1.00 0.00 H new ATOM 241 N VAL A 21 -1.810 -14.394 -8.524 1.00 0.00 N ATOM 242 CA VAL A 21 -0.397 -14.631 -8.255 1.00 0.00 C ATOM 243 C VAL A 21 0.111 -15.846 -9.030 1.00 0.00 C ATOM 244 O VAL A 21 1.268 -15.870 -9.442 1.00 0.00 O ATOM 245 CB VAL A 21 -0.258 -14.843 -6.740 1.00 0.00 C ATOM 246 CG1 VAL A 21 1.124 -15.328 -6.297 1.00 0.00 C ATOM 247 CG2 VAL A 21 -0.573 -13.542 -5.995 1.00 0.00 C ATOM 0 H VAL A 21 -2.408 -14.685 -7.751 1.00 0.00 H new ATOM 0 HA VAL A 21 0.205 -13.782 -8.580 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.971 -15.630 -6.493 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.136 -15.452 -5.214 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.345 -16.283 -6.774 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.877 -14.595 -6.587 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.471 -13.704 -4.922 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.121 -12.764 -6.312 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.593 -13.232 -6.220 1.00 0.00 H new ATOM 257 N ALA A 22 -0.737 -16.854 -9.224 1.00 0.00 N ATOM 258 CA ALA A 22 -0.409 -18.033 -10.024 1.00 0.00 C ATOM 259 C ALA A 22 -0.178 -17.631 -11.486 1.00 0.00 C ATOM 260 O ALA A 22 0.749 -18.117 -12.134 1.00 0.00 O ATOM 261 CB ALA A 22 -1.521 -19.084 -9.877 1.00 0.00 C ATOM 0 H ALA A 22 -1.677 -16.876 -8.828 1.00 0.00 H new ATOM 0 HA ALA A 22 0.517 -18.480 -9.663 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.274 -19.961 -10.474 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.613 -19.372 -8.830 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.466 -18.665 -10.222 1.00 0.00 H new ATOM 267 N MET A 23 -1.000 -16.699 -11.968 1.00 0.00 N ATOM 268 CA MET A 23 -0.957 -16.095 -13.291 1.00 0.00 C ATOM 269 C MET A 23 0.181 -15.074 -13.445 1.00 0.00 C ATOM 270 O MET A 23 0.384 -14.572 -14.553 1.00 0.00 O ATOM 271 CB MET A 23 -2.304 -15.385 -13.528 1.00 0.00 C ATOM 272 CG MET A 23 -3.503 -16.338 -13.548 1.00 0.00 C ATOM 273 SD MET A 23 -3.620 -17.333 -15.053 1.00 0.00 S ATOM 274 CE MET A 23 -5.176 -18.189 -14.711 1.00 0.00 C ATOM 0 H MET A 23 -1.763 -16.324 -11.404 1.00 0.00 H new ATOM 0 HA MET A 23 -0.776 -16.885 -14.020 1.00 0.00 H new ATOM 0 HB2 MET A 23 -2.455 -14.640 -12.747 1.00 0.00 H new ATOM 0 HB3 MET A 23 -2.261 -14.848 -14.476 1.00 0.00 H new ATOM 0 HG2 MET A 23 -3.440 -17.004 -12.687 1.00 0.00 H new ATOM 0 HG3 MET A 23 -4.419 -15.757 -13.436 1.00 0.00 H new ATOM 0 HE1 MET A 23 -5.414 -18.856 -15.540 1.00 0.00 H new ATOM 0 HE2 MET A 23 -5.078 -18.770 -13.794 1.00 0.00 H new ATOM 0 HE3 MET A 23 -5.975 -17.457 -14.593 1.00 0.00 H new ATOM 284 N SER A 24 0.882 -14.702 -12.371 1.00 0.00 N ATOM 285 CA SER A 24 1.917 -13.678 -12.427 1.00 0.00 C ATOM 286 C SER A 24 3.138 -14.217 -13.176 1.00 0.00 C ATOM 287 O SER A 24 3.505 -15.373 -12.952 1.00 0.00 O ATOM 288 CB SER A 24 2.313 -13.296 -11.002 1.00 0.00 C ATOM 289 OG SER A 24 3.301 -12.289 -10.953 1.00 0.00 O ATOM 0 H SER A 24 0.745 -15.103 -11.443 1.00 0.00 H new ATOM 0 HA SER A 24 1.539 -12.801 -12.952 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.428 -12.955 -10.464 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.679 -14.182 -10.483 1.00 0.00 H new ATOM 0 HG SER A 24 4.156 -12.654 -11.264 1.00 0.00 H new ATOM 295 N PRO A 25 3.832 -13.384 -13.970 1.00 0.00 N ATOM 296 CA PRO A 25 5.180 -13.678 -14.434 1.00 0.00 C ATOM 297 C PRO A 25 6.160 -13.638 -13.245 1.00 0.00 C ATOM 298 O PRO A 25 5.754 -13.355 -12.111 1.00 0.00 O ATOM 299 CB PRO A 25 5.457 -12.624 -15.510 1.00 0.00 C ATOM 300 CG PRO A 25 4.627 -11.417 -15.080 1.00 0.00 C ATOM 301 CD PRO A 25 3.451 -12.022 -14.314 1.00 0.00 C ATOM 0 HA PRO A 25 5.299 -14.676 -14.856 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.518 -12.379 -15.563 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.162 -12.978 -16.498 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.205 -10.740 -14.451 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.287 -10.841 -15.941 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.234 -11.442 -13.417 1.00 0.00 H new ATOM 0 HD3 PRO A 25 2.547 -12.015 -14.924 1.00 0.00 H new ATOM 309 N GLU A 26 7.438 -13.942 -13.483 1.00 0.00 N ATOM 310 CA GLU A 26 8.493 -13.929 -12.483 1.00 0.00 C ATOM 311 C GLU A 26 8.731 -12.495 -12.008 1.00 0.00 C ATOM 312 O GLU A 26 9.349 -11.684 -12.702 1.00 0.00 O ATOM 313 CB GLU A 26 9.773 -14.600 -13.032 1.00 0.00 C ATOM 314 CG GLU A 26 10.205 -15.694 -12.072 1.00 0.00 C ATOM 315 CD GLU A 26 11.362 -16.578 -12.519 1.00 0.00 C ATOM 316 OE1 GLU A 26 11.081 -17.572 -13.227 1.00 0.00 O ATOM 317 OE2 GLU A 26 12.514 -16.410 -12.050 1.00 0.00 O ATOM 0 H GLU A 26 7.771 -14.212 -14.408 1.00 0.00 H new ATOM 0 HA GLU A 26 8.188 -14.515 -11.616 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.585 -15.019 -14.021 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.567 -13.862 -13.144 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.479 -15.228 -11.126 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.344 -16.333 -11.875 1.00 0.00 H new ATOM 324 N LEU A 27 8.194 -12.164 -10.836 1.00 0.00 N ATOM 325 CA LEU A 27 8.221 -10.828 -10.269 1.00 0.00 C ATOM 326 C LEU A 27 9.427 -10.710 -9.359 1.00 0.00 C ATOM 327 O LEU A 27 9.595 -11.471 -8.405 1.00 0.00 O ATOM 328 CB LEU A 27 6.893 -10.538 -9.583 1.00 0.00 C ATOM 329 CG LEU A 27 6.080 -9.494 -10.360 1.00 0.00 C ATOM 330 CD1 LEU A 27 5.813 -9.896 -11.810 1.00 0.00 C ATOM 331 CD2 LEU A 27 4.761 -9.383 -9.618 1.00 0.00 C ATOM 0 H LEU A 27 7.716 -12.841 -10.242 1.00 0.00 H new ATOM 0 HA LEU A 27 8.332 -10.066 -11.041 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.317 -11.459 -9.496 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.075 -10.180 -8.570 1.00 0.00 H new ATOM 0 HG LEU A 27 6.634 -8.557 -10.410 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.234 -9.115 -12.303 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.761 -10.029 -12.331 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.253 -10.831 -11.831 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.124 -8.652 -10.116 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.264 -10.353 -9.612 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.946 -9.064 -8.592 1.00 0.00 H new ATOM 343 N ASP A 28 10.319 -9.791 -9.713 1.00 0.00 N ATOM 344 CA ASP A 28 11.707 -9.886 -9.319 1.00 0.00 C ATOM 345 C ASP A 28 11.902 -9.294 -7.928 1.00 0.00 C ATOM 346 O ASP A 28 12.019 -8.077 -7.756 1.00 0.00 O ATOM 347 CB ASP A 28 12.593 -9.225 -10.380 1.00 0.00 C ATOM 348 CG ASP A 28 13.984 -9.852 -10.438 1.00 0.00 C ATOM 349 OD1 ASP A 28 14.238 -10.908 -9.824 1.00 0.00 O ATOM 350 OD2 ASP A 28 14.868 -9.238 -11.065 1.00 0.00 O ATOM 0 H ASP A 28 10.097 -8.970 -10.276 1.00 0.00 H new ATOM 0 HA ASP A 28 12.007 -10.932 -9.257 1.00 0.00 H new ATOM 0 HB2 ASP A 28 12.116 -9.312 -11.356 1.00 0.00 H new ATOM 0 HB3 ASP A 28 12.684 -8.161 -10.164 1.00 0.00 H new ATOM 355 N THR A 29 11.852 -10.158 -6.916 1.00 0.00 N ATOM 356 CA THR A 29 11.583 -9.790 -5.532 1.00 0.00 C ATOM 357 C THR A 29 12.506 -8.676 -5.024 1.00 0.00 C ATOM 358 O THR A 29 12.051 -7.743 -4.359 1.00 0.00 O ATOM 359 CB THR A 29 11.616 -11.052 -4.645 1.00 0.00 C ATOM 360 OG1 THR A 29 12.866 -11.735 -4.689 1.00 0.00 O ATOM 361 CG2 THR A 29 10.523 -12.046 -5.052 1.00 0.00 C ATOM 0 H THR A 29 12.002 -11.159 -7.042 1.00 0.00 H new ATOM 0 HA THR A 29 10.581 -9.364 -5.478 1.00 0.00 H new ATOM 0 HB THR A 29 11.450 -10.691 -3.630 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.876 -12.443 -4.011 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.572 -12.924 -4.409 1.00 0.00 H new ATOM 0 HG22 THR A 29 9.546 -11.575 -4.948 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.673 -12.347 -6.089 1.00 0.00 H new ATOM 369 N TYR A 30 13.800 -8.733 -5.333 1.00 0.00 N ATOM 370 CA TYR A 30 14.779 -7.756 -4.895 1.00 0.00 C ATOM 371 C TYR A 30 14.561 -6.381 -5.508 1.00 0.00 C ATOM 372 O TYR A 30 14.713 -5.361 -4.839 1.00 0.00 O ATOM 373 CB TYR A 30 16.159 -8.270 -5.290 1.00 0.00 C ATOM 374 CG TYR A 30 17.255 -7.781 -4.387 1.00 0.00 C ATOM 375 CD1 TYR A 30 17.154 -8.032 -3.009 1.00 0.00 C ATOM 376 CD2 TYR A 30 18.368 -7.109 -4.924 1.00 0.00 C ATOM 377 CE1 TYR A 30 18.202 -7.650 -2.157 1.00 0.00 C ATOM 378 CE2 TYR A 30 19.426 -6.731 -4.074 1.00 0.00 C ATOM 379 CZ TYR A 30 19.350 -7.018 -2.687 1.00 0.00 C ATOM 380 OH TYR A 30 20.349 -6.663 -1.843 1.00 0.00 O ATOM 0 H TYR A 30 14.199 -9.476 -5.906 1.00 0.00 H new ATOM 0 HA TYR A 30 14.682 -7.637 -3.816 1.00 0.00 H new ATOM 0 HB2 TYR A 30 16.149 -9.360 -5.281 1.00 0.00 H new ATOM 0 HB3 TYR A 30 16.375 -7.961 -6.313 1.00 0.00 H new ATOM 0 HD1 TYR A 30 16.276 -8.516 -2.607 1.00 0.00 H new ATOM 0 HD2 TYR A 30 18.411 -6.885 -5.980 1.00 0.00 H new ATOM 0 HE1 TYR A 30 18.131 -7.839 -1.096 1.00 0.00 H new ATOM 0 HE2 TYR A 30 20.291 -6.225 -4.477 1.00 0.00 H new ATOM 0 HH TYR A 30 21.072 -6.240 -2.352 1.00 0.00 H new ATOM 390 N SER A 31 14.219 -6.347 -6.790 1.00 0.00 N ATOM 391 CA SER A 31 13.934 -5.101 -7.477 1.00 0.00 C ATOM 392 C SER A 31 12.614 -4.539 -6.952 1.00 0.00 C ATOM 393 O SER A 31 12.599 -3.376 -6.561 1.00 0.00 O ATOM 394 CB SER A 31 13.994 -5.392 -8.979 1.00 0.00 C ATOM 395 OG SER A 31 13.785 -4.248 -9.776 1.00 0.00 O ATOM 0 H SER A 31 14.133 -7.177 -7.376 1.00 0.00 H new ATOM 0 HA SER A 31 14.662 -4.312 -7.287 1.00 0.00 H new ATOM 0 HB2 SER A 31 14.966 -5.822 -9.220 1.00 0.00 H new ATOM 0 HB3 SER A 31 13.243 -6.142 -9.227 1.00 0.00 H new ATOM 0 HG SER A 31 13.836 -4.495 -10.723 1.00 0.00 H new ATOM 401 N ILE A 32 11.557 -5.350 -6.815 1.00 0.00 N ATOM 402 CA ILE A 32 10.268 -4.910 -6.273 1.00 0.00 C ATOM 403 C ILE A 32 10.475 -4.320 -4.880 1.00 0.00 C ATOM 404 O ILE A 32 10.131 -3.164 -4.661 1.00 0.00 O ATOM 405 CB ILE A 32 9.231 -6.059 -6.297 1.00 0.00 C ATOM 406 CG1 ILE A 32 8.934 -6.407 -7.766 1.00 0.00 C ATOM 407 CG2 ILE A 32 7.917 -5.720 -5.554 1.00 0.00 C ATOM 408 CD1 ILE A 32 8.169 -7.715 -7.910 1.00 0.00 C ATOM 0 H ILE A 32 11.574 -6.335 -7.079 1.00 0.00 H new ATOM 0 HA ILE A 32 9.855 -4.124 -6.905 1.00 0.00 H new ATOM 0 HB ILE A 32 9.661 -6.908 -5.767 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.357 -5.600 -8.218 1.00 0.00 H new ATOM 0 HG13 ILE A 32 9.872 -6.475 -8.317 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.237 -6.570 -5.611 1.00 0.00 H new ATOM 0 HG22 ILE A 32 8.136 -5.500 -4.509 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.451 -4.850 -6.017 1.00 0.00 H new ATOM 0 HD11 ILE A 32 7.985 -7.914 -8.966 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.756 -8.529 -7.484 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.218 -7.640 -7.384 1.00 0.00 H new ATOM 420 N THR A 33 11.039 -5.077 -3.935 1.00 0.00 N ATOM 421 CA THR A 33 11.213 -4.607 -2.559 1.00 0.00 C ATOM 422 C THR A 33 11.941 -3.266 -2.520 1.00 0.00 C ATOM 423 O THR A 33 11.532 -2.372 -1.790 1.00 0.00 O ATOM 424 CB THR A 33 11.976 -5.635 -1.710 1.00 0.00 C ATOM 425 OG1 THR A 33 13.129 -6.099 -2.376 1.00 0.00 O ATOM 426 CG2 THR A 33 11.131 -6.858 -1.382 1.00 0.00 C ATOM 0 H THR A 33 11.384 -6.023 -4.100 1.00 0.00 H new ATOM 0 HA THR A 33 10.216 -4.477 -2.138 1.00 0.00 H new ATOM 0 HB THR A 33 12.241 -5.110 -0.792 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.869 -6.735 -3.075 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.716 -7.554 -0.781 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.247 -6.550 -0.824 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.824 -7.347 -2.307 1.00 0.00 H new ATOM 434 N LYS A 34 13.019 -3.136 -3.292 1.00 0.00 N ATOM 435 CA LYS A 34 13.763 -1.897 -3.465 1.00 0.00 C ATOM 436 C LYS A 34 12.847 -0.797 -3.966 1.00 0.00 C ATOM 437 O LYS A 34 12.613 0.152 -3.232 1.00 0.00 O ATOM 438 CB LYS A 34 14.995 -2.151 -4.346 1.00 0.00 C ATOM 439 CG LYS A 34 16.123 -2.643 -3.424 1.00 0.00 C ATOM 440 CD LYS A 34 17.519 -2.731 -4.046 1.00 0.00 C ATOM 441 CE LYS A 34 17.644 -3.838 -5.092 1.00 0.00 C ATOM 442 NZ LYS A 34 17.044 -3.451 -6.379 1.00 0.00 N ATOM 0 H LYS A 34 13.406 -3.913 -3.827 1.00 0.00 H new ATOM 0 HA LYS A 34 14.145 -1.542 -2.508 1.00 0.00 H new ATOM 0 HB2 LYS A 34 14.773 -2.894 -5.112 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.292 -1.239 -4.863 1.00 0.00 H new ATOM 0 HG2 LYS A 34 16.174 -1.978 -2.562 1.00 0.00 H new ATOM 0 HG3 LYS A 34 15.853 -3.630 -3.050 1.00 0.00 H new ATOM 0 HD2 LYS A 34 17.765 -1.775 -4.508 1.00 0.00 H new ATOM 0 HD3 LYS A 34 18.251 -2.902 -3.257 1.00 0.00 H new ATOM 0 HE2 LYS A 34 18.697 -4.079 -5.241 1.00 0.00 H new ATOM 0 HE3 LYS A 34 17.159 -4.742 -4.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.429 -4.217 -6.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 16.481 -2.586 -6.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 17.797 -3.276 -7.075 1.00 0.00 H new ATOM 456 N ARG A 35 12.274 -0.940 -5.157 1.00 0.00 N ATOM 457 CA ARG A 35 11.412 0.060 -5.772 1.00 0.00 C ATOM 458 C ARG A 35 10.310 0.506 -4.804 1.00 0.00 C ATOM 459 O ARG A 35 10.031 1.696 -4.735 1.00 0.00 O ATOM 460 CB ARG A 35 10.895 -0.539 -7.095 1.00 0.00 C ATOM 461 CG ARG A 35 10.606 0.465 -8.221 1.00 0.00 C ATOM 462 CD ARG A 35 9.190 1.015 -8.104 1.00 0.00 C ATOM 463 NE ARG A 35 8.723 1.704 -9.313 1.00 0.00 N ATOM 464 CZ ARG A 35 8.293 1.179 -10.470 1.00 0.00 C ATOM 465 NH1 ARG A 35 8.214 -0.133 -10.661 1.00 0.00 N ATOM 466 NH2 ARG A 35 7.939 1.985 -11.462 1.00 0.00 N ATOM 0 H ARG A 35 12.400 -1.773 -5.733 1.00 0.00 H new ATOM 0 HA ARG A 35 11.953 0.978 -6.001 1.00 0.00 H new ATOM 0 HB2 ARG A 35 11.629 -1.259 -7.457 1.00 0.00 H new ATOM 0 HB3 ARG A 35 9.980 -1.094 -6.887 1.00 0.00 H new ATOM 0 HG2 ARG A 35 11.324 1.284 -8.177 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.734 -0.020 -9.189 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.509 0.195 -7.878 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.147 1.707 -7.263 1.00 0.00 H new ATOM 0 HE ARG A 35 8.726 2.723 -9.267 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.485 -0.774 -9.915 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.883 -0.499 -11.553 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.995 2.996 -11.342 1.00 0.00 H new ATOM 0 HH22 ARG A 35 7.611 1.593 -12.345 1.00 0.00 H new ATOM 480 N VAL A 36 9.739 -0.414 -4.020 1.00 0.00 N ATOM 481 CA VAL A 36 8.752 -0.151 -2.978 1.00 0.00 C ATOM 482 C VAL A 36 9.356 0.716 -1.872 1.00 0.00 C ATOM 483 O VAL A 36 8.823 1.781 -1.569 1.00 0.00 O ATOM 484 CB VAL A 36 8.229 -1.501 -2.444 1.00 0.00 C ATOM 485 CG1 VAL A 36 7.436 -1.367 -1.140 1.00 0.00 C ATOM 486 CG2 VAL A 36 7.300 -2.190 -3.452 1.00 0.00 C ATOM 0 H VAL A 36 9.965 -1.405 -4.101 1.00 0.00 H new ATOM 0 HA VAL A 36 7.911 0.410 -3.386 1.00 0.00 H new ATOM 0 HB VAL A 36 9.129 -2.090 -2.270 1.00 0.00 H new ATOM 0 HG11 VAL A 36 7.096 -2.351 -0.818 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.073 -0.933 -0.370 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.573 -0.721 -1.304 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.953 -3.137 -3.039 1.00 0.00 H new ATOM 0 HG22 VAL A 36 6.443 -1.547 -3.656 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.843 -2.376 -4.379 1.00 0.00 H new ATOM 496 N LYS A 37 10.433 0.250 -1.233 1.00 0.00 N ATOM 497 CA LYS A 37 11.086 0.943 -0.125 1.00 0.00 C ATOM 498 C LYS A 37 11.451 2.360 -0.520 1.00 0.00 C ATOM 499 O LYS A 37 11.297 3.258 0.305 1.00 0.00 O ATOM 500 CB LYS A 37 12.375 0.220 0.256 1.00 0.00 C ATOM 501 CG LYS A 37 12.151 -1.029 1.106 1.00 0.00 C ATOM 502 CD LYS A 37 13.485 -1.743 1.362 1.00 0.00 C ATOM 503 CE LYS A 37 14.081 -2.338 0.083 1.00 0.00 C ATOM 504 NZ LYS A 37 15.237 -3.219 0.345 1.00 0.00 N ATOM 0 H LYS A 37 10.881 -0.633 -1.477 1.00 0.00 H new ATOM 0 HA LYS A 37 10.390 0.957 0.714 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.906 -0.061 -0.654 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.020 0.909 0.802 1.00 0.00 H new ATOM 0 HG2 LYS A 37 11.690 -0.754 2.054 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.461 -1.703 0.599 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.194 -1.038 1.797 1.00 0.00 H new ATOM 0 HD3 LYS A 37 13.335 -2.537 2.094 1.00 0.00 H new ATOM 0 HE2 LYS A 37 13.311 -2.903 -0.442 1.00 0.00 H new ATOM 0 HE3 LYS A 37 14.390 -1.529 -0.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 15.672 -3.498 -0.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 15.936 -2.712 0.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 14.918 -4.069 0.853 1.00 0.00 H new ATOM 518 N GLU A 38 11.927 2.550 -1.747 1.00 0.00 N ATOM 519 CA GLU A 38 12.246 3.866 -2.265 1.00 0.00 C ATOM 520 C GLU A 38 10.998 4.748 -2.209 1.00 0.00 C ATOM 521 O GLU A 38 11.064 5.766 -1.535 1.00 0.00 O ATOM 522 CB GLU A 38 12.869 3.781 -3.663 1.00 0.00 C ATOM 523 CG GLU A 38 14.214 3.039 -3.691 1.00 0.00 C ATOM 524 CD GLU A 38 15.285 3.642 -2.786 1.00 0.00 C ATOM 525 OE1 GLU A 38 15.353 3.254 -1.598 1.00 0.00 O ATOM 526 OE2 GLU A 38 16.111 4.449 -3.275 1.00 0.00 O ATOM 0 H GLU A 38 12.101 1.792 -2.407 1.00 0.00 H new ATOM 0 HA GLU A 38 13.007 4.333 -1.639 1.00 0.00 H new ATOM 0 HB2 GLU A 38 12.172 3.278 -4.333 1.00 0.00 H new ATOM 0 HB3 GLU A 38 13.012 4.790 -4.050 1.00 0.00 H new ATOM 0 HG2 GLU A 38 14.049 2.002 -3.398 1.00 0.00 H new ATOM 0 HG3 GLU A 38 14.586 3.025 -4.715 1.00 0.00 H new ATOM 533 N VAL A 39 9.856 4.346 -2.796 1.00 0.00 N ATOM 534 CA VAL A 39 8.606 5.129 -2.746 1.00 0.00 C ATOM 535 C VAL A 39 8.253 5.506 -1.303 1.00 0.00 C ATOM 536 O VAL A 39 7.879 6.652 -1.038 1.00 0.00 O ATOM 537 CB VAL A 39 7.418 4.384 -3.416 1.00 0.00 C ATOM 538 CG1 VAL A 39 6.089 5.157 -3.334 1.00 0.00 C ATOM 539 CG2 VAL A 39 7.666 4.126 -4.904 1.00 0.00 C ATOM 0 H VAL A 39 9.773 3.473 -3.317 1.00 0.00 H new ATOM 0 HA VAL A 39 8.783 6.042 -3.315 1.00 0.00 H new ATOM 0 HB VAL A 39 7.345 3.452 -2.856 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.302 4.581 -3.821 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.826 5.319 -2.289 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.196 6.119 -3.835 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.810 3.603 -5.330 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.805 5.076 -5.420 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.560 3.514 -5.023 1.00 0.00 H new ATOM 549 N LEU A 40 8.342 4.546 -0.378 1.00 0.00 N ATOM 550 CA LEU A 40 7.975 4.773 1.013 1.00 0.00 C ATOM 551 C LEU A 40 8.922 5.767 1.673 1.00 0.00 C ATOM 552 O LEU A 40 8.467 6.615 2.435 1.00 0.00 O ATOM 553 CB LEU A 40 7.972 3.457 1.810 1.00 0.00 C ATOM 554 CG LEU A 40 6.965 2.411 1.304 1.00 0.00 C ATOM 555 CD1 LEU A 40 7.173 1.111 2.081 1.00 0.00 C ATOM 556 CD2 LEU A 40 5.517 2.887 1.454 1.00 0.00 C ATOM 0 H LEU A 40 8.668 3.600 -0.575 1.00 0.00 H new ATOM 0 HA LEU A 40 6.967 5.188 1.017 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.972 3.025 1.779 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.753 3.679 2.854 1.00 0.00 H new ATOM 0 HG LEU A 40 7.141 2.251 0.240 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.464 0.361 1.731 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.190 0.751 1.923 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.014 1.293 3.144 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.841 2.117 1.084 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.305 3.082 2.505 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.373 3.802 0.880 1.00 0.00 H new ATOM 568 N THR A 41 10.218 5.668 1.402 1.00 0.00 N ATOM 569 CA THR A 41 11.226 6.564 1.922 1.00 0.00 C ATOM 570 C THR A 41 10.972 7.975 1.377 1.00 0.00 C ATOM 571 O THR A 41 10.887 8.927 2.158 1.00 0.00 O ATOM 572 CB THR A 41 12.596 5.989 1.534 1.00 0.00 C ATOM 573 OG1 THR A 41 12.740 4.678 2.070 1.00 0.00 O ATOM 574 CG2 THR A 41 13.725 6.876 2.032 1.00 0.00 C ATOM 0 H THR A 41 10.600 4.940 0.798 1.00 0.00 H new ATOM 0 HA THR A 41 11.193 6.647 3.008 1.00 0.00 H new ATOM 0 HB THR A 41 12.651 5.947 0.446 1.00 0.00 H new ATOM 0 HG1 THR A 41 12.477 4.018 1.395 1.00 0.00 H new ATOM 0 HG21 THR A 41 14.683 6.443 1.742 1.00 0.00 H new ATOM 0 HG22 THR A 41 13.628 7.869 1.593 1.00 0.00 H new ATOM 0 HG23 THR A 41 13.675 6.953 3.118 1.00 0.00 H new ATOM 582 N ASP A 42 10.802 8.093 0.058 1.00 0.00 N ATOM 583 CA ASP A 42 10.560 9.321 -0.703 1.00 0.00 C ATOM 584 C ASP A 42 9.419 10.109 -0.070 1.00 0.00 C ATOM 585 O ASP A 42 9.526 11.305 0.190 1.00 0.00 O ATOM 586 CB ASP A 42 10.173 8.946 -2.148 1.00 0.00 C ATOM 587 CG ASP A 42 10.913 9.706 -3.236 1.00 0.00 C ATOM 588 OD1 ASP A 42 11.022 10.950 -3.164 1.00 0.00 O ATOM 589 OD2 ASP A 42 11.314 9.040 -4.213 1.00 0.00 O ATOM 0 H ASP A 42 10.832 7.274 -0.550 1.00 0.00 H new ATOM 0 HA ASP A 42 11.463 9.932 -0.701 1.00 0.00 H new ATOM 0 HB2 ASP A 42 10.349 7.880 -2.289 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.103 9.112 -2.275 1.00 0.00 H new ATOM 594 N ASN A 43 8.330 9.395 0.220 1.00 0.00 N ATOM 595 CA ASN A 43 7.044 9.953 0.626 1.00 0.00 C ATOM 596 C ASN A 43 6.848 9.898 2.145 1.00 0.00 C ATOM 597 O ASN A 43 5.740 10.144 2.625 1.00 0.00 O ATOM 598 CB ASN A 43 5.913 9.260 -0.152 1.00 0.00 C ATOM 599 CG ASN A 43 5.957 9.637 -1.626 1.00 0.00 C ATOM 600 OD1 ASN A 43 5.479 10.700 -2.017 1.00 0.00 O ATOM 601 ND2 ASN A 43 6.541 8.795 -2.460 1.00 0.00 N ATOM 0 H ASN A 43 8.322 8.376 0.176 1.00 0.00 H new ATOM 0 HA ASN A 43 7.022 11.013 0.373 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.003 8.179 -0.046 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.949 9.543 0.271 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.603 9.021 -3.453 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.930 7.919 -2.111 1.00 0.00 H new ATOM 608 N ASN A 44 7.920 9.595 2.890 1.00 0.00 N ATOM 609 CA ASN A 44 8.021 9.586 4.351 1.00 0.00 C ATOM 610 C ASN A 44 6.941 8.738 5.014 1.00 0.00 C ATOM 611 O ASN A 44 6.261 9.166 5.955 1.00 0.00 O ATOM 612 CB ASN A 44 8.116 11.024 4.891 1.00 0.00 C ATOM 613 CG ASN A 44 9.446 11.640 4.482 1.00 0.00 C ATOM 614 OD1 ASN A 44 10.488 11.042 4.734 1.00 0.00 O ATOM 615 ND2 ASN A 44 9.463 12.805 3.864 1.00 0.00 N ATOM 0 H ASN A 44 8.803 9.331 2.452 1.00 0.00 H new ATOM 0 HA ASN A 44 8.950 9.087 4.626 1.00 0.00 H new ATOM 0 HB2 ASN A 44 7.292 11.623 4.503 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.024 11.021 5.977 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.352 13.223 3.588 1.00 0.00 H new ATOM 0 HD22 ASN A 44 8.588 13.288 3.662 1.00 0.00 H new ATOM 622 N LEU A 45 6.793 7.509 4.526 1.00 0.00 N ATOM 623 CA LEU A 45 5.792 6.538 4.939 1.00 0.00 C ATOM 624 C LEU A 45 6.422 5.449 5.791 1.00 0.00 C ATOM 625 O LEU A 45 7.607 5.124 5.653 1.00 0.00 O ATOM 626 CB LEU A 45 5.152 5.906 3.696 1.00 0.00 C ATOM 627 CG LEU A 45 4.316 6.922 2.907 1.00 0.00 C ATOM 628 CD1 LEU A 45 4.170 6.479 1.456 1.00 0.00 C ATOM 629 CD2 LEU A 45 2.943 7.137 3.547 1.00 0.00 C ATOM 0 H LEU A 45 7.403 7.148 3.792 1.00 0.00 H new ATOM 0 HA LEU A 45 5.032 7.049 5.530 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.932 5.499 3.052 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.520 5.071 3.997 1.00 0.00 H new ATOM 0 HG LEU A 45 4.842 7.876 2.930 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.574 7.211 0.910 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.156 6.400 0.999 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.675 5.509 1.420 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.378 7.863 2.962 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.401 6.191 3.573 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.070 7.510 4.563 1.00 0.00 H new ATOM 641 N GLY A 46 5.598 4.841 6.642 1.00 0.00 N ATOM 642 CA GLY A 46 5.963 3.684 7.432 1.00 0.00 C ATOM 643 C GLY A 46 5.829 2.425 6.594 1.00 0.00 C ATOM 644 O GLY A 46 4.737 2.144 6.096 1.00 0.00 O ATOM 0 H GLY A 46 4.639 5.151 6.799 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.987 3.786 7.791 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.323 3.616 8.311 1.00 0.00 H new ATOM 648 N GLN A 47 6.903 1.627 6.531 1.00 0.00 N ATOM 649 CA GLN A 47 6.866 0.237 6.072 1.00 0.00 C ATOM 650 C GLN A 47 5.686 -0.503 6.691 1.00 0.00 C ATOM 651 O GLN A 47 4.998 -1.235 5.990 1.00 0.00 O ATOM 652 CB GLN A 47 8.173 -0.483 6.446 1.00 0.00 C ATOM 653 CG GLN A 47 9.285 -0.212 5.433 1.00 0.00 C ATOM 654 CD GLN A 47 10.666 -0.444 6.032 1.00 0.00 C ATOM 655 OE1 GLN A 47 11.160 0.399 6.772 1.00 0.00 O ATOM 656 NE2 GLN A 47 11.305 -1.572 5.766 1.00 0.00 N ATOM 0 H GLN A 47 7.836 1.937 6.803 1.00 0.00 H new ATOM 0 HA GLN A 47 6.753 0.242 4.988 1.00 0.00 H new ATOM 0 HB2 GLN A 47 8.496 -0.158 7.435 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.991 -1.556 6.507 1.00 0.00 H new ATOM 0 HG2 GLN A 47 9.152 -0.859 4.566 1.00 0.00 H new ATOM 0 HG3 GLN A 47 9.211 0.816 5.078 1.00 0.00 H new ATOM 0 HE21 GLN A 47 10.882 -2.265 5.148 1.00 0.00 H new ATOM 0 HE22 GLN A 47 12.221 -1.749 6.179 1.00 0.00 H new ATOM 665 N ARG A 48 5.442 -0.293 7.991 1.00 0.00 N ATOM 666 CA ARG A 48 4.325 -0.888 8.707 1.00 0.00 C ATOM 667 C ARG A 48 3.008 -0.653 7.975 1.00 0.00 C ATOM 668 O ARG A 48 2.304 -1.607 7.713 1.00 0.00 O ATOM 669 CB ARG A 48 4.273 -0.343 10.142 1.00 0.00 C ATOM 670 CG ARG A 48 3.112 -0.970 10.924 1.00 0.00 C ATOM 671 CD ARG A 48 3.014 -0.399 12.337 1.00 0.00 C ATOM 672 NE ARG A 48 1.691 -0.707 12.882 1.00 0.00 N ATOM 673 CZ ARG A 48 1.066 -0.105 13.890 1.00 0.00 C ATOM 674 NH1 ARG A 48 1.686 0.813 14.625 1.00 0.00 N ATOM 675 NH2 ARG A 48 -0.190 -0.443 14.122 1.00 0.00 N ATOM 0 H ARG A 48 6.027 0.304 8.575 1.00 0.00 H new ATOM 0 HA ARG A 48 4.477 -1.966 8.752 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.214 -0.554 10.650 1.00 0.00 H new ATOM 0 HB3 ARG A 48 4.158 0.741 10.120 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.177 -0.792 10.393 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.249 -2.050 10.976 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.791 -0.826 12.971 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.173 0.679 12.320 1.00 0.00 H new ATOM 0 HE ARG A 48 1.189 -1.474 12.436 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.653 1.064 14.419 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.195 1.267 15.395 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -0.646 -1.143 13.537 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -0.704 -0.004 14.886 1.00 0.00 H new ATOM 689 N LEU A 49 2.647 0.596 7.687 1.00 0.00 N ATOM 690 CA LEU A 49 1.337 0.971 7.171 1.00 0.00 C ATOM 691 C LEU A 49 1.129 0.364 5.799 1.00 0.00 C ATOM 692 O LEU A 49 0.134 -0.315 5.568 1.00 0.00 O ATOM 693 CB LEU A 49 1.306 2.500 7.117 1.00 0.00 C ATOM 694 CG LEU A 49 -0.105 3.082 7.203 1.00 0.00 C ATOM 695 CD1 LEU A 49 0.029 4.536 7.638 1.00 0.00 C ATOM 696 CD2 LEU A 49 -0.871 3.035 5.904 1.00 0.00 C ATOM 0 H LEU A 49 3.273 1.392 7.810 1.00 0.00 H new ATOM 0 HA LEU A 49 0.533 0.601 7.807 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.905 2.897 7.936 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.773 2.833 6.190 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.669 2.474 7.911 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.961 4.987 7.711 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.521 4.581 8.610 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.623 5.082 6.905 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.861 3.466 6.050 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.335 3.605 5.145 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.971 2.000 5.578 1.00 0.00 H new ATOM 708 N PHE A 50 2.096 0.584 4.914 1.00 0.00 N ATOM 709 CA PHE A 50 2.200 -0.127 3.644 1.00 0.00 C ATOM 710 C PHE A 50 1.931 -1.625 3.826 1.00 0.00 C ATOM 711 O PHE A 50 1.070 -2.199 3.159 1.00 0.00 O ATOM 712 CB PHE A 50 3.595 0.115 3.064 1.00 0.00 C ATOM 713 CG PHE A 50 3.916 -0.783 1.885 1.00 0.00 C ATOM 714 CD1 PHE A 50 3.367 -0.484 0.626 1.00 0.00 C ATOM 715 CD2 PHE A 50 4.713 -1.939 2.051 1.00 0.00 C ATOM 716 CE1 PHE A 50 3.634 -1.318 -0.466 1.00 0.00 C ATOM 717 CE2 PHE A 50 4.978 -2.778 0.951 1.00 0.00 C ATOM 718 CZ PHE A 50 4.448 -2.445 -0.306 1.00 0.00 C ATOM 0 H PHE A 50 2.838 1.269 5.060 1.00 0.00 H new ATOM 0 HA PHE A 50 1.446 0.249 2.952 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.676 1.156 2.752 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.339 -0.042 3.845 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.741 0.387 0.502 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.119 -2.179 3.023 1.00 0.00 H new ATOM 0 HE1 PHE A 50 3.211 -1.091 -1.434 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.581 -3.666 1.073 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.671 -3.067 -1.160 1.00 0.00 H new ATOM 728 N GLY A 51 2.654 -2.253 4.749 1.00 0.00 N ATOM 729 CA GLY A 51 2.554 -3.672 4.996 1.00 0.00 C ATOM 730 C GLY A 51 1.300 -4.082 5.740 1.00 0.00 C ATOM 731 O GLY A 51 1.026 -5.264 5.746 1.00 0.00 O ATOM 0 H GLY A 51 3.330 -1.779 5.348 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.587 -4.199 4.043 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.425 -3.993 5.568 1.00 0.00 H new ATOM 735 N GLU A 52 0.535 -3.185 6.350 1.00 0.00 N ATOM 736 CA GLU A 52 -0.725 -3.488 7.012 1.00 0.00 C ATOM 737 C GLU A 52 -1.866 -3.381 5.996 1.00 0.00 C ATOM 738 O GLU A 52 -2.750 -4.236 5.965 1.00 0.00 O ATOM 739 CB GLU A 52 -0.969 -2.491 8.153 1.00 0.00 C ATOM 740 CG GLU A 52 -0.354 -2.844 9.517 1.00 0.00 C ATOM 741 CD GLU A 52 -1.000 -2.055 10.667 1.00 0.00 C ATOM 742 OE1 GLU A 52 -2.076 -1.451 10.484 1.00 0.00 O ATOM 743 OE2 GLU A 52 -0.474 -2.043 11.809 1.00 0.00 O ATOM 0 H GLU A 52 0.783 -2.197 6.398 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.683 -4.498 7.420 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.582 -1.520 7.846 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.045 -2.378 8.283 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.471 -3.912 9.701 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.716 -2.640 9.495 1.00 0.00 H new ATOM 750 N SER A 53 -1.850 -2.311 5.200 1.00 0.00 N ATOM 751 CA SER A 53 -2.830 -1.981 4.185 1.00 0.00 C ATOM 752 C SER A 53 -2.712 -2.955 3.018 1.00 0.00 C ATOM 753 O SER A 53 -3.621 -3.749 2.773 1.00 0.00 O ATOM 754 CB SER A 53 -2.577 -0.542 3.714 1.00 0.00 C ATOM 755 OG SER A 53 -2.913 0.401 4.709 1.00 0.00 O ATOM 0 H SER A 53 -1.106 -1.616 5.256 1.00 0.00 H new ATOM 0 HA SER A 53 -3.838 -2.059 4.593 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.527 -0.427 3.444 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.161 -0.346 2.815 1.00 0.00 H new ATOM 0 HG SER A 53 -2.738 1.305 4.375 1.00 0.00 H new ATOM 761 N ILE A 54 -1.611 -2.851 2.270 1.00 0.00 N ATOM 762 CA ILE A 54 -1.450 -3.527 0.994 1.00 0.00 C ATOM 763 C ILE A 54 -1.250 -4.998 1.296 1.00 0.00 C ATOM 764 O ILE A 54 -1.930 -5.843 0.720 1.00 0.00 O ATOM 765 CB ILE A 54 -0.271 -2.935 0.186 1.00 0.00 C ATOM 766 CG1 ILE A 54 -0.289 -1.392 0.151 1.00 0.00 C ATOM 767 CG2 ILE A 54 -0.217 -3.505 -1.247 1.00 0.00 C ATOM 768 CD1 ILE A 54 -1.616 -0.754 -0.283 1.00 0.00 C ATOM 0 H ILE A 54 -0.804 -2.289 2.541 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.332 -3.388 0.369 1.00 0.00 H new ATOM 0 HB ILE A 54 0.634 -3.238 0.712 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.036 -1.021 1.144 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.495 -1.053 -0.526 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.624 -3.065 -1.782 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.093 -4.587 -1.204 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.144 -3.266 -1.769 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.518 0.332 -0.273 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.867 -1.086 -1.290 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.406 -1.054 0.405 1.00 0.00 H new ATOM 780 N LEU A 55 -0.298 -5.314 2.180 1.00 0.00 N ATOM 781 CA LEU A 55 0.028 -6.705 2.441 1.00 0.00 C ATOM 782 C LEU A 55 -0.975 -7.269 3.446 1.00 0.00 C ATOM 783 O LEU A 55 -1.900 -7.973 3.048 1.00 0.00 O ATOM 784 CB LEU A 55 1.521 -6.853 2.779 1.00 0.00 C ATOM 785 CG LEU A 55 2.436 -6.239 1.691 1.00 0.00 C ATOM 786 CD1 LEU A 55 3.881 -6.655 1.944 1.00 0.00 C ATOM 787 CD2 LEU A 55 2.028 -6.609 0.260 1.00 0.00 C ATOM 0 H LEU A 55 0.246 -4.636 2.713 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.086 -7.330 1.555 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.724 -6.371 3.735 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.761 -7.910 2.898 1.00 0.00 H new ATOM 0 HG LEU A 55 2.328 -5.157 1.768 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.524 -6.222 1.177 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.196 -6.299 2.925 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.958 -7.742 1.911 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.715 -6.143 -0.446 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.064 -7.692 0.140 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.015 -6.256 0.068 1.00 0.00 H new ATOM 799 N GLY A 56 -0.826 -6.946 4.721 1.00 0.00 N ATOM 800 CA GLY A 56 -1.577 -7.467 5.849 1.00 0.00 C ATOM 801 C GLY A 56 -0.620 -8.179 6.800 1.00 0.00 C ATOM 802 O GLY A 56 -0.822 -9.355 7.095 1.00 0.00 O ATOM 0 H GLY A 56 -0.127 -6.264 5.014 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.088 -6.656 6.367 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.346 -8.158 5.502 1.00 0.00 H new ATOM 806 N LEU A 57 0.471 -7.528 7.210 1.00 0.00 N ATOM 807 CA LEU A 57 1.541 -8.070 8.040 1.00 0.00 C ATOM 808 C LEU A 57 1.862 -7.069 9.156 1.00 0.00 C ATOM 809 O LEU A 57 1.524 -5.887 9.061 1.00 0.00 O ATOM 810 CB LEU A 57 2.780 -8.295 7.147 1.00 0.00 C ATOM 811 CG LEU A 57 2.605 -9.397 6.080 1.00 0.00 C ATOM 812 CD1 LEU A 57 3.669 -9.248 4.987 1.00 0.00 C ATOM 813 CD2 LEU A 57 2.670 -10.800 6.697 1.00 0.00 C ATOM 0 H LEU A 57 0.638 -6.554 6.956 1.00 0.00 H new ATOM 0 HA LEU A 57 1.241 -9.016 8.492 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.028 -7.358 6.647 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.628 -8.552 7.781 1.00 0.00 H new ATOM 0 HG LEU A 57 1.616 -9.277 5.638 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.536 -10.031 4.240 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.568 -8.272 4.512 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.661 -9.335 5.431 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.543 -11.548 5.914 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.637 -10.941 7.180 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.876 -10.910 7.436 1.00 0.00 H new ATOM 825 N THR A 58 2.543 -7.525 10.204 1.00 0.00 N ATOM 826 CA THR A 58 3.126 -6.678 11.244 1.00 0.00 C ATOM 827 C THR A 58 4.368 -5.938 10.723 1.00 0.00 C ATOM 828 O THR A 58 4.939 -6.317 9.695 1.00 0.00 O ATOM 829 CB THR A 58 3.471 -7.535 12.475 1.00 0.00 C ATOM 830 OG1 THR A 58 3.936 -8.830 12.125 1.00 0.00 O ATOM 831 CG2 THR A 58 2.277 -7.689 13.416 1.00 0.00 C ATOM 0 H THR A 58 2.710 -8.519 10.359 1.00 0.00 H new ATOM 0 HA THR A 58 2.395 -5.923 11.533 1.00 0.00 H new ATOM 0 HB THR A 58 4.271 -6.997 12.983 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.143 -9.334 12.939 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.564 -8.301 14.271 1.00 0.00 H new ATOM 0 HG22 THR A 58 1.958 -6.706 13.764 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.455 -8.170 12.885 1.00 0.00 H new ATOM 839 N GLN A 59 4.834 -4.912 11.456 1.00 0.00 N ATOM 840 CA GLN A 59 6.034 -4.158 11.087 1.00 0.00 C ATOM 841 C GLN A 59 7.228 -5.097 10.982 1.00 0.00 C ATOM 842 O GLN A 59 7.978 -4.995 10.015 1.00 0.00 O ATOM 843 CB GLN A 59 6.341 -3.041 12.101 1.00 0.00 C ATOM 844 CG GLN A 59 7.508 -2.113 11.686 1.00 0.00 C ATOM 845 CD GLN A 59 8.726 -2.221 12.611 1.00 0.00 C ATOM 846 OE1 GLN A 59 8.720 -1.694 13.717 1.00 0.00 O ATOM 847 NE2 GLN A 59 9.799 -2.887 12.212 1.00 0.00 N ATOM 0 H GLN A 59 4.389 -4.587 12.315 1.00 0.00 H new ATOM 0 HA GLN A 59 5.845 -3.692 10.120 1.00 0.00 H new ATOM 0 HB2 GLN A 59 5.444 -2.438 12.243 1.00 0.00 H new ATOM 0 HB3 GLN A 59 6.576 -3.494 13.064 1.00 0.00 H new ATOM 0 HG2 GLN A 59 7.811 -2.355 10.667 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.157 -1.081 11.677 1.00 0.00 H new ATOM 0 HE21 GLN A 59 9.812 -3.329 11.293 1.00 0.00 H new ATOM 0 HE22 GLN A 59 10.612 -2.958 12.824 1.00 0.00 H new ATOM 856 N GLY A 60 7.421 -5.986 11.960 1.00 0.00 N ATOM 857 CA GLY A 60 8.547 -6.910 11.975 1.00 0.00 C ATOM 858 C GLY A 60 8.536 -7.833 10.765 1.00 0.00 C ATOM 859 O GLY A 60 9.572 -8.051 10.138 1.00 0.00 O ATOM 0 H GLY A 60 6.798 -6.082 12.762 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.480 -6.346 11.994 1.00 0.00 H new ATOM 0 HA3 GLY A 60 8.516 -7.506 12.887 1.00 0.00 H new ATOM 863 N SER A 61 7.368 -8.378 10.436 1.00 0.00 N ATOM 864 CA SER A 61 7.198 -9.307 9.331 1.00 0.00 C ATOM 865 C SER A 61 7.497 -8.604 8.007 1.00 0.00 C ATOM 866 O SER A 61 8.344 -9.062 7.238 1.00 0.00 O ATOM 867 CB SER A 61 5.784 -9.884 9.415 1.00 0.00 C ATOM 868 OG SER A 61 5.635 -10.493 10.690 1.00 0.00 O ATOM 0 H SER A 61 6.503 -8.182 10.939 1.00 0.00 H new ATOM 0 HA SER A 61 7.902 -10.137 9.390 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.042 -9.097 9.279 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.622 -10.614 8.622 1.00 0.00 H new ATOM 0 HG SER A 61 5.042 -9.946 11.247 1.00 0.00 H new ATOM 874 N VAL A 62 6.890 -7.437 7.771 1.00 0.00 N ATOM 875 CA VAL A 62 7.156 -6.686 6.555 1.00 0.00 C ATOM 876 C VAL A 62 8.608 -6.188 6.509 1.00 0.00 C ATOM 877 O VAL A 62 9.163 -6.028 5.420 1.00 0.00 O ATOM 878 CB VAL A 62 6.109 -5.561 6.400 1.00 0.00 C ATOM 879 CG1 VAL A 62 6.614 -4.144 6.692 1.00 0.00 C ATOM 880 CG2 VAL A 62 5.517 -5.605 4.994 1.00 0.00 C ATOM 0 H VAL A 62 6.219 -7.001 8.403 1.00 0.00 H new ATOM 0 HA VAL A 62 7.052 -7.342 5.691 1.00 0.00 H new ATOM 0 HB VAL A 62 5.358 -5.764 7.164 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.800 -3.432 6.554 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.972 -4.090 7.720 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.429 -3.901 6.010 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.778 -4.811 4.885 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.311 -5.465 4.260 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.038 -6.571 4.831 1.00 0.00 H new ATOM 890 N SER A 63 9.236 -5.947 7.665 1.00 0.00 N ATOM 891 CA SER A 63 10.635 -5.565 7.727 1.00 0.00 C ATOM 892 C SER A 63 11.473 -6.686 7.148 1.00 0.00 C ATOM 893 O SER A 63 12.231 -6.408 6.227 1.00 0.00 O ATOM 894 CB SER A 63 11.083 -5.218 9.144 1.00 0.00 C ATOM 895 OG SER A 63 10.379 -4.069 9.577 1.00 0.00 O ATOM 0 H SER A 63 8.783 -6.013 8.577 1.00 0.00 H new ATOM 0 HA SER A 63 10.772 -4.658 7.138 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.890 -6.054 9.816 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.157 -5.033 9.165 1.00 0.00 H new ATOM 0 HG SER A 63 9.415 -4.237 9.526 1.00 0.00 H new ATOM 901 N ASP A 64 11.299 -7.930 7.608 1.00 0.00 N ATOM 902 CA ASP A 64 12.033 -9.067 7.055 1.00 0.00 C ATOM 903 C ASP A 64 11.781 -9.194 5.556 1.00 0.00 C ATOM 904 O ASP A 64 12.723 -9.409 4.795 1.00 0.00 O ATOM 905 CB ASP A 64 11.678 -10.383 7.755 1.00 0.00 C ATOM 906 CG ASP A 64 12.646 -11.480 7.293 1.00 0.00 C ATOM 907 OD1 ASP A 64 13.827 -11.419 7.736 1.00 0.00 O ATOM 908 OD2 ASP A 64 12.247 -12.355 6.499 1.00 0.00 O ATOM 0 H ASP A 64 10.656 -8.172 8.362 1.00 0.00 H new ATOM 0 HA ASP A 64 13.091 -8.873 7.229 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.738 -10.261 8.836 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.651 -10.666 7.523 1.00 0.00 H new ATOM 913 N LEU A 65 10.527 -9.002 5.121 1.00 0.00 N ATOM 914 CA LEU A 65 10.161 -9.150 3.720 1.00 0.00 C ATOM 915 C LEU A 65 10.918 -8.161 2.833 1.00 0.00 C ATOM 916 O LEU A 65 11.408 -8.521 1.761 1.00 0.00 O ATOM 917 CB LEU A 65 8.642 -8.971 3.544 1.00 0.00 C ATOM 918 CG LEU A 65 8.151 -9.827 2.370 1.00 0.00 C ATOM 919 CD1 LEU A 65 7.980 -11.273 2.837 1.00 0.00 C ATOM 920 CD2 LEU A 65 6.831 -9.327 1.787 1.00 0.00 C ATOM 0 H LEU A 65 9.751 -8.743 5.730 1.00 0.00 H new ATOM 0 HA LEU A 65 10.440 -10.156 3.408 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.124 -9.260 4.458 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.409 -7.922 3.364 1.00 0.00 H new ATOM 0 HG LEU A 65 8.901 -9.758 1.582 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.631 -11.885 2.005 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.936 -11.656 3.193 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.250 -11.310 3.646 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.532 -9.970 0.960 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.062 -9.347 2.559 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.956 -8.306 1.426 1.00 0.00 H new ATOM 932 N LEU A 66 10.984 -6.899 3.262 1.00 0.00 N ATOM 933 CA LEU A 66 11.594 -5.815 2.498 1.00 0.00 C ATOM 934 C LEU A 66 13.114 -5.782 2.660 1.00 0.00 C ATOM 935 O LEU A 66 13.818 -5.357 1.738 1.00 0.00 O ATOM 936 CB LEU A 66 10.959 -4.486 2.940 1.00 0.00 C ATOM 937 CG LEU A 66 9.471 -4.358 2.560 1.00 0.00 C ATOM 938 CD1 LEU A 66 8.919 -3.025 3.054 1.00 0.00 C ATOM 939 CD2 LEU A 66 9.278 -4.465 1.050 1.00 0.00 C ATOM 0 H LEU A 66 10.609 -6.600 4.162 1.00 0.00 H new ATOM 0 HA LEU A 66 11.405 -5.981 1.437 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.059 -4.386 4.021 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.512 -3.661 2.491 1.00 0.00 H new ATOM 0 HG LEU A 66 8.930 -5.176 3.035 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.867 -2.943 2.781 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.018 -2.970 4.138 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.477 -2.208 2.596 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.219 -4.371 0.811 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.834 -3.669 0.555 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.644 -5.432 0.704 1.00 0.00 H new ATOM 951 N SER A 67 13.608 -6.243 3.805 1.00 0.00 N ATOM 952 CA SER A 67 15.009 -6.451 4.156 1.00 0.00 C ATOM 953 C SER A 67 15.577 -7.568 3.285 1.00 0.00 C ATOM 954 O SER A 67 16.408 -7.312 2.408 1.00 0.00 O ATOM 955 CB SER A 67 15.107 -6.781 5.660 1.00 0.00 C ATOM 956 OG SER A 67 16.347 -7.329 6.051 1.00 0.00 O ATOM 0 H SER A 67 12.989 -6.502 4.573 1.00 0.00 H new ATOM 0 HA SER A 67 15.596 -5.551 3.973 1.00 0.00 H new ATOM 0 HB2 SER A 67 14.927 -5.871 6.233 1.00 0.00 H new ATOM 0 HB3 SER A 67 14.314 -7.483 5.919 1.00 0.00 H new ATOM 0 HG SER A 67 16.336 -7.510 7.014 1.00 0.00 H new ATOM 962 N ARG A 68 15.136 -8.808 3.505 1.00 0.00 N ATOM 963 CA ARG A 68 15.724 -10.011 2.935 1.00 0.00 C ATOM 964 C ARG A 68 14.605 -10.802 2.256 1.00 0.00 C ATOM 965 O ARG A 68 14.264 -11.900 2.711 1.00 0.00 O ATOM 966 CB ARG A 68 16.455 -10.822 4.026 1.00 0.00 C ATOM 967 CG ARG A 68 17.515 -10.024 4.806 1.00 0.00 C ATOM 968 CD ARG A 68 18.883 -10.702 4.852 1.00 0.00 C ATOM 969 NE ARG A 68 19.681 -10.426 3.645 1.00 0.00 N ATOM 970 CZ ARG A 68 21.009 -10.549 3.556 1.00 0.00 C ATOM 971 NH1 ARG A 68 21.697 -11.148 4.522 1.00 0.00 N ATOM 972 NH2 ARG A 68 21.621 -10.066 2.481 1.00 0.00 N ATOM 0 H ARG A 68 14.334 -9.003 4.104 1.00 0.00 H new ATOM 0 HA ARG A 68 16.479 -9.765 2.189 1.00 0.00 H new ATOM 0 HB2 ARG A 68 15.718 -11.209 4.730 1.00 0.00 H new ATOM 0 HB3 ARG A 68 16.935 -11.683 3.561 1.00 0.00 H new ATOM 0 HG2 ARG A 68 17.623 -9.039 4.352 1.00 0.00 H new ATOM 0 HG3 ARG A 68 17.162 -9.868 5.825 1.00 0.00 H new ATOM 0 HD2 ARG A 68 19.427 -10.359 5.732 1.00 0.00 H new ATOM 0 HD3 ARG A 68 18.750 -11.778 4.959 1.00 0.00 H new ATOM 0 HE ARG A 68 19.181 -10.117 2.812 1.00 0.00 H new ATOM 0 HH11 ARG A 68 21.212 -11.518 5.339 1.00 0.00 H new ATOM 0 HH12 ARG A 68 22.710 -11.238 4.446 1.00 0.00 H new ATOM 0 HH21 ARG A 68 21.078 -9.613 1.746 1.00 0.00 H new ATOM 0 HH22 ARG A 68 22.634 -10.148 2.391 1.00 0.00 H new ATOM 986 N PRO A 69 14.078 -10.329 1.114 1.00 0.00 N ATOM 987 CA PRO A 69 13.144 -11.113 0.320 1.00 0.00 C ATOM 988 C PRO A 69 13.844 -12.398 -0.117 1.00 0.00 C ATOM 989 O PRO A 69 15.026 -12.366 -0.484 1.00 0.00 O ATOM 990 CB PRO A 69 12.819 -10.247 -0.893 1.00 0.00 C ATOM 991 CG PRO A 69 14.043 -9.355 -1.051 1.00 0.00 C ATOM 992 CD PRO A 69 14.463 -9.122 0.396 1.00 0.00 C ATOM 0 HA PRO A 69 12.240 -11.383 0.866 1.00 0.00 H new ATOM 0 HB2 PRO A 69 12.651 -10.854 -1.783 1.00 0.00 H new ATOM 0 HB3 PRO A 69 11.915 -9.659 -0.732 1.00 0.00 H new ATOM 0 HG2 PRO A 69 14.829 -9.841 -1.629 1.00 0.00 H new ATOM 0 HG3 PRO A 69 13.803 -8.422 -1.560 1.00 0.00 H new ATOM 0 HD2 PRO A 69 15.536 -8.948 0.469 1.00 0.00 H new ATOM 0 HD3 PRO A 69 13.968 -8.244 0.811 1.00 0.00 H new ATOM 1000 N LYS A 70 13.159 -13.535 -0.067 1.00 0.00 N ATOM 1001 CA LYS A 70 13.595 -14.744 -0.747 1.00 0.00 C ATOM 1002 C LYS A 70 13.391 -14.568 -2.267 1.00 0.00 C ATOM 1003 O LYS A 70 12.647 -13.678 -2.699 1.00 0.00 O ATOM 1004 CB LYS A 70 12.830 -15.947 -0.161 1.00 0.00 C ATOM 1005 CG LYS A 70 13.670 -16.676 0.906 1.00 0.00 C ATOM 1006 CD LYS A 70 12.893 -17.799 1.620 1.00 0.00 C ATOM 1007 CE LYS A 70 12.194 -17.279 2.883 1.00 0.00 C ATOM 1008 NZ LYS A 70 13.066 -17.323 4.078 1.00 0.00 N ATOM 0 H LYS A 70 12.285 -13.642 0.448 1.00 0.00 H new ATOM 0 HA LYS A 70 14.657 -14.933 -0.590 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.894 -15.606 0.280 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.571 -16.641 -0.961 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.558 -17.098 0.435 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.015 -15.953 1.646 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.153 -18.221 0.940 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.577 -18.605 1.886 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.866 -16.253 2.715 1.00 0.00 H new ATOM 0 HE3 LYS A 70 11.299 -17.873 3.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.545 -16.961 4.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 13.359 -18.304 4.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 13.908 -16.735 3.915 1.00 0.00 H new ATOM 1022 N PRO A 71 14.049 -15.397 -3.090 1.00 0.00 N ATOM 1023 CA PRO A 71 13.890 -15.380 -4.539 1.00 0.00 C ATOM 1024 C PRO A 71 12.504 -15.898 -4.932 1.00 0.00 C ATOM 1025 O PRO A 71 11.890 -16.665 -4.191 1.00 0.00 O ATOM 1026 CB PRO A 71 15.005 -16.282 -5.082 1.00 0.00 C ATOM 1027 CG PRO A 71 15.341 -17.200 -3.922 1.00 0.00 C ATOM 1028 CD PRO A 71 15.022 -16.386 -2.674 1.00 0.00 C ATOM 0 HA PRO A 71 13.964 -14.373 -4.950 1.00 0.00 H new ATOM 0 HB2 PRO A 71 14.672 -16.847 -5.953 1.00 0.00 H new ATOM 0 HB3 PRO A 71 15.872 -15.700 -5.393 1.00 0.00 H new ATOM 0 HG2 PRO A 71 14.750 -18.115 -3.958 1.00 0.00 H new ATOM 0 HG3 PRO A 71 16.390 -17.496 -3.943 1.00 0.00 H new ATOM 0 HD2 PRO A 71 14.622 -17.021 -1.884 1.00 0.00 H new ATOM 0 HD3 PRO A 71 15.919 -15.910 -2.277 1.00 0.00 H new ATOM 1036 N TRP A 72 12.037 -15.556 -6.132 1.00 0.00 N ATOM 1037 CA TRP A 72 10.717 -15.954 -6.613 1.00 0.00 C ATOM 1038 C TRP A 72 10.548 -17.479 -6.601 1.00 0.00 C ATOM 1039 O TRP A 72 9.506 -17.957 -6.159 1.00 0.00 O ATOM 1040 CB TRP A 72 10.470 -15.348 -7.996 1.00 0.00 C ATOM 1041 CG TRP A 72 9.132 -15.643 -8.596 1.00 0.00 C ATOM 1042 CD1 TRP A 72 8.898 -16.610 -9.505 1.00 0.00 C ATOM 1043 CD2 TRP A 72 7.868 -14.928 -8.452 1.00 0.00 C ATOM 1044 NE1 TRP A 72 7.603 -16.527 -9.965 1.00 0.00 N ATOM 1045 CE2 TRP A 72 6.922 -15.498 -9.358 1.00 0.00 C ATOM 1046 CE3 TRP A 72 7.442 -13.815 -7.699 1.00 0.00 C ATOM 1047 CZ2 TRP A 72 5.626 -14.988 -9.511 1.00 0.00 C ATOM 1048 CZ3 TRP A 72 6.134 -13.311 -7.826 1.00 0.00 C ATOM 1049 CH2 TRP A 72 5.232 -13.900 -8.726 1.00 0.00 C ATOM 0 H TRP A 72 12.566 -14.994 -6.799 1.00 0.00 H new ATOM 0 HA TRP A 72 9.959 -15.564 -5.934 1.00 0.00 H new ATOM 0 HB2 TRP A 72 10.588 -14.267 -7.926 1.00 0.00 H new ATOM 0 HB3 TRP A 72 11.242 -15.710 -8.676 1.00 0.00 H new ATOM 0 HD1 TRP A 72 9.622 -17.344 -9.826 1.00 0.00 H new ATOM 0 HE1 TRP A 72 7.200 -17.149 -10.666 1.00 0.00 H new ATOM 0 HE3 TRP A 72 8.130 -13.342 -7.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 4.943 -15.428 -10.223 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 5.823 -12.467 -7.228 1.00 0.00 H new ATOM 0 HH2 TRP A 72 4.228 -13.511 -8.813 1.00 0.00 H new ATOM 1060 N HIS A 73 11.570 -18.261 -6.979 1.00 0.00 N ATOM 1061 CA HIS A 73 11.473 -19.725 -6.943 1.00 0.00 C ATOM 1062 C HIS A 73 11.217 -20.260 -5.528 1.00 0.00 C ATOM 1063 O HIS A 73 10.483 -21.234 -5.358 1.00 0.00 O ATOM 1064 CB HIS A 73 12.711 -20.398 -7.557 1.00 0.00 C ATOM 1065 CG HIS A 73 13.921 -20.514 -6.654 1.00 0.00 C ATOM 1066 ND1 HIS A 73 14.990 -19.653 -6.618 1.00 0.00 N ATOM 1067 CD2 HIS A 73 14.160 -21.490 -5.721 1.00 0.00 C ATOM 1068 CE1 HIS A 73 15.842 -20.090 -5.678 1.00 0.00 C ATOM 1069 NE2 HIS A 73 15.392 -21.221 -5.119 1.00 0.00 N ATOM 0 H HIS A 73 12.467 -17.906 -7.311 1.00 0.00 H new ATOM 0 HA HIS A 73 10.608 -19.984 -7.554 1.00 0.00 H new ATOM 0 HB2 HIS A 73 12.430 -21.399 -7.885 1.00 0.00 H new ATOM 0 HB3 HIS A 73 12.999 -19.839 -8.447 1.00 0.00 H new ATOM 0 HD2 HIS A 73 13.510 -22.321 -5.492 1.00 0.00 H new ATOM 0 HE1 HIS A 73 16.765 -19.597 -5.409 1.00 0.00 H new ATOM 0 HE2 HIS A 73 15.856 -21.775 -4.399 1.00 0.00 H new ATOM 1077 N LYS A 74 11.824 -19.645 -4.505 1.00 0.00 N ATOM 1078 CA LYS A 74 11.688 -20.062 -3.105 1.00 0.00 C ATOM 1079 C LYS A 74 10.292 -19.799 -2.599 1.00 0.00 C ATOM 1080 O LYS A 74 9.756 -20.576 -1.805 1.00 0.00 O ATOM 1081 CB LYS A 74 12.675 -19.277 -2.223 1.00 0.00 C ATOM 1082 CG LYS A 74 14.036 -19.972 -2.233 1.00 0.00 C ATOM 1083 CD LYS A 74 14.203 -20.954 -1.074 1.00 0.00 C ATOM 1084 CE LYS A 74 15.343 -21.914 -1.409 1.00 0.00 C ATOM 1085 NZ LYS A 74 16.065 -22.366 -0.206 1.00 0.00 N ATOM 0 H LYS A 74 12.430 -18.834 -4.629 1.00 0.00 H new ATOM 0 HA LYS A 74 11.899 -21.130 -3.055 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.774 -18.256 -2.591 1.00 0.00 H new ATOM 0 HB3 LYS A 74 12.296 -19.213 -1.203 1.00 0.00 H new ATOM 0 HG2 LYS A 74 14.161 -20.504 -3.176 1.00 0.00 H new ATOM 0 HG3 LYS A 74 14.824 -19.220 -2.184 1.00 0.00 H new ATOM 0 HD2 LYS A 74 14.420 -20.416 -0.151 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.278 -21.507 -0.911 1.00 0.00 H new ATOM 0 HE2 LYS A 74 14.943 -22.780 -1.937 1.00 0.00 H new ATOM 0 HE3 LYS A 74 16.042 -21.423 -2.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 16.829 -23.015 -0.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 16.470 -21.544 0.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 15.406 -22.859 0.430 1.00 0.00 H new ATOM 1099 N LEU A 75 9.725 -18.680 -3.019 1.00 0.00 N ATOM 1100 CA LEU A 75 8.426 -18.272 -2.562 1.00 0.00 C ATOM 1101 C LEU A 75 7.460 -19.153 -3.328 1.00 0.00 C ATOM 1102 O LEU A 75 7.453 -19.161 -4.555 1.00 0.00 O ATOM 1103 CB LEU A 75 8.233 -16.790 -2.875 1.00 0.00 C ATOM 1104 CG LEU A 75 9.219 -15.877 -2.128 1.00 0.00 C ATOM 1105 CD1 LEU A 75 9.004 -14.462 -2.626 1.00 0.00 C ATOM 1106 CD2 LEU A 75 9.033 -15.928 -0.613 1.00 0.00 C ATOM 0 H LEU A 75 10.158 -18.038 -3.683 1.00 0.00 H new ATOM 0 HA LEU A 75 8.279 -18.382 -1.488 1.00 0.00 H new ATOM 0 HB2 LEU A 75 8.346 -16.635 -3.948 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.214 -16.501 -2.617 1.00 0.00 H new ATOM 0 HG LEU A 75 10.234 -16.221 -2.327 1.00 0.00 H new ATOM 0 HD11 LEU A 75 9.690 -13.788 -2.114 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.189 -14.422 -3.699 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.977 -14.157 -2.423 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.754 -15.265 -0.135 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.022 -15.608 -0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.189 -16.948 -0.261 1.00 0.00 H new ATOM 1118 N SER A 76 6.671 -19.943 -2.615 1.00 0.00 N ATOM 1119 CA SER A 76 5.541 -20.631 -3.230 1.00 0.00 C ATOM 1120 C SER A 76 4.463 -19.587 -3.562 1.00 0.00 C ATOM 1121 O SER A 76 4.663 -18.402 -3.312 1.00 0.00 O ATOM 1122 CB SER A 76 5.055 -21.726 -2.283 1.00 0.00 C ATOM 1123 OG SER A 76 6.155 -22.409 -1.687 1.00 0.00 O ATOM 0 H SER A 76 6.789 -20.124 -1.618 1.00 0.00 H new ATOM 0 HA SER A 76 5.818 -21.121 -4.163 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.429 -21.288 -1.505 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.434 -22.436 -2.830 1.00 0.00 H new ATOM 0 HG SER A 76 5.820 -23.104 -1.083 1.00 0.00 H new ATOM 1129 N LEU A 77 3.304 -19.979 -4.091 1.00 0.00 N ATOM 1130 CA LEU A 77 2.282 -19.025 -4.539 1.00 0.00 C ATOM 1131 C LEU A 77 1.856 -18.083 -3.412 1.00 0.00 C ATOM 1132 O LEU A 77 2.008 -16.873 -3.519 1.00 0.00 O ATOM 1133 CB LEU A 77 1.104 -19.794 -5.135 1.00 0.00 C ATOM 1134 CG LEU A 77 1.481 -20.497 -6.451 1.00 0.00 C ATOM 1135 CD1 LEU A 77 0.302 -21.324 -6.945 1.00 0.00 C ATOM 1136 CD2 LEU A 77 1.907 -19.507 -7.542 1.00 0.00 C ATOM 0 H LEU A 77 3.046 -20.957 -4.222 1.00 0.00 H new ATOM 0 HA LEU A 77 2.703 -18.386 -5.315 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.753 -20.534 -4.416 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.277 -19.108 -5.315 1.00 0.00 H new ATOM 0 HG LEU A 77 2.335 -21.141 -6.243 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.571 -21.821 -7.877 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.044 -22.073 -6.196 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.554 -20.671 -7.116 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.163 -20.054 -8.450 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.087 -18.820 -7.751 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.775 -18.942 -7.202 1.00 0.00 H new ATOM 1148 N LYS A 78 1.412 -18.633 -2.286 1.00 0.00 N ATOM 1149 CA LYS A 78 1.209 -17.907 -1.035 1.00 0.00 C ATOM 1150 C LYS A 78 2.439 -17.081 -0.614 1.00 0.00 C ATOM 1151 O LYS A 78 2.303 -15.948 -0.164 1.00 0.00 O ATOM 1152 CB LYS A 78 0.704 -18.842 0.074 1.00 0.00 C ATOM 1153 CG LYS A 78 1.520 -20.120 0.318 1.00 0.00 C ATOM 1154 CD LYS A 78 1.334 -21.199 -0.765 1.00 0.00 C ATOM 1155 CE LYS A 78 1.687 -22.626 -0.324 1.00 0.00 C ATOM 1156 NZ LYS A 78 0.651 -23.194 0.564 1.00 0.00 N ATOM 0 H LYS A 78 1.177 -19.623 -2.216 1.00 0.00 H new ATOM 0 HA LYS A 78 0.424 -17.172 -1.214 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.668 -18.277 1.006 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.320 -19.131 -0.164 1.00 0.00 H new ATOM 0 HG2 LYS A 78 2.576 -19.858 0.378 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.240 -20.538 1.285 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.296 -21.184 -1.098 1.00 0.00 H new ATOM 0 HD3 LYS A 78 1.949 -20.938 -1.626 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.802 -23.261 -1.203 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.647 -22.621 0.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 0.923 -24.159 0.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 0.559 -22.602 1.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -0.259 -23.222 0.062 1.00 0.00 H new ATOM 1170 N GLY A 79 3.652 -17.591 -0.827 1.00 0.00 N ATOM 1171 CA GLY A 79 4.910 -16.863 -0.662 1.00 0.00 C ATOM 1172 C GLY A 79 4.960 -15.556 -1.444 1.00 0.00 C ATOM 1173 O GLY A 79 5.427 -14.537 -0.934 1.00 0.00 O ATOM 0 H GLY A 79 3.790 -18.555 -1.129 1.00 0.00 H new ATOM 0 HA2 GLY A 79 5.062 -16.651 0.396 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.735 -17.500 -0.981 1.00 0.00 H new ATOM 1177 N ARG A 80 4.509 -15.603 -2.693 1.00 0.00 N ATOM 1178 CA ARG A 80 4.585 -14.528 -3.675 1.00 0.00 C ATOM 1179 C ARG A 80 3.415 -13.570 -3.545 1.00 0.00 C ATOM 1180 O ARG A 80 3.540 -12.436 -3.994 1.00 0.00 O ATOM 1181 CB ARG A 80 4.554 -15.138 -5.081 1.00 0.00 C ATOM 1182 CG ARG A 80 5.738 -16.075 -5.339 1.00 0.00 C ATOM 1183 CD ARG A 80 5.406 -16.979 -6.533 1.00 0.00 C ATOM 1184 NE ARG A 80 6.495 -17.919 -6.786 1.00 0.00 N ATOM 1185 CZ ARG A 80 6.663 -18.744 -7.818 1.00 0.00 C ATOM 1186 NH1 ARG A 80 5.825 -18.760 -8.852 1.00 0.00 N ATOM 1187 NH2 ARG A 80 7.692 -19.573 -7.769 1.00 0.00 N ATOM 0 H ARG A 80 4.056 -16.437 -3.067 1.00 0.00 H new ATOM 0 HA ARG A 80 5.509 -13.976 -3.502 1.00 0.00 H new ATOM 0 HB2 ARG A 80 3.623 -15.689 -5.214 1.00 0.00 H new ATOM 0 HB3 ARG A 80 4.560 -14.338 -5.821 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.639 -15.496 -5.543 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.941 -16.679 -4.454 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.484 -17.527 -6.336 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.231 -16.370 -7.420 1.00 0.00 H new ATOM 0 HE ARG A 80 7.226 -17.947 -6.076 1.00 0.00 H new ATOM 0 HH11 ARG A 80 5.025 -18.128 -8.870 1.00 0.00 H new ATOM 0 HH12 ARG A 80 5.983 -19.405 -9.626 1.00 0.00 H new ATOM 0 HH21 ARG A 80 8.317 -19.562 -6.963 1.00 0.00 H new ATOM 0 HH22 ARG A 80 7.860 -20.223 -8.537 1.00 0.00 H new ATOM 1201 N GLU A 81 2.313 -14.007 -2.928 1.00 0.00 N ATOM 1202 CA GLU A 81 1.074 -13.265 -2.729 1.00 0.00 C ATOM 1203 C GLU A 81 1.306 -11.769 -2.491 1.00 0.00 C ATOM 1204 O GLU A 81 0.772 -10.970 -3.269 1.00 0.00 O ATOM 1205 CB GLU A 81 0.209 -13.951 -1.652 1.00 0.00 C ATOM 1206 CG GLU A 81 -1.273 -13.745 -1.832 1.00 0.00 C ATOM 1207 CD GLU A 81 -2.016 -14.413 -0.669 1.00 0.00 C ATOM 1208 OE1 GLU A 81 -2.150 -15.651 -0.662 1.00 0.00 O ATOM 1209 OE2 GLU A 81 -2.543 -13.712 0.228 1.00 0.00 O ATOM 0 H GLU A 81 2.264 -14.946 -2.532 1.00 0.00 H new ATOM 0 HA GLU A 81 0.504 -13.294 -3.657 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.420 -15.020 -1.658 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.501 -13.574 -0.672 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.504 -12.680 -1.864 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.599 -14.170 -2.781 1.00 0.00 H new ATOM 1216 N PRO A 82 2.134 -11.373 -1.503 1.00 0.00 N ATOM 1217 CA PRO A 82 2.344 -9.968 -1.221 1.00 0.00 C ATOM 1218 C PRO A 82 3.217 -9.281 -2.274 1.00 0.00 C ATOM 1219 O PRO A 82 2.945 -8.138 -2.617 1.00 0.00 O ATOM 1220 CB PRO A 82 3.010 -9.929 0.162 1.00 0.00 C ATOM 1221 CG PRO A 82 3.704 -11.278 0.297 1.00 0.00 C ATOM 1222 CD PRO A 82 2.797 -12.204 -0.500 1.00 0.00 C ATOM 0 HA PRO A 82 1.400 -9.423 -1.241 1.00 0.00 H new ATOM 0 HB2 PRO A 82 3.723 -9.108 0.235 1.00 0.00 H new ATOM 0 HB3 PRO A 82 2.273 -9.782 0.952 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.716 -11.255 -0.108 1.00 0.00 H new ATOM 0 HG3 PRO A 82 3.785 -11.589 1.339 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.374 -12.998 -0.974 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.066 -12.685 0.150 1.00 0.00 H new ATOM 1230 N PHE A 83 4.253 -9.935 -2.809 1.00 0.00 N ATOM 1231 CA PHE A 83 5.148 -9.325 -3.795 1.00 0.00 C ATOM 1232 C PHE A 83 4.407 -8.960 -5.073 1.00 0.00 C ATOM 1233 O PHE A 83 4.713 -7.933 -5.677 1.00 0.00 O ATOM 1234 CB PHE A 83 6.315 -10.249 -4.147 1.00 0.00 C ATOM 1235 CG PHE A 83 7.235 -10.540 -2.984 1.00 0.00 C ATOM 1236 CD1 PHE A 83 6.939 -11.572 -2.074 1.00 0.00 C ATOM 1237 CD2 PHE A 83 8.385 -9.754 -2.802 1.00 0.00 C ATOM 1238 CE1 PHE A 83 7.799 -11.823 -0.992 1.00 0.00 C ATOM 1239 CE2 PHE A 83 9.235 -10.005 -1.716 1.00 0.00 C ATOM 1240 CZ PHE A 83 8.955 -11.045 -0.817 1.00 0.00 C ATOM 0 H PHE A 83 4.493 -10.897 -2.572 1.00 0.00 H new ATOM 0 HA PHE A 83 5.537 -8.417 -3.334 1.00 0.00 H new ATOM 0 HB2 PHE A 83 5.919 -11.190 -4.529 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.894 -9.797 -4.952 1.00 0.00 H new ATOM 0 HD1 PHE A 83 6.050 -12.171 -2.208 1.00 0.00 H new ATOM 0 HD2 PHE A 83 8.613 -8.959 -3.496 1.00 0.00 H new ATOM 0 HE1 PHE A 83 7.571 -12.615 -0.294 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.113 -9.393 -1.570 1.00 0.00 H new ATOM 0 HZ PHE A 83 9.625 -11.246 0.006 1.00 0.00 H new ATOM 1250 N VAL A 84 3.435 -9.778 -5.471 1.00 0.00 N ATOM 1251 CA VAL A 84 2.574 -9.446 -6.588 1.00 0.00 C ATOM 1252 C VAL A 84 1.749 -8.203 -6.219 1.00 0.00 C ATOM 1253 O VAL A 84 1.754 -7.257 -7.008 1.00 0.00 O ATOM 1254 CB VAL A 84 1.781 -10.690 -7.020 1.00 0.00 C ATOM 1255 CG1 VAL A 84 0.860 -10.409 -8.217 1.00 0.00 C ATOM 1256 CG2 VAL A 84 2.700 -11.865 -7.376 1.00 0.00 C ATOM 0 H VAL A 84 3.229 -10.675 -5.032 1.00 0.00 H new ATOM 0 HA VAL A 84 3.134 -9.165 -7.480 1.00 0.00 H new ATOM 0 HB VAL A 84 1.172 -10.957 -6.157 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.322 -11.319 -8.484 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.146 -9.630 -7.951 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.458 -10.079 -9.067 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.096 -12.722 -7.675 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.355 -11.578 -8.198 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.303 -12.132 -6.508 1.00 0.00 H new ATOM 1266 N ARG A 85 1.149 -8.111 -5.014 1.00 0.00 N ATOM 1267 CA ARG A 85 0.444 -6.897 -4.613 1.00 0.00 C ATOM 1268 C ARG A 85 1.378 -5.687 -4.719 1.00 0.00 C ATOM 1269 O ARG A 85 0.968 -4.652 -5.225 1.00 0.00 O ATOM 1270 CB ARG A 85 -0.126 -6.953 -3.188 1.00 0.00 C ATOM 1271 CG ARG A 85 -1.263 -7.958 -3.014 1.00 0.00 C ATOM 1272 CD ARG A 85 -1.920 -7.760 -1.646 1.00 0.00 C ATOM 1273 NE ARG A 85 -3.046 -8.677 -1.412 1.00 0.00 N ATOM 1274 CZ ARG A 85 -4.308 -8.521 -1.823 1.00 0.00 C ATOM 1275 NH1 ARG A 85 -4.651 -7.493 -2.592 1.00 0.00 N ATOM 1276 NH2 ARG A 85 -5.220 -9.428 -1.486 1.00 0.00 N ATOM 0 H ARG A 85 1.143 -8.856 -4.318 1.00 0.00 H new ATOM 0 HA ARG A 85 -0.400 -6.805 -5.296 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.677 -7.205 -2.496 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.485 -5.962 -2.912 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -2.001 -7.827 -3.805 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -0.879 -8.975 -3.100 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -1.173 -7.904 -0.866 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -2.272 -6.732 -1.564 1.00 0.00 H new ATOM 0 HE ARG A 85 -2.842 -9.522 -0.879 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -3.947 -6.811 -2.876 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -5.618 -7.386 -2.899 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.953 -10.233 -0.919 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -6.186 -9.319 -1.794 1.00 0.00 H new ATOM 1290 N MET A 86 2.634 -5.797 -4.261 1.00 0.00 N ATOM 1291 CA MET A 86 3.608 -4.723 -4.298 1.00 0.00 C ATOM 1292 C MET A 86 3.883 -4.253 -5.719 1.00 0.00 C ATOM 1293 O MET A 86 3.910 -3.051 -5.957 1.00 0.00 O ATOM 1294 CB MET A 86 4.916 -5.191 -3.665 1.00 0.00 C ATOM 1295 CG MET A 86 4.781 -5.468 -2.171 1.00 0.00 C ATOM 1296 SD MET A 86 6.302 -5.264 -1.214 1.00 0.00 S ATOM 1297 CE MET A 86 6.962 -6.909 -1.459 1.00 0.00 C ATOM 0 H MET A 86 2.997 -6.656 -3.849 1.00 0.00 H new ATOM 0 HA MET A 86 3.193 -3.885 -3.738 1.00 0.00 H new ATOM 0 HB2 MET A 86 5.255 -6.096 -4.169 1.00 0.00 H new ATOM 0 HB3 MET A 86 5.683 -4.432 -3.822 1.00 0.00 H new ATOM 0 HG2 MET A 86 4.020 -4.804 -1.761 1.00 0.00 H new ATOM 0 HG3 MET A 86 4.420 -6.488 -2.037 1.00 0.00 H new ATOM 0 HE1 MET A 86 7.851 -7.040 -0.842 1.00 0.00 H new ATOM 0 HE2 MET A 86 6.212 -7.648 -1.176 1.00 0.00 H new ATOM 0 HE3 MET A 86 7.225 -7.043 -2.508 1.00 0.00 H new ATOM 1307 N GLN A 87 4.116 -5.176 -6.656 1.00 0.00 N ATOM 1308 CA GLN A 87 4.301 -4.813 -8.059 1.00 0.00 C ATOM 1309 C GLN A 87 3.089 -4.012 -8.559 1.00 0.00 C ATOM 1310 O GLN A 87 3.253 -2.963 -9.180 1.00 0.00 O ATOM 1311 CB GLN A 87 4.535 -6.071 -8.902 1.00 0.00 C ATOM 1312 CG GLN A 87 4.665 -5.787 -10.409 1.00 0.00 C ATOM 1313 CD GLN A 87 5.875 -4.930 -10.774 1.00 0.00 C ATOM 1314 OE1 GLN A 87 5.754 -3.774 -11.165 1.00 0.00 O ATOM 1315 NE2 GLN A 87 7.073 -5.487 -10.699 1.00 0.00 N ATOM 0 H GLN A 87 4.180 -6.176 -6.467 1.00 0.00 H new ATOM 0 HA GLN A 87 5.183 -4.180 -8.157 1.00 0.00 H new ATOM 0 HB2 GLN A 87 5.441 -6.568 -8.555 1.00 0.00 H new ATOM 0 HB3 GLN A 87 3.710 -6.765 -8.741 1.00 0.00 H new ATOM 0 HG2 GLN A 87 4.729 -6.735 -10.943 1.00 0.00 H new ATOM 0 HG3 GLN A 87 3.760 -5.287 -10.754 1.00 0.00 H new ATOM 0 HE21 GLN A 87 7.169 -6.449 -10.373 1.00 0.00 H new ATOM 0 HE22 GLN A 87 7.901 -4.955 -10.967 1.00 0.00 H new ATOM 1324 N LEU A 88 1.870 -4.493 -8.301 1.00 0.00 N ATOM 1325 CA LEU A 88 0.671 -3.818 -8.789 1.00 0.00 C ATOM 1326 C LEU A 88 0.441 -2.479 -8.100 1.00 0.00 C ATOM 1327 O LEU A 88 -0.026 -1.542 -8.748 1.00 0.00 O ATOM 1328 CB LEU A 88 -0.570 -4.707 -8.644 1.00 0.00 C ATOM 1329 CG LEU A 88 -0.789 -5.692 -9.803 1.00 0.00 C ATOM 1330 CD1 LEU A 88 -0.742 -5.021 -11.183 1.00 0.00 C ATOM 1331 CD2 LEU A 88 0.179 -6.875 -9.765 1.00 0.00 C ATOM 0 H LEU A 88 1.691 -5.340 -7.762 1.00 0.00 H new ATOM 0 HA LEU A 88 0.838 -3.622 -9.848 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.490 -5.271 -7.715 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.449 -4.069 -8.555 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.799 -6.073 -9.653 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.904 -5.771 -11.958 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.521 -4.261 -11.245 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.232 -4.554 -11.328 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.022 -7.537 -10.607 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.204 -6.509 -9.828 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.047 -7.424 -8.832 1.00 0.00 H new ATOM 1343 N TRP A 89 0.797 -2.365 -6.822 1.00 0.00 N ATOM 1344 CA TRP A 89 0.749 -1.124 -6.081 1.00 0.00 C ATOM 1345 C TRP A 89 1.682 -0.134 -6.771 1.00 0.00 C ATOM 1346 O TRP A 89 1.257 0.951 -7.134 1.00 0.00 O ATOM 1347 CB TRP A 89 1.113 -1.413 -4.619 1.00 0.00 C ATOM 1348 CG TRP A 89 1.049 -0.253 -3.684 1.00 0.00 C ATOM 1349 CD1 TRP A 89 -0.066 0.203 -3.075 1.00 0.00 C ATOM 1350 CD2 TRP A 89 2.136 0.590 -3.204 1.00 0.00 C ATOM 1351 NE1 TRP A 89 0.254 1.277 -2.272 1.00 0.00 N ATOM 1352 CE2 TRP A 89 1.607 1.533 -2.275 1.00 0.00 C ATOM 1353 CE3 TRP A 89 3.525 0.617 -3.443 1.00 0.00 C ATOM 1354 CZ2 TRP A 89 2.414 2.463 -1.604 1.00 0.00 C ATOM 1355 CZ3 TRP A 89 4.353 1.539 -2.772 1.00 0.00 C ATOM 1356 CH2 TRP A 89 3.799 2.461 -1.860 1.00 0.00 C ATOM 0 H TRP A 89 1.133 -3.154 -6.269 1.00 0.00 H new ATOM 0 HA TRP A 89 -0.245 -0.676 -6.068 1.00 0.00 H new ATOM 0 HB2 TRP A 89 0.446 -2.190 -4.247 1.00 0.00 H new ATOM 0 HB3 TRP A 89 2.124 -1.820 -4.591 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -1.056 -0.210 -3.198 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -0.429 1.817 -1.740 1.00 0.00 H new ATOM 0 HE3 TRP A 89 3.959 -0.076 -4.148 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 1.983 3.166 -0.906 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 5.417 1.540 -2.957 1.00 0.00 H new ATOM 0 HH2 TRP A 89 4.440 3.169 -1.355 1.00 0.00 H new ATOM 1367 N LEU A 90 2.923 -0.524 -7.067 1.00 0.00 N ATOM 1368 CA LEU A 90 3.868 0.333 -7.778 1.00 0.00 C ATOM 1369 C LEU A 90 3.333 0.774 -9.148 1.00 0.00 C ATOM 1370 O LEU A 90 3.601 1.897 -9.585 1.00 0.00 O ATOM 1371 CB LEU A 90 5.195 -0.409 -7.955 1.00 0.00 C ATOM 1372 CG LEU A 90 5.975 -0.563 -6.640 1.00 0.00 C ATOM 1373 CD1 LEU A 90 7.072 -1.613 -6.860 1.00 0.00 C ATOM 1374 CD2 LEU A 90 6.493 0.798 -6.153 1.00 0.00 C ATOM 0 H LEU A 90 3.299 -1.440 -6.821 1.00 0.00 H new ATOM 0 HA LEU A 90 4.015 1.233 -7.180 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.000 -1.396 -8.374 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.812 0.127 -8.676 1.00 0.00 H new ATOM 0 HG LEU A 90 5.332 -0.920 -5.835 1.00 0.00 H new ATOM 0 HD11 LEU A 90 7.642 -1.742 -5.940 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.616 -2.562 -7.140 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.739 -1.282 -7.656 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.042 0.666 -5.221 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.154 1.226 -6.906 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.651 1.469 -5.986 1.00 0.00 H new ATOM 1386 N ASN A 91 2.589 -0.093 -9.842 1.00 0.00 N ATOM 1387 CA ASN A 91 1.986 0.213 -11.137 1.00 0.00 C ATOM 1388 C ASN A 91 0.863 1.249 -11.016 1.00 0.00 C ATOM 1389 O ASN A 91 0.683 2.061 -11.931 1.00 0.00 O ATOM 1390 CB ASN A 91 1.447 -1.068 -11.802 1.00 0.00 C ATOM 1391 CG ASN A 91 2.254 -1.548 -13.005 1.00 0.00 C ATOM 1392 OD1 ASN A 91 3.288 -0.989 -13.375 1.00 0.00 O ATOM 1393 ND2 ASN A 91 1.807 -2.625 -13.628 1.00 0.00 N ATOM 0 H ASN A 91 2.388 -1.038 -9.514 1.00 0.00 H new ATOM 0 HA ASN A 91 2.770 0.640 -11.762 1.00 0.00 H new ATOM 0 HB2 ASN A 91 1.421 -1.864 -11.058 1.00 0.00 H new ATOM 0 HB3 ASN A 91 0.419 -0.892 -12.118 1.00 0.00 H new ATOM 0 HD21 ASN A 91 2.319 -3.003 -14.425 1.00 0.00 H new ATOM 0 HD22 ASN A 91 0.950 -3.078 -13.312 1.00 0.00 H new ATOM 1400 N ASP A 92 0.129 1.264 -9.901 1.00 0.00 N ATOM 1401 CA ASP A 92 -0.917 2.252 -9.636 1.00 0.00 C ATOM 1402 C ASP A 92 -0.288 3.653 -9.561 1.00 0.00 C ATOM 1403 O ASP A 92 0.764 3.819 -8.933 1.00 0.00 O ATOM 1404 CB ASP A 92 -1.682 1.940 -8.326 1.00 0.00 C ATOM 1405 CG ASP A 92 -3.161 1.618 -8.495 1.00 0.00 C ATOM 1406 OD1 ASP A 92 -3.794 2.045 -9.481 1.00 0.00 O ATOM 1407 OD2 ASP A 92 -3.736 0.970 -7.590 1.00 0.00 O ATOM 0 H ASP A 92 0.246 0.584 -9.150 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.638 2.213 -10.452 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -1.198 1.096 -7.834 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -1.588 2.796 -7.657 1.00 0.00 H new ATOM 1412 N PRO A 93 -0.896 4.682 -10.177 1.00 0.00 N ATOM 1413 CA PRO A 93 -0.380 6.042 -10.120 1.00 0.00 C ATOM 1414 C PRO A 93 -0.565 6.605 -8.707 1.00 0.00 C ATOM 1415 O PRO A 93 0.415 6.841 -7.999 1.00 0.00 O ATOM 1416 CB PRO A 93 -1.142 6.818 -11.195 1.00 0.00 C ATOM 1417 CG PRO A 93 -2.456 6.055 -11.363 1.00 0.00 C ATOM 1418 CD PRO A 93 -2.111 4.627 -10.978 1.00 0.00 C ATOM 0 HA PRO A 93 0.690 6.107 -10.318 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.319 7.849 -10.889 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -0.582 6.854 -12.130 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -3.238 6.462 -10.722 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -2.822 6.114 -12.388 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -2.925 4.173 -10.413 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -1.959 4.014 -11.867 1.00 0.00 H new ATOM 1426 N HIS A 94 -1.816 6.727 -8.258 1.00 0.00 N ATOM 1427 CA HIS A 94 -2.210 7.220 -6.940 1.00 0.00 C ATOM 1428 C HIS A 94 -1.904 6.214 -5.816 1.00 0.00 C ATOM 1429 O HIS A 94 -2.501 6.314 -4.750 1.00 0.00 O ATOM 1430 CB HIS A 94 -3.708 7.581 -6.971 1.00 0.00 C ATOM 1431 CG HIS A 94 -4.032 8.750 -7.870 1.00 0.00 C ATOM 1432 ND1 HIS A 94 -4.038 10.080 -7.501 1.00 0.00 N ATOM 1433 CD2 HIS A 94 -4.388 8.682 -9.192 1.00 0.00 C ATOM 1434 CE1 HIS A 94 -4.404 10.795 -8.575 1.00 0.00 C ATOM 1435 NE2 HIS A 94 -4.595 9.992 -9.642 1.00 0.00 N ATOM 0 H HIS A 94 -2.619 6.472 -8.833 1.00 0.00 H new ATOM 0 HA HIS A 94 -1.619 8.108 -6.715 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -4.276 6.711 -7.302 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -4.038 7.811 -5.958 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -3.806 10.451 -6.580 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -4.490 7.782 -9.780 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -4.529 11.868 -8.584 1.00 0.00 H new ATOM 1443 N ASN A 95 -1.017 5.227 -6.015 1.00 0.00 N ATOM 1444 CA ASN A 95 -0.730 4.215 -4.992 1.00 0.00 C ATOM 1445 C ASN A 95 -0.355 4.845 -3.656 1.00 0.00 C ATOM 1446 O ASN A 95 -0.829 4.379 -2.615 1.00 0.00 O ATOM 1447 CB ASN A 95 0.322 3.193 -5.440 1.00 0.00 C ATOM 1448 CG ASN A 95 1.786 3.635 -5.389 1.00 0.00 C ATOM 1449 OD1 ASN A 95 2.343 3.894 -4.336 1.00 0.00 O ATOM 1450 ND2 ASN A 95 2.454 3.693 -6.523 1.00 0.00 N ATOM 0 H ASN A 95 -0.486 5.110 -6.878 1.00 0.00 H new ATOM 0 HA ASN A 95 -1.660 3.664 -4.850 1.00 0.00 H new ATOM 0 HB2 ASN A 95 0.215 2.303 -4.820 1.00 0.00 H new ATOM 0 HB3 ASN A 95 0.093 2.898 -6.464 1.00 0.00 H new ATOM 0 HD21 ASN A 95 3.440 3.955 -6.521 1.00 0.00 H new ATOM 0 HD22 ASN A 95 1.985 3.476 -7.403 1.00 0.00 H new ATOM 1457 N VAL A 96 0.424 5.924 -3.712 1.00 0.00 N ATOM 1458 CA VAL A 96 0.926 6.628 -2.559 1.00 0.00 C ATOM 1459 C VAL A 96 -0.233 7.326 -1.852 1.00 0.00 C ATOM 1460 O VAL A 96 -0.366 7.222 -0.634 1.00 0.00 O ATOM 1461 CB VAL A 96 2.008 7.631 -3.011 1.00 0.00 C ATOM 1462 CG1 VAL A 96 2.718 8.105 -1.758 1.00 0.00 C ATOM 1463 CG2 VAL A 96 3.066 7.041 -3.956 1.00 0.00 C ATOM 0 H VAL A 96 0.726 6.336 -4.595 1.00 0.00 H new ATOM 0 HA VAL A 96 1.382 5.934 -1.853 1.00 0.00 H new ATOM 0 HB VAL A 96 1.507 8.424 -3.566 1.00 0.00 H new ATOM 0 HG11 VAL A 96 3.496 8.819 -2.029 1.00 0.00 H new ATOM 0 HG12 VAL A 96 2.000 8.585 -1.092 1.00 0.00 H new ATOM 0 HG13 VAL A 96 3.169 7.252 -1.251 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.787 7.814 -4.223 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.582 6.221 -3.457 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.581 6.669 -4.859 1.00 0.00 H new ATOM 1473 N GLU A 97 -1.092 8.007 -2.605 1.00 0.00 N ATOM 1474 CA GLU A 97 -2.205 8.780 -2.075 1.00 0.00 C ATOM 1475 C GLU A 97 -3.237 7.848 -1.452 1.00 0.00 C ATOM 1476 O GLU A 97 -3.619 8.037 -0.303 1.00 0.00 O ATOM 1477 CB GLU A 97 -2.830 9.616 -3.184 1.00 0.00 C ATOM 1478 CG GLU A 97 -1.801 10.524 -3.861 1.00 0.00 C ATOM 1479 CD GLU A 97 -2.486 11.760 -4.428 1.00 0.00 C ATOM 1480 OE1 GLU A 97 -3.420 11.605 -5.250 1.00 0.00 O ATOM 1481 OE2 GLU A 97 -2.099 12.881 -4.036 1.00 0.00 O ATOM 0 H GLU A 97 -1.030 8.036 -3.623 1.00 0.00 H new ATOM 0 HA GLU A 97 -1.839 9.453 -1.300 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -3.278 8.957 -3.928 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -3.635 10.224 -2.771 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -1.037 10.820 -3.142 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -1.295 9.981 -4.659 1.00 0.00 H new ATOM 1488 N LYS A 98 -3.593 6.761 -2.142 1.00 0.00 N ATOM 1489 CA LYS A 98 -4.452 5.716 -1.596 1.00 0.00 C ATOM 1490 C LYS A 98 -3.859 5.108 -0.320 1.00 0.00 C ATOM 1491 O LYS A 98 -4.591 4.631 0.548 1.00 0.00 O ATOM 1492 CB LYS A 98 -4.678 4.637 -2.645 1.00 0.00 C ATOM 1493 CG LYS A 98 -5.541 5.152 -3.800 1.00 0.00 C ATOM 1494 CD LYS A 98 -6.217 3.987 -4.519 1.00 0.00 C ATOM 1495 CE LYS A 98 -5.290 3.307 -5.538 1.00 0.00 C ATOM 1496 NZ LYS A 98 -5.668 1.899 -5.795 1.00 0.00 N ATOM 0 H LYS A 98 -3.290 6.584 -3.100 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.408 6.166 -1.329 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.717 4.296 -3.031 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.161 3.775 -2.184 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -6.296 5.840 -3.420 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -4.924 5.712 -4.502 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -6.545 3.252 -3.784 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -7.110 4.348 -5.029 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -5.315 3.863 -6.475 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -4.264 3.344 -5.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -4.993 1.475 -6.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -5.652 1.367 -4.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.625 1.865 -6.202 1.00 0.00 H new ATOM 1510 N LEU A 99 -2.529 5.044 -0.189 1.00 0.00 N ATOM 1511 CA LEU A 99 -1.899 4.593 1.050 1.00 0.00 C ATOM 1512 C LEU A 99 -1.981 5.697 2.109 1.00 0.00 C ATOM 1513 O LEU A 99 -2.038 5.404 3.303 1.00 0.00 O ATOM 1514 CB LEU A 99 -0.439 4.166 0.791 1.00 0.00 C ATOM 1515 CG LEU A 99 0.323 3.739 2.061 1.00 0.00 C ATOM 1516 CD1 LEU A 99 -0.323 2.529 2.724 1.00 0.00 C ATOM 1517 CD2 LEU A 99 1.763 3.360 1.729 1.00 0.00 C ATOM 0 H LEU A 99 -1.872 5.299 -0.926 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.434 3.721 1.426 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.433 3.339 0.081 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.093 4.993 0.321 1.00 0.00 H new ATOM 0 HG LEU A 99 0.295 4.593 2.737 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.242 2.258 3.616 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.348 2.772 3.004 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.326 1.691 2.027 1.00 0.00 H new ATOM 0 HD21 LEU A 99 2.280 3.062 2.641 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.767 2.530 1.022 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.272 4.216 1.286 1.00 0.00 H new ATOM 1529 N ARG A 100 -1.970 6.971 1.724 1.00 0.00 N ATOM 1530 CA ARG A 100 -2.095 8.100 2.610 1.00 0.00 C ATOM 1531 C ARG A 100 -3.516 8.204 3.169 1.00 0.00 C ATOM 1532 O ARG A 100 -3.669 8.509 4.351 1.00 0.00 O ATOM 1533 CB ARG A 100 -1.731 9.357 1.801 1.00 0.00 C ATOM 1534 CG ARG A 100 -0.965 10.296 2.707 1.00 0.00 C ATOM 1535 CD ARG A 100 -0.438 11.519 1.958 1.00 0.00 C ATOM 1536 NE ARG A 100 0.099 12.475 2.929 1.00 0.00 N ATOM 1537 CZ ARG A 100 0.368 13.759 2.692 1.00 0.00 C ATOM 1538 NH1 ARG A 100 0.486 14.233 1.461 1.00 0.00 N ATOM 1539 NH2 ARG A 100 0.496 14.575 3.730 1.00 0.00 N ATOM 0 H ARG A 100 -1.869 7.244 0.746 1.00 0.00 H new ATOM 0 HA ARG A 100 -1.428 7.988 3.465 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -1.128 9.089 0.933 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -2.632 9.842 1.425 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -1.613 10.622 3.521 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -0.130 9.761 3.159 1.00 0.00 H new ATOM 0 HD2 ARG A 100 0.338 11.223 1.252 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -1.238 11.980 1.378 1.00 0.00 H new ATOM 0 HE ARG A 100 0.284 12.128 3.870 1.00 0.00 H new ATOM 0 HH11 ARG A 100 0.370 13.610 0.661 1.00 0.00 H new ATOM 0 HH12 ARG A 100 0.692 15.221 1.312 1.00 0.00 H new ATOM 0 HH21 ARG A 100 0.389 14.215 4.678 1.00 0.00 H new ATOM 0 HH22 ARG A 100 0.702 15.563 3.580 1.00 0.00 H new ATOM 1553 N ASP A 101 -4.530 7.887 2.356 1.00 0.00 N ATOM 1554 CA ASP A 101 -5.938 7.769 2.749 1.00 0.00 C ATOM 1555 C ASP A 101 -6.060 6.853 3.963 1.00 0.00 C ATOM 1556 O ASP A 101 -6.649 7.234 4.971 1.00 0.00 O ATOM 1557 CB ASP A 101 -6.788 7.240 1.578 1.00 0.00 C ATOM 1558 CG ASP A 101 -8.239 6.917 1.974 1.00 0.00 C ATOM 1559 OD1 ASP A 101 -8.753 7.441 2.986 1.00 0.00 O ATOM 1560 OD2 ASP A 101 -8.885 6.107 1.269 1.00 0.00 O ATOM 0 H ASP A 101 -4.385 7.698 1.364 1.00 0.00 H new ATOM 0 HA ASP A 101 -6.314 8.757 3.015 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -6.794 7.981 0.779 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -6.320 6.341 1.176 1.00 0.00 H new