USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=15 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 Single : A 18 GLN : amide:sc= 1.14 K(o=1.1,f=-0.48) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 47:sc= 1.27 USER MOD Single : A 29 THR OG1 : rot 160:sc= 0.199 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 -23:sc= 1.03 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -158:sc= 1.01 (180deg=0.65) USER MOD Single : A 41 THR OG1 : rot 77:sc= 1.22 USER MOD Single : A 43 ASN : amide:sc= -1.26! C(o=-1.3!,f=-2.6!) USER MOD Single : A 44 ASN : amide:sc= -0.515 X(o=-0.51,f=-0.016) USER MOD Single : A 47 GLN :FLIP amide:sc=-0.000126 F(o=-2.9!,f=-0.00013) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.328 K(o=-0.33,f=-3.2!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 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= -0.415 X(o=-0.42,f=-0.57) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl -172:sc= -0.0118 (180deg=-0.169) USER MOD Single : A 87 GLN : amide:sc= -0.121 K(o=-0.12,f=-2.2!) USER MOD Single : A 91 ASN : amide:sc= -0.305 X(o=-0.3,f=-0.3) USER MOD Single : A 94 HIS : no HD1:sc= -0.0609 X(o=-0.061,f=-0.0046) USER MOD Single : A 95 ASN : amide:sc= 0.107 K(o=0.11,f=-5.2!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 171 N ILE A 17 -6.374 -13.521 -5.057 1.00 0.00 N ATOM 172 CA ILE A 17 -4.954 -13.190 -5.214 1.00 0.00 C ATOM 173 C ILE A 17 -4.138 -14.382 -5.730 1.00 0.00 C ATOM 174 O ILE A 17 -3.278 -14.209 -6.587 1.00 0.00 O ATOM 175 CB ILE A 17 -4.386 -12.593 -3.900 1.00 0.00 C ATOM 176 CG1 ILE A 17 -2.886 -12.228 -3.987 1.00 0.00 C ATOM 177 CG2 ILE A 17 -4.580 -13.526 -2.688 1.00 0.00 C ATOM 178 CD1 ILE A 17 -2.526 -11.188 -5.049 1.00 0.00 C ATOM 0 HA ILE A 17 -4.867 -12.422 -5.982 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.965 -11.680 -3.758 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.563 -11.857 -3.015 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.319 -13.137 -4.186 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.163 -13.056 -1.797 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.644 -13.710 -2.537 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.070 -14.472 -2.872 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.452 -11.003 -5.028 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -2.811 -11.560 -6.033 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.058 -10.259 -4.844 1.00 0.00 H new ATOM 190 N GLN A 18 -4.403 -15.600 -5.251 1.00 0.00 N ATOM 191 CA GLN A 18 -3.616 -16.773 -5.623 1.00 0.00 C ATOM 192 C GLN A 18 -3.730 -17.105 -7.108 1.00 0.00 C ATOM 193 O GLN A 18 -2.784 -17.652 -7.663 1.00 0.00 O ATOM 194 CB GLN A 18 -4.029 -17.970 -4.764 1.00 0.00 C ATOM 195 CG GLN A 18 -3.359 -17.852 -3.391 1.00 0.00 C ATOM 196 CD GLN A 18 -4.034 -18.676 -2.305 1.00 0.00 C ATOM 197 OE1 GLN A 18 -4.846 -19.566 -2.566 1.00 0.00 O ATOM 198 NE2 GLN A 18 -3.743 -18.339 -1.064 1.00 0.00 N ATOM 0 H GLN A 18 -5.163 -15.798 -4.600 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.568 -16.539 -5.437 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.113 -17.998 -4.653 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.734 -18.901 -5.248 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.318 -18.165 -3.477 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -3.353 -16.805 -3.089 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.066 -17.598 -0.882 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -4.195 -18.819 -0.286 1.00 0.00 H new ATOM 207 N GLU A 19 -4.831 -16.745 -7.767 1.00 0.00 N ATOM 208 CA GLU A 19 -4.977 -16.893 -9.203 1.00 0.00 C ATOM 209 C GLU A 19 -4.054 -15.917 -9.916 1.00 0.00 C ATOM 210 O GLU A 19 -3.377 -16.295 -10.866 1.00 0.00 O ATOM 211 CB GLU A 19 -6.421 -16.616 -9.625 1.00 0.00 C ATOM 212 CG GLU A 19 -6.623 -17.064 -11.079 1.00 0.00 C ATOM 213 CD GLU A 19 -8.055 -17.483 -11.382 1.00 0.00 C ATOM 214 OE1 GLU A 19 -8.513 -18.473 -10.766 1.00 0.00 O ATOM 215 OE2 GLU A 19 -8.651 -16.899 -12.320 1.00 0.00 O ATOM 0 H GLU A 19 -5.649 -16.340 -7.311 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.715 -17.916 -9.474 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.111 -17.148 -8.970 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.643 -15.553 -9.526 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.340 -16.250 -11.746 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.954 -17.898 -11.292 1.00 0.00 H new ATOM 222 N ILE A 20 -4.010 -14.668 -9.456 1.00 0.00 N ATOM 223 CA ILE A 20 -3.155 -13.634 -10.017 1.00 0.00 C ATOM 224 C ILE A 20 -1.690 -14.020 -9.802 1.00 0.00 C ATOM 225 O ILE A 20 -0.879 -13.888 -10.713 1.00 0.00 O ATOM 226 CB ILE A 20 -3.497 -12.270 -9.388 1.00 0.00 C ATOM 227 CG1 ILE A 20 -4.996 -11.901 -9.485 1.00 0.00 C ATOM 228 CG2 ILE A 20 -2.617 -11.190 -10.023 1.00 0.00 C ATOM 229 CD1 ILE A 20 -5.599 -11.939 -10.895 1.00 0.00 C ATOM 0 H ILE A 20 -4.577 -14.345 -8.672 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.324 -13.545 -11.090 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.289 -12.341 -8.320 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -5.561 -12.583 -8.849 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.132 -10.899 -9.078 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.854 -10.222 -9.582 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.568 -11.423 -9.843 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.802 -11.155 -11.097 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -6.653 -11.664 -10.848 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.069 -11.235 -11.537 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.505 -12.945 -11.304 1.00 0.00 H new ATOM 241 N VAL A 21 -1.329 -14.537 -8.630 1.00 0.00 N ATOM 242 CA VAL A 21 0.006 -15.062 -8.375 1.00 0.00 C ATOM 243 C VAL A 21 0.271 -16.238 -9.315 1.00 0.00 C ATOM 244 O VAL A 21 1.374 -16.370 -9.839 1.00 0.00 O ATOM 245 CB VAL A 21 0.130 -15.455 -6.895 1.00 0.00 C ATOM 246 CG1 VAL A 21 1.490 -16.076 -6.567 1.00 0.00 C ATOM 247 CG2 VAL A 21 -0.035 -14.240 -5.975 1.00 0.00 C ATOM 0 H VAL A 21 -1.957 -14.603 -7.829 1.00 0.00 H new ATOM 0 HA VAL A 21 0.762 -14.303 -8.573 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.663 -16.183 -6.726 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.526 -16.336 -5.509 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.634 -16.975 -7.166 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.281 -15.360 -6.792 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.059 -14.555 -4.936 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.737 -13.504 -6.202 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.018 -13.795 -6.132 1.00 0.00 H new ATOM 257 N ALA A 22 -0.730 -17.075 -9.571 1.00 0.00 N ATOM 258 CA ALA A 22 -0.589 -18.227 -10.448 1.00 0.00 C ATOM 259 C ALA A 22 -0.339 -17.767 -11.889 1.00 0.00 C ATOM 260 O ALA A 22 0.499 -18.343 -12.575 1.00 0.00 O ATOM 261 CB ALA A 22 -1.818 -19.137 -10.329 1.00 0.00 C ATOM 0 H ALA A 22 -1.664 -16.971 -9.174 1.00 0.00 H new ATOM 0 HA ALA A 22 0.277 -18.814 -10.142 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.700 -19.996 -10.990 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.917 -19.482 -9.300 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.711 -18.581 -10.612 1.00 0.00 H new ATOM 267 N MET A 23 -1.026 -16.727 -12.368 1.00 0.00 N ATOM 268 CA MET A 23 -0.761 -16.117 -13.673 1.00 0.00 C ATOM 269 C MET A 23 0.405 -15.122 -13.613 1.00 0.00 C ATOM 270 O MET A 23 0.695 -14.503 -14.637 1.00 0.00 O ATOM 271 CB MET A 23 -2.025 -15.486 -14.308 1.00 0.00 C ATOM 272 CG MET A 23 -2.893 -14.643 -13.387 1.00 0.00 C ATOM 273 SD MET A 23 -3.727 -13.228 -14.149 1.00 0.00 S ATOM 274 CE MET A 23 -4.948 -14.090 -15.173 1.00 0.00 C ATOM 0 H MET A 23 -1.788 -16.281 -11.857 1.00 0.00 H new ATOM 0 HA MET A 23 -0.460 -16.930 -14.334 1.00 0.00 H new ATOM 0 HB2 MET A 23 -1.712 -14.864 -15.147 1.00 0.00 H new ATOM 0 HB3 MET A 23 -2.639 -16.288 -14.717 1.00 0.00 H new ATOM 0 HG2 MET A 23 -3.651 -15.289 -12.944 1.00 0.00 H new ATOM 0 HG3 MET A 23 -2.271 -14.275 -12.571 1.00 0.00 H new ATOM 0 HE1 MET A 23 -5.550 -13.360 -15.714 1.00 0.00 H new ATOM 0 HE2 MET A 23 -4.435 -14.736 -15.885 1.00 0.00 H new ATOM 0 HE3 MET A 23 -5.595 -14.694 -14.537 1.00 0.00 H new ATOM 284 N SER A 24 1.077 -14.914 -12.477 1.00 0.00 N ATOM 285 CA SER A 24 2.218 -14.010 -12.440 1.00 0.00 C ATOM 286 C SER A 24 3.410 -14.680 -13.144 1.00 0.00 C ATOM 287 O SER A 24 3.640 -15.879 -12.939 1.00 0.00 O ATOM 288 CB SER A 24 2.555 -13.578 -11.007 1.00 0.00 C ATOM 289 OG SER A 24 1.521 -12.740 -10.525 1.00 0.00 O ATOM 0 H SER A 24 0.851 -15.355 -11.585 1.00 0.00 H new ATOM 0 HA SER A 24 1.968 -13.093 -12.974 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.661 -14.452 -10.365 1.00 0.00 H new ATOM 0 HB3 SER A 24 3.508 -13.050 -10.987 1.00 0.00 H new ATOM 0 HG SER A 24 0.651 -13.143 -10.730 1.00 0.00 H new ATOM 295 N PRO A 25 4.155 -13.933 -13.976 1.00 0.00 N ATOM 296 CA PRO A 25 5.455 -14.347 -14.491 1.00 0.00 C ATOM 297 C PRO A 25 6.476 -14.366 -13.343 1.00 0.00 C ATOM 298 O PRO A 25 6.129 -14.057 -12.198 1.00 0.00 O ATOM 299 CB PRO A 25 5.793 -13.334 -15.588 1.00 0.00 C ATOM 300 CG PRO A 25 5.102 -12.058 -15.114 1.00 0.00 C ATOM 301 CD PRO A 25 3.878 -12.555 -14.359 1.00 0.00 C ATOM 0 HA PRO A 25 5.462 -15.355 -14.906 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.869 -13.195 -15.689 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.421 -13.655 -16.561 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.754 -11.467 -14.471 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.821 -11.422 -15.953 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.689 -11.939 -13.480 1.00 0.00 H new ATOM 0 HD3 PRO A 25 2.988 -12.499 -14.985 1.00 0.00 H new ATOM 309 N GLU A 26 7.723 -14.762 -13.617 1.00 0.00 N ATOM 310 CA GLU A 26 8.784 -14.554 -12.645 1.00 0.00 C ATOM 311 C GLU A 26 8.912 -13.050 -12.372 1.00 0.00 C ATOM 312 O GLU A 26 8.925 -12.240 -13.306 1.00 0.00 O ATOM 313 CB GLU A 26 10.117 -15.177 -13.102 1.00 0.00 C ATOM 314 CG GLU A 26 10.710 -15.963 -11.941 1.00 0.00 C ATOM 315 CD GLU A 26 12.164 -16.398 -12.086 1.00 0.00 C ATOM 316 OE1 GLU A 26 12.629 -16.711 -13.199 1.00 0.00 O ATOM 317 OE2 GLU A 26 12.841 -16.496 -11.030 1.00 0.00 O ATOM 0 H GLU A 26 8.012 -15.217 -14.483 1.00 0.00 H new ATOM 0 HA GLU A 26 8.526 -15.064 -11.717 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.955 -15.832 -13.958 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.808 -14.398 -13.423 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.624 -15.357 -11.039 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.101 -16.854 -11.786 1.00 0.00 H new ATOM 324 N LEU A 27 8.991 -12.698 -11.091 1.00 0.00 N ATOM 325 CA LEU A 27 8.976 -11.341 -10.562 1.00 0.00 C ATOM 326 C LEU A 27 10.290 -11.137 -9.817 1.00 0.00 C ATOM 327 O LEU A 27 10.741 -12.030 -9.090 1.00 0.00 O ATOM 328 CB LEU A 27 7.753 -11.168 -9.659 1.00 0.00 C ATOM 329 CG LEU A 27 6.726 -10.184 -10.237 1.00 0.00 C ATOM 330 CD1 LEU A 27 6.106 -10.638 -11.556 1.00 0.00 C ATOM 331 CD2 LEU A 27 5.618 -10.017 -9.214 1.00 0.00 C ATOM 0 H LEU A 27 9.072 -13.396 -10.352 1.00 0.00 H new ATOM 0 HA LEU A 27 8.896 -10.590 -11.347 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.277 -12.137 -9.509 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.076 -10.816 -8.679 1.00 0.00 H new ATOM 0 HG LEU A 27 7.252 -9.253 -10.447 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.392 -9.890 -11.899 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.890 -10.761 -12.303 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.593 -11.589 -11.409 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.871 -9.322 -9.597 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.150 -10.983 -9.023 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.035 -9.626 -8.286 1.00 0.00 H new ATOM 343 N ASP A 28 10.924 -9.980 -9.995 1.00 0.00 N ATOM 344 CA ASP A 28 12.208 -9.693 -9.357 1.00 0.00 C ATOM 345 C ASP A 28 11.936 -9.271 -7.917 1.00 0.00 C ATOM 346 O ASP A 28 11.763 -8.081 -7.651 1.00 0.00 O ATOM 347 CB ASP A 28 13.006 -8.601 -10.093 1.00 0.00 C ATOM 348 CG ASP A 28 13.885 -9.083 -11.243 1.00 0.00 C ATOM 349 OD1 ASP A 28 14.028 -10.304 -11.476 1.00 0.00 O ATOM 350 OD2 ASP A 28 14.528 -8.210 -11.870 1.00 0.00 O ATOM 0 H ASP A 28 10.568 -9.223 -10.578 1.00 0.00 H new ATOM 0 HA ASP A 28 12.822 -10.593 -9.391 1.00 0.00 H new ATOM 0 HB2 ASP A 28 12.304 -7.864 -10.482 1.00 0.00 H new ATOM 0 HB3 ASP A 28 13.638 -8.088 -9.368 1.00 0.00 H new ATOM 355 N THR A 29 11.902 -10.230 -6.988 1.00 0.00 N ATOM 356 CA THR A 29 11.623 -10.007 -5.569 1.00 0.00 C ATOM 357 C THR A 29 12.408 -8.804 -5.043 1.00 0.00 C ATOM 358 O THR A 29 11.822 -7.822 -4.591 1.00 0.00 O ATOM 359 CB THR A 29 11.904 -11.288 -4.755 1.00 0.00 C ATOM 360 OG1 THR A 29 13.180 -11.838 -5.043 1.00 0.00 O ATOM 361 CG2 THR A 29 10.863 -12.366 -5.053 1.00 0.00 C ATOM 0 H THR A 29 12.073 -11.211 -7.210 1.00 0.00 H new ATOM 0 HA THR A 29 10.565 -9.773 -5.451 1.00 0.00 H new ATOM 0 HB THR A 29 11.863 -10.990 -3.707 1.00 0.00 H new ATOM 0 HG1 THR A 29 13.452 -12.433 -4.313 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.084 -13.258 -4.467 1.00 0.00 H new ATOM 0 HG22 THR A 29 9.871 -11.997 -4.791 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.889 -12.614 -6.114 1.00 0.00 H new ATOM 369 N TYR A 30 13.733 -8.864 -5.161 1.00 0.00 N ATOM 370 CA TYR A 30 14.677 -7.836 -4.800 1.00 0.00 C ATOM 371 C TYR A 30 14.337 -6.470 -5.387 1.00 0.00 C ATOM 372 O TYR A 30 14.262 -5.485 -4.647 1.00 0.00 O ATOM 373 CB TYR A 30 16.035 -8.315 -5.310 1.00 0.00 C ATOM 374 CG TYR A 30 17.182 -7.516 -4.759 1.00 0.00 C ATOM 375 CD1 TYR A 30 17.381 -7.489 -3.370 1.00 0.00 C ATOM 376 CD2 TYR A 30 18.002 -6.766 -5.618 1.00 0.00 C ATOM 377 CE1 TYR A 30 18.459 -6.759 -2.837 1.00 0.00 C ATOM 378 CE2 TYR A 30 19.027 -5.968 -5.083 1.00 0.00 C ATOM 379 CZ TYR A 30 19.300 -6.016 -3.699 1.00 0.00 C ATOM 380 OH TYR A 30 20.367 -5.338 -3.201 1.00 0.00 O ATOM 0 H TYR A 30 14.195 -9.692 -5.538 1.00 0.00 H new ATOM 0 HA TYR A 30 14.665 -7.690 -3.720 1.00 0.00 H new ATOM 0 HB2 TYR A 30 16.168 -9.364 -5.044 1.00 0.00 H new ATOM 0 HB3 TYR A 30 16.049 -8.258 -6.398 1.00 0.00 H new ATOM 0 HD1 TYR A 30 16.711 -8.025 -2.714 1.00 0.00 H new ATOM 0 HD2 TYR A 30 17.845 -6.803 -6.686 1.00 0.00 H new ATOM 0 HE1 TYR A 30 18.644 -6.766 -1.773 1.00 0.00 H new ATOM 0 HE2 TYR A 30 19.603 -5.321 -5.728 1.00 0.00 H new ATOM 0 HH TYR A 30 20.836 -4.884 -3.932 1.00 0.00 H new ATOM 390 N SER A 31 14.151 -6.405 -6.705 1.00 0.00 N ATOM 391 CA SER A 31 13.858 -5.149 -7.383 1.00 0.00 C ATOM 392 C SER A 31 12.564 -4.552 -6.847 1.00 0.00 C ATOM 393 O SER A 31 12.555 -3.380 -6.477 1.00 0.00 O ATOM 394 CB SER A 31 13.833 -5.323 -8.905 1.00 0.00 C ATOM 395 OG SER A 31 14.161 -4.100 -9.530 1.00 0.00 O ATOM 0 H SER A 31 14.199 -7.214 -7.325 1.00 0.00 H new ATOM 0 HA SER A 31 14.662 -4.444 -7.170 1.00 0.00 H new ATOM 0 HB2 SER A 31 14.541 -6.096 -9.204 1.00 0.00 H new ATOM 0 HB3 SER A 31 12.845 -5.653 -9.227 1.00 0.00 H new ATOM 0 HG SER A 31 14.146 -4.215 -10.503 1.00 0.00 H new ATOM 401 N ILE A 32 11.509 -5.358 -6.710 1.00 0.00 N ATOM 402 CA ILE A 32 10.242 -4.919 -6.141 1.00 0.00 C ATOM 403 C ILE A 32 10.515 -4.359 -4.745 1.00 0.00 C ATOM 404 O ILE A 32 10.167 -3.213 -4.491 1.00 0.00 O ATOM 405 CB ILE A 32 9.202 -6.066 -6.181 1.00 0.00 C ATOM 406 CG1 ILE A 32 8.862 -6.414 -7.644 1.00 0.00 C ATOM 407 CG2 ILE A 32 7.911 -5.705 -5.425 1.00 0.00 C ATOM 408 CD1 ILE A 32 8.215 -7.791 -7.791 1.00 0.00 C ATOM 0 H ILE A 32 11.514 -6.338 -6.993 1.00 0.00 H new ATOM 0 HA ILE A 32 9.795 -4.118 -6.730 1.00 0.00 H new ATOM 0 HB ILE A 32 9.648 -6.928 -5.684 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.189 -5.657 -8.046 1.00 0.00 H new ATOM 0 HG13 ILE A 32 9.773 -6.380 -8.242 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.212 -6.539 -5.480 1.00 0.00 H new ATOM 0 HG22 ILE A 32 8.147 -5.498 -4.381 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.459 -4.822 -5.877 1.00 0.00 H new ATOM 0 HD11 ILE A 32 7.998 -7.981 -8.842 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.897 -8.555 -7.417 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.288 -7.820 -7.218 1.00 0.00 H new ATOM 420 N THR A 33 11.187 -5.089 -3.848 1.00 0.00 N ATOM 421 CA THR A 33 11.392 -4.596 -2.485 1.00 0.00 C ATOM 422 C THR A 33 12.124 -3.259 -2.445 1.00 0.00 C ATOM 423 O THR A 33 11.752 -2.384 -1.672 1.00 0.00 O ATOM 424 CB THR A 33 12.142 -5.613 -1.622 1.00 0.00 C ATOM 425 OG1 THR A 33 13.434 -5.929 -2.101 1.00 0.00 O ATOM 426 CG2 THR A 33 11.362 -6.916 -1.495 1.00 0.00 C ATOM 0 H THR A 33 11.591 -6.006 -4.037 1.00 0.00 H new ATOM 0 HA THR A 33 10.393 -4.446 -2.075 1.00 0.00 H new ATOM 0 HB THR A 33 12.246 -5.124 -0.654 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.482 -5.741 -3.062 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.922 -7.617 -0.876 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.395 -6.717 -1.034 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.210 -7.347 -2.485 1.00 0.00 H new ATOM 434 N LYS A 34 13.159 -3.106 -3.270 1.00 0.00 N ATOM 435 CA LYS A 34 13.933 -1.891 -3.393 1.00 0.00 C ATOM 436 C LYS A 34 12.980 -0.803 -3.841 1.00 0.00 C ATOM 437 O LYS A 34 12.795 0.143 -3.092 1.00 0.00 O ATOM 438 CB LYS A 34 15.104 -2.123 -4.359 1.00 0.00 C ATOM 439 CG LYS A 34 15.725 -0.825 -4.890 1.00 0.00 C ATOM 440 CD LYS A 34 17.257 -0.854 -4.981 1.00 0.00 C ATOM 441 CE LYS A 34 17.868 -0.290 -3.694 1.00 0.00 C ATOM 442 NZ LYS A 34 19.248 0.184 -3.904 1.00 0.00 N ATOM 0 H LYS A 34 13.484 -3.851 -3.885 1.00 0.00 H new ATOM 0 HA LYS A 34 14.385 -1.584 -2.450 1.00 0.00 H new ATOM 0 HB2 LYS A 34 15.874 -2.704 -3.851 1.00 0.00 H new ATOM 0 HB3 LYS A 34 14.757 -2.722 -5.201 1.00 0.00 H new ATOM 0 HG2 LYS A 34 15.317 -0.618 -5.879 1.00 0.00 H new ATOM 0 HG3 LYS A 34 15.426 -0.001 -4.243 1.00 0.00 H new ATOM 0 HD2 LYS A 34 17.601 -1.876 -5.139 1.00 0.00 H new ATOM 0 HD3 LYS A 34 17.590 -0.269 -5.838 1.00 0.00 H new ATOM 0 HE2 LYS A 34 17.253 0.533 -3.330 1.00 0.00 H new ATOM 0 HE3 LYS A 34 17.862 -1.059 -2.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 19.626 0.558 -3.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 19.841 -0.607 -4.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 19.251 0.936 -4.623 1.00 0.00 H new ATOM 456 N ARG A 35 12.360 -0.941 -5.009 1.00 0.00 N ATOM 457 CA ARG A 35 11.489 0.065 -5.605 1.00 0.00 C ATOM 458 C ARG A 35 10.369 0.470 -4.647 1.00 0.00 C ATOM 459 O ARG A 35 10.041 1.644 -4.539 1.00 0.00 O ATOM 460 CB ARG A 35 10.962 -0.513 -6.931 1.00 0.00 C ATOM 461 CG ARG A 35 10.616 0.553 -7.974 1.00 0.00 C ATOM 462 CD ARG A 35 9.230 1.140 -7.723 1.00 0.00 C ATOM 463 NE ARG A 35 8.612 1.753 -8.908 1.00 0.00 N ATOM 464 CZ ARG A 35 7.996 1.114 -9.909 1.00 0.00 C ATOM 465 NH1 ARG A 35 8.143 -0.197 -10.070 1.00 0.00 N ATOM 466 NH2 ARG A 35 7.221 1.784 -10.739 1.00 0.00 N ATOM 0 H ARG A 35 12.453 -1.779 -5.583 1.00 0.00 H new ATOM 0 HA ARG A 35 12.038 0.985 -5.805 1.00 0.00 H new ATOM 0 HB2 ARG A 35 11.712 -1.186 -7.347 1.00 0.00 H new ATOM 0 HB3 ARG A 35 10.074 -1.112 -6.728 1.00 0.00 H new ATOM 0 HG2 ARG A 35 11.361 1.348 -7.946 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.653 0.115 -8.972 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.575 0.351 -7.352 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.302 1.890 -6.936 1.00 0.00 H new ATOM 0 HE ARG A 35 8.658 2.770 -8.974 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.731 -0.727 -9.427 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.668 -0.673 -10.837 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.092 2.788 -10.618 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.751 1.298 -11.503 1.00 0.00 H new ATOM 480 N VAL A 36 9.799 -0.487 -3.922 1.00 0.00 N ATOM 481 CA VAL A 36 8.781 -0.242 -2.919 1.00 0.00 C ATOM 482 C VAL A 36 9.379 0.618 -1.797 1.00 0.00 C ATOM 483 O VAL A 36 8.805 1.641 -1.434 1.00 0.00 O ATOM 484 CB VAL A 36 8.227 -1.606 -2.456 1.00 0.00 C ATOM 485 CG1 VAL A 36 7.415 -1.479 -1.167 1.00 0.00 C ATOM 486 CG2 VAL A 36 7.287 -2.223 -3.516 1.00 0.00 C ATOM 0 H VAL A 36 10.040 -1.473 -4.021 1.00 0.00 H new ATOM 0 HA VAL A 36 7.937 0.326 -3.310 1.00 0.00 H new ATOM 0 HB VAL A 36 9.099 -2.240 -2.296 1.00 0.00 H new ATOM 0 HG11 VAL A 36 7.042 -2.460 -0.874 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.049 -1.080 -0.375 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.574 -0.806 -1.332 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.915 -3.183 -3.158 1.00 0.00 H new ATOM 0 HG22 VAL A 36 6.447 -1.551 -3.693 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.835 -2.371 -4.446 1.00 0.00 H new ATOM 496 N LYS A 37 10.524 0.223 -1.233 1.00 0.00 N ATOM 497 CA LYS A 37 11.204 0.990 -0.191 1.00 0.00 C ATOM 498 C LYS A 37 11.561 2.388 -0.657 1.00 0.00 C ATOM 499 O LYS A 37 11.433 3.305 0.149 1.00 0.00 O ATOM 500 CB LYS A 37 12.488 0.285 0.239 1.00 0.00 C ATOM 501 CG LYS A 37 12.205 -0.858 1.202 1.00 0.00 C ATOM 502 CD LYS A 37 13.507 -1.432 1.776 1.00 0.00 C ATOM 503 CE LYS A 37 14.393 -2.069 0.705 1.00 0.00 C ATOM 504 NZ LYS A 37 15.528 -2.785 1.315 1.00 0.00 N ATOM 0 H LYS A 37 11.005 -0.640 -1.488 1.00 0.00 H new ATOM 0 HA LYS A 37 10.511 1.063 0.647 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.005 -0.099 -0.641 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.157 1.003 0.713 1.00 0.00 H new ATOM 0 HG2 LYS A 37 11.571 -0.504 2.015 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.654 -1.644 0.686 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.061 -0.637 2.275 1.00 0.00 H new ATOM 0 HD3 LYS A 37 13.268 -2.177 2.534 1.00 0.00 H new ATOM 0 HE2 LYS A 37 13.803 -2.761 0.104 1.00 0.00 H new ATOM 0 HE3 LYS A 37 14.765 -1.298 0.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 16.292 -2.883 0.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 15.876 -2.249 2.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 15.218 -3.729 1.624 1.00 0.00 H new ATOM 518 N GLU A 38 12.016 2.541 -1.902 1.00 0.00 N ATOM 519 CA GLU A 38 12.288 3.844 -2.501 1.00 0.00 C ATOM 520 C GLU A 38 11.029 4.692 -2.372 1.00 0.00 C ATOM 521 O GLU A 38 11.061 5.684 -1.660 1.00 0.00 O ATOM 522 CB GLU A 38 12.737 3.753 -3.968 1.00 0.00 C ATOM 523 CG GLU A 38 14.042 2.995 -4.205 1.00 0.00 C ATOM 524 CD GLU A 38 15.265 3.706 -3.641 1.00 0.00 C ATOM 525 OE1 GLU A 38 15.739 4.674 -4.272 1.00 0.00 O ATOM 526 OE2 GLU A 38 15.773 3.230 -2.594 1.00 0.00 O ATOM 0 H GLU A 38 12.207 1.757 -2.526 1.00 0.00 H new ATOM 0 HA GLU A 38 13.122 4.302 -1.969 1.00 0.00 H new ATOM 0 HB2 GLU A 38 11.947 3.271 -4.544 1.00 0.00 H new ATOM 0 HB3 GLU A 38 12.847 4.764 -4.361 1.00 0.00 H new ATOM 0 HG2 GLU A 38 13.966 2.006 -3.754 1.00 0.00 H new ATOM 0 HG3 GLU A 38 14.178 2.847 -5.276 1.00 0.00 H new ATOM 533 N VAL A 39 9.911 4.267 -2.967 1.00 0.00 N ATOM 534 CA VAL A 39 8.651 5.005 -2.950 1.00 0.00 C ATOM 535 C VAL A 39 8.207 5.334 -1.512 1.00 0.00 C ATOM 536 O VAL A 39 7.775 6.458 -1.249 1.00 0.00 O ATOM 537 CB VAL A 39 7.604 4.207 -3.762 1.00 0.00 C ATOM 538 CG1 VAL A 39 6.184 4.764 -3.631 1.00 0.00 C ATOM 539 CG2 VAL A 39 7.957 4.213 -5.259 1.00 0.00 C ATOM 0 H VAL A 39 9.858 3.387 -3.481 1.00 0.00 H new ATOM 0 HA VAL A 39 8.774 5.977 -3.428 1.00 0.00 H new ATOM 0 HB VAL A 39 7.628 3.199 -3.348 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.499 4.158 -4.225 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.878 4.738 -2.585 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.162 5.793 -3.989 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.208 3.646 -5.812 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.977 5.240 -5.624 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.936 3.757 -5.404 1.00 0.00 H new ATOM 549 N LEU A 40 8.311 4.389 -0.569 1.00 0.00 N ATOM 550 CA LEU A 40 7.915 4.633 0.820 1.00 0.00 C ATOM 551 C LEU A 40 8.837 5.656 1.481 1.00 0.00 C ATOM 552 O LEU A 40 8.350 6.532 2.191 1.00 0.00 O ATOM 553 CB LEU A 40 7.887 3.329 1.638 1.00 0.00 C ATOM 554 CG LEU A 40 6.829 2.315 1.163 1.00 0.00 C ATOM 555 CD1 LEU A 40 7.086 0.961 1.835 1.00 0.00 C ATOM 556 CD2 LEU A 40 5.402 2.781 1.468 1.00 0.00 C ATOM 0 H LEU A 40 8.666 3.449 -0.745 1.00 0.00 H new ATOM 0 HA LEU A 40 6.904 5.039 0.801 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.871 2.861 1.591 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.699 3.572 2.684 1.00 0.00 H new ATOM 0 HG LEU A 40 6.917 2.224 0.080 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.339 0.241 1.501 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.080 0.604 1.565 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.022 1.074 2.917 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.692 2.033 1.115 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.285 2.913 2.544 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.213 3.728 0.963 1.00 0.00 H new ATOM 568 N THR A 41 10.146 5.566 1.259 1.00 0.00 N ATOM 569 CA THR A 41 11.134 6.515 1.745 1.00 0.00 C ATOM 570 C THR A 41 10.834 7.897 1.167 1.00 0.00 C ATOM 571 O THR A 41 10.713 8.868 1.911 1.00 0.00 O ATOM 572 CB THR A 41 12.519 5.996 1.332 1.00 0.00 C ATOM 573 OG1 THR A 41 12.762 4.767 1.986 1.00 0.00 O ATOM 574 CG2 THR A 41 13.637 6.981 1.633 1.00 0.00 C ATOM 0 H THR A 41 10.557 4.805 0.718 1.00 0.00 H new ATOM 0 HA THR A 41 11.105 6.610 2.830 1.00 0.00 H new ATOM 0 HB THR A 41 12.513 5.861 0.250 1.00 0.00 H new ATOM 0 HG1 THR A 41 12.258 4.054 1.541 1.00 0.00 H new ATOM 0 HG21 THR A 41 14.590 6.557 1.318 1.00 0.00 H new ATOM 0 HG22 THR A 41 13.458 7.911 1.093 1.00 0.00 H new ATOM 0 HG23 THR A 41 13.665 7.183 2.704 1.00 0.00 H new ATOM 582 N ASP A 42 10.653 7.968 -0.147 1.00 0.00 N ATOM 583 CA ASP A 42 10.489 9.164 -0.964 1.00 0.00 C ATOM 584 C ASP A 42 9.180 9.898 -0.653 1.00 0.00 C ATOM 585 O ASP A 42 8.968 11.005 -1.148 1.00 0.00 O ATOM 586 CB ASP A 42 10.531 8.739 -2.444 1.00 0.00 C ATOM 587 CG ASP A 42 11.924 8.381 -2.975 1.00 0.00 C ATOM 588 OD1 ASP A 42 12.946 8.665 -2.308 1.00 0.00 O ATOM 589 OD2 ASP A 42 12.025 7.780 -4.069 1.00 0.00 O ATOM 0 H ASP A 42 10.614 7.121 -0.714 1.00 0.00 H new ATOM 0 HA ASP A 42 11.296 9.862 -0.741 1.00 0.00 H new ATOM 0 HB2 ASP A 42 9.875 7.879 -2.578 1.00 0.00 H new ATOM 0 HB3 ASP A 42 10.124 9.548 -3.051 1.00 0.00 H new ATOM 594 N ASN A 43 8.293 9.306 0.151 1.00 0.00 N ATOM 595 CA ASN A 43 7.051 9.907 0.644 1.00 0.00 C ATOM 596 C ASN A 43 6.986 9.915 2.175 1.00 0.00 C ATOM 597 O ASN A 43 5.947 10.263 2.735 1.00 0.00 O ATOM 598 CB ASN A 43 5.848 9.167 0.045 1.00 0.00 C ATOM 599 CG ASN A 43 5.713 9.457 -1.438 1.00 0.00 C ATOM 600 OD1 ASN A 43 4.953 10.337 -1.829 1.00 0.00 O ATOM 601 ND2 ASN A 43 6.397 8.702 -2.281 1.00 0.00 N ATOM 0 H ASN A 43 8.427 8.354 0.491 1.00 0.00 H new ATOM 0 HA ASN A 43 7.026 10.949 0.324 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.963 8.094 0.200 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.937 9.468 0.562 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.300 8.844 -3.286 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.021 7.978 -1.926 1.00 0.00 H new ATOM 608 N ASN A 44 8.082 9.519 2.831 1.00 0.00 N ATOM 609 CA ASN A 44 8.282 9.309 4.260 1.00 0.00 C ATOM 610 C ASN A 44 7.120 8.576 4.929 1.00 0.00 C ATOM 611 O ASN A 44 6.424 9.086 5.817 1.00 0.00 O ATOM 612 CB ASN A 44 8.648 10.627 4.936 1.00 0.00 C ATOM 613 CG ASN A 44 9.067 10.482 6.393 1.00 0.00 C ATOM 614 OD1 ASN A 44 8.941 11.430 7.158 1.00 0.00 O ATOM 615 ND2 ASN A 44 9.611 9.358 6.836 1.00 0.00 N ATOM 0 H ASN A 44 8.938 9.318 2.315 1.00 0.00 H new ATOM 0 HA ASN A 44 9.126 8.631 4.387 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.460 11.095 4.380 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.794 11.301 4.880 1.00 0.00 H new ATOM 0 HD21 ASN A 44 9.920 9.289 7.806 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.721 8.562 6.207 1.00 0.00 H new ATOM 622 N LEU A 45 6.943 7.328 4.509 1.00 0.00 N ATOM 623 CA LEU A 45 5.887 6.428 4.942 1.00 0.00 C ATOM 624 C LEU A 45 6.496 5.313 5.774 1.00 0.00 C ATOM 625 O LEU A 45 7.480 4.681 5.380 1.00 0.00 O ATOM 626 CB LEU A 45 5.161 5.857 3.717 1.00 0.00 C ATOM 627 CG LEU A 45 4.286 6.924 3.044 1.00 0.00 C ATOM 628 CD1 LEU A 45 3.952 6.523 1.614 1.00 0.00 C ATOM 629 CD2 LEU A 45 2.970 7.149 3.796 1.00 0.00 C ATOM 0 H LEU A 45 7.564 6.898 3.824 1.00 0.00 H new ATOM 0 HA LEU A 45 5.161 6.968 5.550 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.891 5.478 3.002 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.542 5.012 4.019 1.00 0.00 H new ATOM 0 HG LEU A 45 4.865 7.848 3.056 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.331 7.293 1.156 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.874 6.412 1.043 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.412 5.576 1.618 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.384 7.912 3.284 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.405 6.217 3.827 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.184 7.478 4.813 1.00 0.00 H new ATOM 641 N GLY A 46 5.880 5.061 6.922 1.00 0.00 N ATOM 642 CA GLY A 46 6.165 3.937 7.785 1.00 0.00 C ATOM 643 C GLY A 46 5.785 2.647 7.073 1.00 0.00 C ATOM 644 O GLY A 46 4.616 2.463 6.722 1.00 0.00 O ATOM 0 H GLY A 46 5.140 5.662 7.286 1.00 0.00 H new ATOM 0 HA2 GLY A 46 7.223 3.924 8.046 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.608 4.029 8.717 1.00 0.00 H new ATOM 648 N GLN A 47 6.764 1.760 6.873 1.00 0.00 N ATOM 649 CA GLN A 47 6.600 0.470 6.207 1.00 0.00 C ATOM 650 C GLN A 47 5.419 -0.336 6.762 1.00 0.00 C ATOM 651 O GLN A 47 4.752 -1.020 5.988 1.00 0.00 O ATOM 652 CB GLN A 47 7.888 -0.348 6.369 1.00 0.00 C ATOM 653 CG GLN A 47 8.956 -0.030 5.322 1.00 0.00 C ATOM 654 CD GLN A 47 10.307 -0.603 5.731 1.00 0.00 C ATOM 655 OE1 GLN A 47 10.770 -1.629 5.049 1.00 0.00 O flip ATOM 656 NE2 GLN A 47 10.933 -0.131 6.679 1.00 0.00 N flip ATOM 0 H GLN A 47 7.722 1.928 7.181 1.00 0.00 H new ATOM 0 HA GLN A 47 6.393 0.670 5.156 1.00 0.00 H new ATOM 0 HB2 GLN A 47 8.300 -0.167 7.362 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.643 -1.409 6.314 1.00 0.00 H new ATOM 0 HG2 GLN A 47 8.659 -0.442 4.357 1.00 0.00 H new ATOM 0 HG3 GLN A 47 9.038 1.050 5.196 1.00 0.00 H new ATOM 0 HE21 GLN A 47 10.556 0.665 7.194 1.00 0.00 H new ATOM 0 HE22 GLN A 47 11.829 -0.535 6.950 1.00 0.00 H new ATOM 665 N ARG A 48 5.126 -0.254 8.070 1.00 0.00 N ATOM 666 CA ARG A 48 4.003 -0.991 8.658 1.00 0.00 C ATOM 667 C ARG A 48 2.705 -0.681 7.941 1.00 0.00 C ATOM 668 O ARG A 48 1.916 -1.584 7.728 1.00 0.00 O ATOM 669 CB ARG A 48 3.826 -0.659 10.146 1.00 0.00 C ATOM 670 CG ARG A 48 2.843 -1.618 10.842 1.00 0.00 C ATOM 671 CD ARG A 48 2.672 -1.273 12.329 1.00 0.00 C ATOM 672 NE ARG A 48 1.412 -0.554 12.581 1.00 0.00 N ATOM 673 CZ ARG A 48 0.859 -0.391 13.788 1.00 0.00 C ATOM 674 NH1 ARG A 48 1.549 -0.622 14.899 1.00 0.00 N ATOM 675 NH2 ARG A 48 -0.392 0.035 13.874 1.00 0.00 N ATOM 0 H ARG A 48 5.651 0.314 8.735 1.00 0.00 H new ATOM 0 HA ARG A 48 4.239 -2.049 8.549 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.794 -0.708 10.645 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.466 0.365 10.248 1.00 0.00 H new ATOM 0 HG2 ARG A 48 1.875 -1.572 10.344 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.203 -2.642 10.745 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.692 -2.189 12.920 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.512 -0.662 12.659 1.00 0.00 H new ATOM 0 HE ARG A 48 0.927 -0.152 11.779 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.520 -0.930 14.842 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.108 -0.492 15.810 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -0.922 0.235 13.026 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -0.825 0.163 14.788 1.00 0.00 H new ATOM 689 N LEU A 49 2.456 0.586 7.618 1.00 0.00 N ATOM 690 CA LEU A 49 1.188 1.030 7.084 1.00 0.00 C ATOM 691 C LEU A 49 0.977 0.381 5.732 1.00 0.00 C ATOM 692 O LEU A 49 -0.035 -0.259 5.500 1.00 0.00 O ATOM 693 CB LEU A 49 1.250 2.557 6.994 1.00 0.00 C ATOM 694 CG LEU A 49 -0.135 3.166 7.175 1.00 0.00 C ATOM 695 CD1 LEU A 49 0.075 4.641 7.466 1.00 0.00 C ATOM 696 CD2 LEU A 49 -1.062 3.021 5.990 1.00 0.00 C ATOM 0 H LEU A 49 3.141 1.334 7.724 1.00 0.00 H new ATOM 0 HA LEU A 49 0.345 0.746 7.714 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.925 2.944 7.758 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.659 2.853 6.028 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.628 2.625 7.983 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.891 5.126 7.604 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.670 4.752 8.373 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.598 5.106 6.630 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.021 3.486 6.219 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.620 3.508 5.121 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.214 1.963 5.774 1.00 0.00 H new ATOM 708 N PHE A 50 1.969 0.505 4.859 1.00 0.00 N ATOM 709 CA PHE A 50 2.039 -0.260 3.618 1.00 0.00 C ATOM 710 C PHE A 50 1.767 -1.759 3.838 1.00 0.00 C ATOM 711 O PHE A 50 0.945 -2.341 3.127 1.00 0.00 O ATOM 712 CB PHE A 50 3.406 -0.007 2.983 1.00 0.00 C ATOM 713 CG PHE A 50 3.723 -0.896 1.805 1.00 0.00 C ATOM 714 CD1 PHE A 50 3.079 -0.675 0.575 1.00 0.00 C ATOM 715 CD2 PHE A 50 4.667 -1.936 1.940 1.00 0.00 C ATOM 716 CE1 PHE A 50 3.395 -1.477 -0.529 1.00 0.00 C ATOM 717 CE2 PHE A 50 4.994 -2.730 0.828 1.00 0.00 C ATOM 718 CZ PHE A 50 4.361 -2.484 -0.402 1.00 0.00 C ATOM 0 H PHE A 50 2.753 1.143 4.992 1.00 0.00 H new ATOM 0 HA PHE A 50 1.253 0.073 2.940 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.456 1.033 2.661 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.176 -0.143 3.742 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.343 0.110 0.482 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.137 -2.121 2.895 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.896 -1.320 -1.474 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.724 -3.521 0.918 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.623 -3.081 -1.263 1.00 0.00 H new ATOM 728 N GLY A 51 2.422 -2.386 4.822 1.00 0.00 N ATOM 729 CA GLY A 51 2.203 -3.797 5.117 1.00 0.00 C ATOM 730 C GLY A 51 0.766 -4.083 5.539 1.00 0.00 C ATOM 731 O GLY A 51 0.204 -5.072 5.096 1.00 0.00 O ATOM 0 H GLY A 51 3.108 -1.933 5.426 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.446 -4.392 4.237 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.882 -4.110 5.911 1.00 0.00 H new ATOM 735 N GLU A 52 0.154 -3.222 6.341 1.00 0.00 N ATOM 736 CA GLU A 52 -1.217 -3.331 6.817 1.00 0.00 C ATOM 737 C GLU A 52 -2.201 -3.146 5.651 1.00 0.00 C ATOM 738 O GLU A 52 -3.079 -3.979 5.420 1.00 0.00 O ATOM 739 CB GLU A 52 -1.421 -2.290 7.931 1.00 0.00 C ATOM 740 CG GLU A 52 -0.766 -2.722 9.256 1.00 0.00 C ATOM 741 CD GLU A 52 -1.477 -3.852 10.005 1.00 0.00 C ATOM 742 OE1 GLU A 52 -2.466 -4.412 9.486 1.00 0.00 O ATOM 743 OE2 GLU A 52 -1.067 -4.151 11.153 1.00 0.00 O ATOM 0 H GLU A 52 0.624 -2.388 6.694 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.409 -4.322 7.228 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.002 -1.335 7.615 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.488 -2.133 8.089 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.258 -3.034 9.050 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.709 -1.854 9.913 1.00 0.00 H new ATOM 750 N SER A 53 -2.054 -2.052 4.903 1.00 0.00 N ATOM 751 CA SER A 53 -2.902 -1.630 3.796 1.00 0.00 C ATOM 752 C SER A 53 -2.935 -2.684 2.693 1.00 0.00 C ATOM 753 O SER A 53 -3.999 -2.900 2.114 1.00 0.00 O ATOM 754 CB SER A 53 -2.359 -0.290 3.262 1.00 0.00 C ATOM 755 OG SER A 53 -3.074 0.253 2.158 1.00 0.00 O ATOM 0 H SER A 53 -1.289 -1.397 5.068 1.00 0.00 H new ATOM 0 HA SER A 53 -3.928 -1.505 4.144 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.367 0.437 4.074 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.318 -0.428 2.969 1.00 0.00 H new ATOM 0 HG SER A 53 -2.663 1.100 1.887 1.00 0.00 H new ATOM 761 N ILE A 54 -1.781 -3.258 2.345 1.00 0.00 N ATOM 762 CA ILE A 54 -1.616 -4.012 1.105 1.00 0.00 C ATOM 763 C ILE A 54 -1.342 -5.485 1.409 1.00 0.00 C ATOM 764 O ILE A 54 -1.928 -6.369 0.789 1.00 0.00 O ATOM 765 CB ILE A 54 -0.495 -3.369 0.245 1.00 0.00 C ATOM 766 CG1 ILE A 54 -0.566 -1.835 0.140 1.00 0.00 C ATOM 767 CG2 ILE A 54 -0.466 -3.965 -1.172 1.00 0.00 C ATOM 768 CD1 ILE A 54 -1.859 -1.274 -0.451 1.00 0.00 C ATOM 0 H ILE A 54 -0.937 -3.212 2.916 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.539 -3.973 0.527 1.00 0.00 H new ATOM 0 HB ILE A 54 0.424 -3.608 0.780 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.430 -1.414 1.136 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.270 -1.491 -0.469 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.330 -3.494 -1.749 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.284 -5.038 -1.112 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.423 -3.786 -1.661 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.804 -0.186 -0.479 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.993 -1.657 -1.463 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.704 -1.578 0.167 1.00 0.00 H new ATOM 780 N LEU A 55 -0.389 -5.755 2.303 1.00 0.00 N ATOM 781 CA LEU A 55 0.294 -7.054 2.370 1.00 0.00 C ATOM 782 C LEU A 55 -0.173 -7.978 3.489 1.00 0.00 C ATOM 783 O LEU A 55 0.156 -9.165 3.457 1.00 0.00 O ATOM 784 CB LEU A 55 1.807 -6.827 2.501 1.00 0.00 C ATOM 785 CG LEU A 55 2.395 -5.927 1.402 1.00 0.00 C ATOM 786 CD1 LEU A 55 3.912 -5.886 1.543 1.00 0.00 C ATOM 787 CD2 LEU A 55 2.070 -6.382 -0.024 1.00 0.00 C ATOM 0 H LEU A 55 -0.068 -5.083 3.000 1.00 0.00 H new ATOM 0 HA LEU A 55 0.037 -7.565 1.442 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.016 -6.381 3.473 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.313 -7.792 2.478 1.00 0.00 H new ATOM 0 HG LEU A 55 1.937 -4.948 1.543 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.333 -5.249 0.765 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.176 -5.486 2.522 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.314 -6.894 1.443 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.522 -5.693 -0.738 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.467 -7.384 -0.186 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.989 -6.393 -0.165 1.00 0.00 H new ATOM 799 N GLY A 56 -0.904 -7.469 4.472 1.00 0.00 N ATOM 800 CA GLY A 56 -1.316 -8.219 5.640 1.00 0.00 C ATOM 801 C GLY A 56 -0.138 -8.669 6.500 1.00 0.00 C ATOM 802 O GLY A 56 -0.143 -9.812 6.972 1.00 0.00 O ATOM 0 H GLY A 56 -1.231 -6.503 4.475 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.986 -7.606 6.242 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.883 -9.094 5.323 1.00 0.00 H new ATOM 806 N LEU A 57 0.887 -7.825 6.694 1.00 0.00 N ATOM 807 CA LEU A 57 2.073 -8.180 7.470 1.00 0.00 C ATOM 808 C LEU A 57 2.309 -7.182 8.598 1.00 0.00 C ATOM 809 O LEU A 57 2.147 -5.978 8.412 1.00 0.00 O ATOM 810 CB LEU A 57 3.293 -8.235 6.543 1.00 0.00 C ATOM 811 CG LEU A 57 3.232 -9.365 5.499 1.00 0.00 C ATOM 812 CD1 LEU A 57 4.326 -9.120 4.466 1.00 0.00 C ATOM 813 CD2 LEU A 57 3.395 -10.759 6.118 1.00 0.00 C ATOM 0 H LEU A 57 0.912 -6.878 6.315 1.00 0.00 H new ATOM 0 HA LEU A 57 1.915 -9.160 7.920 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.387 -7.280 6.026 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.191 -8.360 7.148 1.00 0.00 H new ATOM 0 HG LEU A 57 2.245 -9.349 5.037 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.301 -9.910 3.715 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.162 -8.156 3.984 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.298 -9.118 4.959 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.343 -11.514 5.333 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.360 -10.823 6.620 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.597 -10.932 6.841 1.00 0.00 H new ATOM 825 N THR A 58 2.770 -7.699 9.741 1.00 0.00 N ATOM 826 CA THR A 58 3.219 -6.901 10.881 1.00 0.00 C ATOM 827 C THR A 58 4.458 -6.087 10.468 1.00 0.00 C ATOM 828 O THR A 58 5.141 -6.438 9.505 1.00 0.00 O ATOM 829 CB THR A 58 3.448 -7.851 12.090 1.00 0.00 C ATOM 830 OG1 THR A 58 2.519 -7.586 13.127 1.00 0.00 O ATOM 831 CG2 THR A 58 4.840 -7.838 12.732 1.00 0.00 C ATOM 0 H THR A 58 2.842 -8.704 9.901 1.00 0.00 H new ATOM 0 HA THR A 58 2.471 -6.173 11.194 1.00 0.00 H new ATOM 0 HB THR A 58 3.320 -8.834 11.636 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.682 -8.197 13.876 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.865 -8.544 13.562 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.586 -8.124 11.990 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.061 -6.837 13.101 1.00 0.00 H new ATOM 839 N GLN A 59 4.797 -5.042 11.231 1.00 0.00 N ATOM 840 CA GLN A 59 5.927 -4.160 10.953 1.00 0.00 C ATOM 841 C GLN A 59 7.227 -4.955 10.830 1.00 0.00 C ATOM 842 O GLN A 59 7.926 -4.805 9.830 1.00 0.00 O ATOM 843 CB GLN A 59 6.037 -3.064 12.026 1.00 0.00 C ATOM 844 CG GLN A 59 7.038 -1.976 11.604 1.00 0.00 C ATOM 845 CD GLN A 59 6.988 -0.757 12.518 1.00 0.00 C ATOM 846 OE1 GLN A 59 6.269 0.212 12.268 1.00 0.00 O ATOM 847 NE2 GLN A 59 7.748 -0.772 13.587 1.00 0.00 N ATOM 0 H GLN A 59 4.282 -4.784 12.073 1.00 0.00 H new ATOM 0 HA GLN A 59 5.751 -3.672 9.994 1.00 0.00 H new ATOM 0 HB2 GLN A 59 5.058 -2.616 12.195 1.00 0.00 H new ATOM 0 HB3 GLN A 59 6.352 -3.506 12.971 1.00 0.00 H new ATOM 0 HG2 GLN A 59 8.046 -2.391 11.610 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.826 -1.668 10.580 1.00 0.00 H new ATOM 0 HE21 GLN A 59 8.338 -1.581 13.782 1.00 0.00 H new ATOM 0 HE22 GLN A 59 7.749 0.025 14.224 1.00 0.00 H new ATOM 856 N GLY A 60 7.549 -5.806 11.809 1.00 0.00 N ATOM 857 CA GLY A 60 8.753 -6.624 11.756 1.00 0.00 C ATOM 858 C GLY A 60 8.759 -7.546 10.538 1.00 0.00 C ATOM 859 O GLY A 60 9.782 -7.689 9.878 1.00 0.00 O ATOM 0 H GLY A 60 6.987 -5.943 12.649 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.630 -5.978 11.727 1.00 0.00 H new ATOM 0 HA3 GLY A 60 8.827 -7.222 12.665 1.00 0.00 H new ATOM 863 N SER A 61 7.618 -8.145 10.204 1.00 0.00 N ATOM 864 CA SER A 61 7.481 -9.087 9.104 1.00 0.00 C ATOM 865 C SER A 61 7.632 -8.400 7.751 1.00 0.00 C ATOM 866 O SER A 61 8.310 -8.931 6.875 1.00 0.00 O ATOM 867 CB SER A 61 6.123 -9.780 9.212 1.00 0.00 C ATOM 868 OG SER A 61 5.955 -10.294 10.522 1.00 0.00 O ATOM 0 H SER A 61 6.744 -7.983 10.705 1.00 0.00 H new ATOM 0 HA SER A 61 8.279 -9.827 9.173 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.324 -9.075 8.982 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.056 -10.587 8.482 1.00 0.00 H new ATOM 0 HG SER A 61 5.083 -10.737 10.590 1.00 0.00 H new ATOM 874 N VAL A 62 7.031 -7.224 7.566 1.00 0.00 N ATOM 875 CA VAL A 62 7.209 -6.460 6.344 1.00 0.00 C ATOM 876 C VAL A 62 8.645 -5.915 6.290 1.00 0.00 C ATOM 877 O VAL A 62 9.198 -5.797 5.197 1.00 0.00 O ATOM 878 CB VAL A 62 6.082 -5.408 6.221 1.00 0.00 C ATOM 879 CG1 VAL A 62 6.461 -3.996 6.665 1.00 0.00 C ATOM 880 CG2 VAL A 62 5.580 -5.331 4.780 1.00 0.00 C ATOM 0 H VAL A 62 6.417 -6.785 8.252 1.00 0.00 H new ATOM 0 HA VAL A 62 7.107 -7.082 5.455 1.00 0.00 H new ATOM 0 HB VAL A 62 5.309 -5.759 6.904 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.605 -3.333 6.540 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.758 -4.012 7.714 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.291 -3.634 6.058 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.787 -4.586 4.710 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.402 -5.048 4.123 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.192 -6.304 4.477 1.00 0.00 H new ATOM 890 N SER A 63 9.275 -5.650 7.445 1.00 0.00 N ATOM 891 CA SER A 63 10.689 -5.323 7.521 1.00 0.00 C ATOM 892 C SER A 63 11.477 -6.505 6.963 1.00 0.00 C ATOM 893 O SER A 63 12.209 -6.306 6.005 1.00 0.00 O ATOM 894 CB SER A 63 11.129 -4.951 8.950 1.00 0.00 C ATOM 895 OG SER A 63 12.192 -4.015 8.918 1.00 0.00 O ATOM 0 H SER A 63 8.807 -5.659 8.351 1.00 0.00 H new ATOM 0 HA SER A 63 10.890 -4.434 6.923 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.285 -4.532 9.498 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.443 -5.848 9.484 1.00 0.00 H new ATOM 0 HG SER A 63 12.457 -3.789 9.834 1.00 0.00 H new ATOM 901 N ASP A 64 11.294 -7.723 7.482 1.00 0.00 N ATOM 902 CA ASP A 64 11.937 -8.953 6.998 1.00 0.00 C ATOM 903 C ASP A 64 11.706 -9.152 5.504 1.00 0.00 C ATOM 904 O ASP A 64 12.603 -9.622 4.803 1.00 0.00 O ATOM 905 CB ASP A 64 11.367 -10.184 7.738 1.00 0.00 C ATOM 906 CG ASP A 64 12.210 -10.667 8.908 1.00 0.00 C ATOM 907 OD1 ASP A 64 13.459 -10.650 8.810 1.00 0.00 O ATOM 908 OD2 ASP A 64 11.625 -11.165 9.901 1.00 0.00 O ATOM 0 H ASP A 64 10.675 -7.887 8.276 1.00 0.00 H new ATOM 0 HA ASP A 64 13.005 -8.852 7.189 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.369 -9.942 8.102 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.257 -11.001 7.025 1.00 0.00 H new ATOM 913 N LEU A 65 10.514 -8.828 4.999 1.00 0.00 N ATOM 914 CA LEU A 65 10.211 -9.021 3.591 1.00 0.00 C ATOM 915 C LEU A 65 11.057 -8.077 2.740 1.00 0.00 C ATOM 916 O LEU A 65 11.692 -8.509 1.783 1.00 0.00 O ATOM 917 CB LEU A 65 8.708 -8.838 3.319 1.00 0.00 C ATOM 918 CG LEU A 65 8.245 -9.868 2.277 1.00 0.00 C ATOM 919 CD1 LEU A 65 7.985 -11.221 2.953 1.00 0.00 C ATOM 920 CD2 LEU A 65 6.985 -9.402 1.555 1.00 0.00 C ATOM 0 H LEU A 65 9.750 -8.433 5.546 1.00 0.00 H new ATOM 0 HA LEU A 65 10.463 -10.045 3.315 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.143 -8.961 4.243 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.513 -7.828 2.958 1.00 0.00 H new ATOM 0 HG LEU A 65 9.040 -9.976 1.539 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.657 -11.944 2.206 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.903 -11.575 3.423 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.210 -11.106 3.711 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.685 -10.154 0.825 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.183 -9.258 2.279 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.186 -8.460 1.044 1.00 0.00 H new ATOM 932 N LEU A 66 11.069 -6.792 3.098 1.00 0.00 N ATOM 933 CA LEU A 66 11.729 -5.723 2.348 1.00 0.00 C ATOM 934 C LEU A 66 13.232 -5.639 2.613 1.00 0.00 C ATOM 935 O LEU A 66 13.983 -5.088 1.809 1.00 0.00 O ATOM 936 CB LEU A 66 11.059 -4.386 2.709 1.00 0.00 C ATOM 937 CG LEU A 66 9.597 -4.281 2.244 1.00 0.00 C ATOM 938 CD1 LEU A 66 8.938 -2.993 2.745 1.00 0.00 C ATOM 939 CD2 LEU A 66 9.526 -4.343 0.719 1.00 0.00 C ATOM 0 H LEU A 66 10.606 -6.457 3.943 1.00 0.00 H new ATOM 0 HA LEU A 66 11.617 -5.946 1.287 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.098 -4.251 3.790 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.631 -3.572 2.265 1.00 0.00 H new ATOM 0 HG LEU A 66 9.052 -5.124 2.668 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.906 -2.953 2.397 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.954 -2.976 3.835 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.484 -2.132 2.360 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.486 -4.268 0.400 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.097 -3.517 0.294 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.944 -5.288 0.373 1.00 0.00 H new ATOM 951 N SER A 67 13.668 -6.179 3.741 1.00 0.00 N ATOM 952 CA SER A 67 15.046 -6.180 4.219 1.00 0.00 C ATOM 953 C SER A 67 15.791 -7.408 3.709 1.00 0.00 C ATOM 954 O SER A 67 16.961 -7.281 3.333 1.00 0.00 O ATOM 955 CB SER A 67 15.069 -6.151 5.754 1.00 0.00 C ATOM 956 OG SER A 67 16.383 -6.022 6.234 1.00 0.00 O ATOM 0 H SER A 67 13.036 -6.655 4.385 1.00 0.00 H new ATOM 0 HA SER A 67 15.545 -5.290 3.837 1.00 0.00 H new ATOM 0 HB2 SER A 67 14.463 -5.320 6.115 1.00 0.00 H new ATOM 0 HB3 SER A 67 14.623 -7.065 6.146 1.00 0.00 H new ATOM 0 HG SER A 67 16.373 -6.004 7.214 1.00 0.00 H new ATOM 962 N ARG A 68 15.154 -8.587 3.704 1.00 0.00 N ATOM 963 CA ARG A 68 15.771 -9.827 3.245 1.00 0.00 C ATOM 964 C ARG A 68 14.792 -10.613 2.373 1.00 0.00 C ATOM 965 O ARG A 68 14.381 -11.712 2.749 1.00 0.00 O ATOM 966 CB ARG A 68 16.441 -10.566 4.423 1.00 0.00 C ATOM 967 CG ARG A 68 15.599 -11.135 5.574 1.00 0.00 C ATOM 968 CD ARG A 68 15.284 -12.635 5.465 1.00 0.00 C ATOM 969 NE ARG A 68 15.141 -13.243 6.796 1.00 0.00 N ATOM 970 CZ ARG A 68 15.653 -14.409 7.214 1.00 0.00 C ATOM 971 NH1 ARG A 68 16.334 -15.223 6.410 1.00 0.00 N ATOM 972 NH2 ARG A 68 15.464 -14.751 8.477 1.00 0.00 N ATOM 0 H ARG A 68 14.191 -8.702 4.021 1.00 0.00 H new ATOM 0 HA ARG A 68 16.607 -9.637 2.571 1.00 0.00 H new ATOM 0 HB2 ARG A 68 17.008 -11.395 4.000 1.00 0.00 H new ATOM 0 HB3 ARG A 68 17.163 -9.878 4.864 1.00 0.00 H new ATOM 0 HG2 ARG A 68 16.124 -10.956 6.512 1.00 0.00 H new ATOM 0 HG3 ARG A 68 14.660 -10.584 5.625 1.00 0.00 H new ATOM 0 HD2 ARG A 68 14.365 -12.777 4.896 1.00 0.00 H new ATOM 0 HD3 ARG A 68 16.080 -13.138 4.915 1.00 0.00 H new ATOM 0 HE ARG A 68 14.591 -12.719 7.477 1.00 0.00 H new ATOM 0 HH11 ARG A 68 16.483 -14.968 5.434 1.00 0.00 H new ATOM 0 HH12 ARG A 68 16.706 -16.102 6.770 1.00 0.00 H new ATOM 0 HH21 ARG A 68 14.942 -14.134 9.100 1.00 0.00 H new ATOM 0 HH22 ARG A 68 15.840 -15.632 8.829 1.00 0.00 H new ATOM 986 N PRO A 69 14.392 -10.086 1.202 1.00 0.00 N ATOM 987 CA PRO A 69 13.496 -10.792 0.299 1.00 0.00 C ATOM 988 C PRO A 69 14.143 -12.088 -0.158 1.00 0.00 C ATOM 989 O PRO A 69 15.248 -12.080 -0.704 1.00 0.00 O ATOM 990 CB PRO A 69 13.280 -9.860 -0.887 1.00 0.00 C ATOM 991 CG PRO A 69 14.548 -9.011 -0.906 1.00 0.00 C ATOM 992 CD PRO A 69 14.852 -8.850 0.580 1.00 0.00 C ATOM 0 HA PRO A 69 12.552 -11.048 0.780 1.00 0.00 H new ATOM 0 HB2 PRO A 69 13.154 -10.415 -1.817 1.00 0.00 H new ATOM 0 HB3 PRO A 69 12.388 -9.247 -0.759 1.00 0.00 H new ATOM 0 HG2 PRO A 69 15.361 -9.506 -1.436 1.00 0.00 H new ATOM 0 HG3 PRO A 69 14.387 -8.050 -1.395 1.00 0.00 H new ATOM 0 HD2 PRO A 69 15.918 -8.697 0.749 1.00 0.00 H new ATOM 0 HD3 PRO A 69 14.336 -7.985 0.996 1.00 0.00 H new ATOM 1000 N LYS A 70 13.449 -13.207 0.021 1.00 0.00 N ATOM 1001 CA LYS A 70 13.891 -14.471 -0.554 1.00 0.00 C ATOM 1002 C LYS A 70 13.736 -14.419 -2.084 1.00 0.00 C ATOM 1003 O LYS A 70 12.947 -13.609 -2.587 1.00 0.00 O ATOM 1004 CB LYS A 70 13.110 -15.613 0.110 1.00 0.00 C ATOM 1005 CG LYS A 70 13.725 -15.871 1.498 1.00 0.00 C ATOM 1006 CD LYS A 70 12.791 -16.616 2.450 1.00 0.00 C ATOM 1007 CE LYS A 70 11.681 -15.682 2.949 1.00 0.00 C ATOM 1008 NZ LYS A 70 10.859 -16.340 3.975 1.00 0.00 N ATOM 0 H LYS A 70 12.583 -13.264 0.557 1.00 0.00 H new ATOM 0 HA LYS A 70 14.948 -14.653 -0.361 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.057 -15.349 0.204 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.160 -16.514 -0.502 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.643 -16.446 1.378 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.003 -14.917 1.947 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.352 -17.474 1.941 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.358 -17.003 3.297 1.00 0.00 H new ATOM 0 HE2 LYS A 70 12.122 -14.774 3.359 1.00 0.00 H new ATOM 0 HE3 LYS A 70 11.051 -15.380 2.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.116 -15.687 4.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.421 -17.193 3.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 11.458 -16.606 4.782 1.00 0.00 H new ATOM 1022 N PRO A 71 14.491 -15.244 -2.828 1.00 0.00 N ATOM 1023 CA PRO A 71 14.411 -15.259 -4.281 1.00 0.00 C ATOM 1024 C PRO A 71 13.044 -15.838 -4.711 1.00 0.00 C ATOM 1025 O PRO A 71 12.316 -16.435 -3.911 1.00 0.00 O ATOM 1026 CB PRO A 71 15.665 -16.034 -4.721 1.00 0.00 C ATOM 1027 CG PRO A 71 16.150 -16.848 -3.527 1.00 0.00 C ATOM 1028 CD PRO A 71 15.494 -16.177 -2.322 1.00 0.00 C ATOM 0 HA PRO A 71 14.427 -14.284 -4.769 1.00 0.00 H new ATOM 0 HB2 PRO A 71 15.435 -16.688 -5.562 1.00 0.00 H new ATOM 0 HB3 PRO A 71 16.442 -15.346 -5.056 1.00 0.00 H new ATOM 0 HG2 PRO A 71 15.853 -17.893 -3.611 1.00 0.00 H new ATOM 0 HG3 PRO A 71 17.237 -16.831 -3.449 1.00 0.00 H new ATOM 0 HD2 PRO A 71 15.032 -16.921 -1.674 1.00 0.00 H new ATOM 0 HD3 PRO A 71 16.239 -15.652 -1.724 1.00 0.00 H new ATOM 1036 N TRP A 72 12.650 -15.656 -5.973 1.00 0.00 N ATOM 1037 CA TRP A 72 11.310 -16.024 -6.433 1.00 0.00 C ATOM 1038 C TRP A 72 11.088 -17.546 -6.474 1.00 0.00 C ATOM 1039 O TRP A 72 10.021 -18.012 -6.065 1.00 0.00 O ATOM 1040 CB TRP A 72 11.048 -15.381 -7.796 1.00 0.00 C ATOM 1041 CG TRP A 72 9.685 -15.648 -8.357 1.00 0.00 C ATOM 1042 CD1 TRP A 72 9.397 -16.624 -9.243 1.00 0.00 C ATOM 1043 CD2 TRP A 72 8.423 -14.950 -8.120 1.00 0.00 C ATOM 1044 NE1 TRP A 72 8.063 -16.580 -9.580 1.00 0.00 N ATOM 1045 CE2 TRP A 72 7.417 -15.550 -8.935 1.00 0.00 C ATOM 1046 CE3 TRP A 72 8.025 -13.855 -7.321 1.00 0.00 C ATOM 1047 CZ2 TRP A 72 6.096 -15.084 -8.961 1.00 0.00 C ATOM 1048 CZ3 TRP A 72 6.703 -13.367 -7.353 1.00 0.00 C ATOM 1049 CH2 TRP A 72 5.741 -13.976 -8.178 1.00 0.00 C ATOM 0 H TRP A 72 13.244 -15.254 -6.698 1.00 0.00 H new ATOM 0 HA TRP A 72 10.590 -15.643 -5.709 1.00 0.00 H new ATOM 0 HB2 TRP A 72 11.186 -14.303 -7.708 1.00 0.00 H new ATOM 0 HB3 TRP A 72 11.795 -15.741 -8.503 1.00 0.00 H new ATOM 0 HD1 TRP A 72 10.110 -17.336 -9.631 1.00 0.00 H new ATOM 0 HE1 TRP A 72 7.611 -17.228 -10.225 1.00 0.00 H new ATOM 0 HE3 TRP A 72 8.748 -13.382 -6.673 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 5.358 -15.574 -9.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 6.428 -12.521 -6.741 1.00 0.00 H new ATOM 0 HH2 TRP A 72 4.732 -13.592 -8.209 1.00 0.00 H new ATOM 1060 N HIS A 73 12.066 -18.348 -6.917 1.00 0.00 N ATOM 1061 CA HIS A 73 11.982 -19.810 -6.828 1.00 0.00 C ATOM 1062 C HIS A 73 11.792 -20.304 -5.379 1.00 0.00 C ATOM 1063 O HIS A 73 11.164 -21.349 -5.201 1.00 0.00 O ATOM 1064 CB HIS A 73 13.099 -20.574 -7.607 1.00 0.00 C ATOM 1065 CG HIS A 73 14.492 -20.667 -7.003 1.00 0.00 C ATOM 1066 ND1 HIS A 73 15.595 -19.910 -7.365 1.00 0.00 N ATOM 1067 CD2 HIS A 73 14.813 -21.307 -5.835 1.00 0.00 C ATOM 1068 CE1 HIS A 73 16.488 -19.958 -6.356 1.00 0.00 C ATOM 1069 NE2 HIS A 73 16.055 -20.816 -5.411 1.00 0.00 N ATOM 0 H HIS A 73 12.928 -18.006 -7.342 1.00 0.00 H new ATOM 0 HA HIS A 73 11.069 -20.073 -7.362 1.00 0.00 H new ATOM 0 HB2 HIS A 73 12.745 -21.591 -7.775 1.00 0.00 H new ATOM 0 HB3 HIS A 73 13.196 -20.105 -8.586 1.00 0.00 H new ATOM 0 HD2 HIS A 73 14.217 -22.054 -5.332 1.00 0.00 H new ATOM 0 HE1 HIS A 73 17.409 -19.395 -6.312 1.00 0.00 H new ATOM 0 HE2 HIS A 73 16.541 -21.062 -4.548 1.00 0.00 H new ATOM 1077 N LYS A 74 12.295 -19.590 -4.360 1.00 0.00 N ATOM 1078 CA LYS A 74 12.243 -19.954 -2.947 1.00 0.00 C ATOM 1079 C LYS A 74 10.867 -19.698 -2.358 1.00 0.00 C ATOM 1080 O LYS A 74 10.497 -20.344 -1.374 1.00 0.00 O ATOM 1081 CB LYS A 74 13.284 -19.116 -2.179 1.00 0.00 C ATOM 1082 CG LYS A 74 14.675 -19.749 -2.144 1.00 0.00 C ATOM 1083 CD LYS A 74 14.757 -20.878 -1.136 1.00 0.00 C ATOM 1084 CE LYS A 74 16.204 -21.330 -0.953 1.00 0.00 C ATOM 1085 NZ LYS A 74 16.294 -22.712 -0.439 1.00 0.00 N ATOM 0 H LYS A 74 12.771 -18.701 -4.513 1.00 0.00 H new ATOM 0 HA LYS A 74 12.459 -21.019 -2.857 1.00 0.00 H new ATOM 0 HB2 LYS A 74 13.354 -18.130 -2.638 1.00 0.00 H new ATOM 0 HB3 LYS A 74 12.936 -18.968 -1.157 1.00 0.00 H new ATOM 0 HG2 LYS A 74 14.926 -20.128 -3.135 1.00 0.00 H new ATOM 0 HG3 LYS A 74 15.414 -18.987 -1.897 1.00 0.00 H new ATOM 0 HD2 LYS A 74 14.349 -20.550 -0.180 1.00 0.00 H new ATOM 0 HD3 LYS A 74 14.148 -21.717 -1.471 1.00 0.00 H new ATOM 0 HE2 LYS A 74 16.727 -21.264 -1.907 1.00 0.00 H new ATOM 0 HE3 LYS A 74 16.710 -20.654 -0.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 17.294 -22.977 -0.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 15.817 -22.771 0.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 15.834 -23.362 -1.108 1.00 0.00 H new ATOM 1099 N LEU A 75 10.137 -18.725 -2.893 1.00 0.00 N ATOM 1100 CA LEU A 75 8.808 -18.382 -2.432 1.00 0.00 C ATOM 1101 C LEU A 75 7.827 -19.272 -3.179 1.00 0.00 C ATOM 1102 O LEU A 75 7.810 -19.288 -4.407 1.00 0.00 O ATOM 1103 CB LEU A 75 8.521 -16.901 -2.710 1.00 0.00 C ATOM 1104 CG LEU A 75 9.401 -15.923 -1.910 1.00 0.00 C ATOM 1105 CD1 LEU A 75 9.152 -14.515 -2.439 1.00 0.00 C ATOM 1106 CD2 LEU A 75 9.111 -15.958 -0.404 1.00 0.00 C ATOM 0 H LEU A 75 10.461 -18.148 -3.669 1.00 0.00 H new ATOM 0 HA LEU A 75 8.715 -18.537 -1.357 1.00 0.00 H new ATOM 0 HB2 LEU A 75 8.661 -16.710 -3.774 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.474 -16.697 -2.484 1.00 0.00 H new ATOM 0 HG LEU A 75 10.441 -16.222 -2.040 1.00 0.00 H new ATOM 0 HD11 LEU A 75 9.766 -13.805 -1.886 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.412 -14.472 -3.497 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.100 -14.260 -2.313 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.761 -15.249 0.108 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.070 -15.689 -0.228 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.296 -16.962 -0.021 1.00 0.00 H new ATOM 1118 N SER A 76 6.989 -19.998 -2.446 1.00 0.00 N ATOM 1119 CA SER A 76 5.811 -20.667 -2.993 1.00 0.00 C ATOM 1120 C SER A 76 4.764 -19.607 -3.367 1.00 0.00 C ATOM 1121 O SER A 76 4.955 -18.429 -3.073 1.00 0.00 O ATOM 1122 CB SER A 76 5.246 -21.639 -1.945 1.00 0.00 C ATOM 1123 OG SER A 76 6.279 -22.321 -1.256 1.00 0.00 O ATOM 0 H SER A 76 7.109 -20.141 -1.443 1.00 0.00 H new ATOM 0 HA SER A 76 6.078 -21.233 -3.885 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.633 -21.089 -1.231 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.594 -22.363 -2.434 1.00 0.00 H new ATOM 0 HG SER A 76 5.886 -22.929 -0.596 1.00 0.00 H new ATOM 1129 N LEU A 77 3.611 -20.003 -3.919 1.00 0.00 N ATOM 1130 CA LEU A 77 2.510 -19.082 -4.244 1.00 0.00 C ATOM 1131 C LEU A 77 2.147 -18.196 -3.041 1.00 0.00 C ATOM 1132 O LEU A 77 2.201 -16.973 -3.139 1.00 0.00 O ATOM 1133 CB LEU A 77 1.286 -19.851 -4.763 1.00 0.00 C ATOM 1134 CG LEU A 77 1.554 -20.667 -6.044 1.00 0.00 C ATOM 1135 CD1 LEU A 77 0.316 -21.501 -6.348 1.00 0.00 C ATOM 1136 CD2 LEU A 77 1.886 -19.812 -7.272 1.00 0.00 C ATOM 0 H LEU A 77 3.412 -20.975 -4.155 1.00 0.00 H new ATOM 0 HA LEU A 77 2.852 -18.422 -5.042 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.936 -20.525 -3.982 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.481 -19.143 -4.958 1.00 0.00 H new ATOM 0 HG LEU A 77 2.432 -21.283 -5.850 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.485 -22.087 -7.252 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.115 -22.172 -5.513 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.539 -20.842 -6.497 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.061 -20.461 -8.130 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.052 -19.144 -7.486 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.781 -19.223 -7.074 1.00 0.00 H new ATOM 1148 N LYS A 78 1.885 -18.798 -1.875 1.00 0.00 N ATOM 1149 CA LYS A 78 1.652 -18.078 -0.617 1.00 0.00 C ATOM 1150 C LYS A 78 2.789 -17.121 -0.230 1.00 0.00 C ATOM 1151 O LYS A 78 2.559 -16.121 0.444 1.00 0.00 O ATOM 1152 CB LYS A 78 1.309 -19.025 0.548 1.00 0.00 C ATOM 1153 CG LYS A 78 2.072 -20.361 0.629 1.00 0.00 C ATOM 1154 CD LYS A 78 1.389 -21.485 -0.173 1.00 0.00 C ATOM 1155 CE LYS A 78 1.769 -22.896 0.302 1.00 0.00 C ATOM 1156 NZ LYS A 78 1.013 -23.321 1.503 1.00 0.00 N ATOM 0 H LYS A 78 1.828 -19.812 -1.777 1.00 0.00 H new ATOM 0 HA LYS A 78 0.779 -17.456 -0.813 1.00 0.00 H new ATOM 0 HB2 LYS A 78 1.476 -18.485 1.480 1.00 0.00 H new ATOM 0 HB3 LYS A 78 0.244 -19.249 0.496 1.00 0.00 H new ATOM 0 HG2 LYS A 78 3.086 -20.219 0.256 1.00 0.00 H new ATOM 0 HG3 LYS A 78 2.156 -20.664 1.673 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.308 -21.365 -0.102 1.00 0.00 H new ATOM 0 HD3 LYS A 78 1.653 -21.381 -1.225 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.589 -23.607 -0.505 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.836 -22.925 0.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.309 -24.279 1.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.203 -22.661 2.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -0.005 -23.321 1.290 1.00 0.00 H new ATOM 1170 N GLY A 79 4.021 -17.416 -0.644 1.00 0.00 N ATOM 1171 CA GLY A 79 5.180 -16.555 -0.453 1.00 0.00 C ATOM 1172 C GLY A 79 5.169 -15.339 -1.371 1.00 0.00 C ATOM 1173 O GLY A 79 5.694 -14.292 -1.006 1.00 0.00 O ATOM 0 H GLY A 79 4.243 -18.283 -1.133 1.00 0.00 H new ATOM 0 HA2 GLY A 79 5.212 -16.221 0.584 1.00 0.00 H new ATOM 0 HA3 GLY A 79 6.088 -17.131 -0.631 1.00 0.00 H new ATOM 1177 N ARG A 80 4.606 -15.470 -2.570 1.00 0.00 N ATOM 1178 CA ARG A 80 4.652 -14.452 -3.608 1.00 0.00 C ATOM 1179 C ARG A 80 3.476 -13.507 -3.532 1.00 0.00 C ATOM 1180 O ARG A 80 3.605 -12.394 -4.024 1.00 0.00 O ATOM 1181 CB ARG A 80 4.620 -15.160 -4.953 1.00 0.00 C ATOM 1182 CG ARG A 80 5.859 -16.032 -5.144 1.00 0.00 C ATOM 1183 CD ARG A 80 5.539 -17.046 -6.234 1.00 0.00 C ATOM 1184 NE ARG A 80 6.713 -17.851 -6.542 1.00 0.00 N ATOM 1185 CZ ARG A 80 6.849 -18.693 -7.561 1.00 0.00 C ATOM 1186 NH1 ARG A 80 5.880 -18.870 -8.450 1.00 0.00 N ATOM 1187 NH2 ARG A 80 7.995 -19.347 -7.658 1.00 0.00 N ATOM 0 H ARG A 80 4.094 -16.307 -2.850 1.00 0.00 H new ATOM 0 HA ARG A 80 5.559 -13.863 -3.476 1.00 0.00 H new ATOM 0 HB2 ARG A 80 3.724 -15.776 -5.022 1.00 0.00 H new ATOM 0 HB3 ARG A 80 4.563 -14.423 -5.754 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.717 -15.423 -5.427 1.00 0.00 H new ATOM 0 HG3 ARG A 80 6.120 -16.538 -4.214 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.723 -17.692 -5.910 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.199 -16.529 -7.132 1.00 0.00 H new ATOM 0 HE ARG A 80 7.510 -17.759 -5.913 1.00 0.00 H new ATOM 0 HH11 ARG A 80 5.005 -18.353 -8.360 1.00 0.00 H new ATOM 0 HH12 ARG A 80 6.010 -19.523 -9.223 1.00 0.00 H new ATOM 0 HH21 ARG A 80 8.729 -19.194 -6.967 1.00 0.00 H new ATOM 0 HH22 ARG A 80 8.144 -20.004 -8.424 1.00 0.00 H new ATOM 1201 N GLU A 81 2.371 -13.922 -2.914 1.00 0.00 N ATOM 1202 CA GLU A 81 1.180 -13.125 -2.640 1.00 0.00 C ATOM 1203 C GLU A 81 1.516 -11.656 -2.366 1.00 0.00 C ATOM 1204 O GLU A 81 1.064 -10.794 -3.131 1.00 0.00 O ATOM 1205 CB GLU A 81 0.399 -13.766 -1.474 1.00 0.00 C ATOM 1206 CG GLU A 81 -0.859 -14.517 -1.908 1.00 0.00 C ATOM 1207 CD GLU A 81 -1.392 -15.460 -0.822 1.00 0.00 C ATOM 1208 OE1 GLU A 81 -1.719 -14.981 0.287 1.00 0.00 O ATOM 1209 OE2 GLU A 81 -1.527 -16.671 -1.105 1.00 0.00 O ATOM 0 H GLU A 81 2.280 -14.879 -2.572 1.00 0.00 H new ATOM 0 HA GLU A 81 0.550 -13.122 -3.529 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.057 -14.455 -0.945 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.118 -12.986 -0.766 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.634 -13.797 -2.170 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.641 -15.093 -2.808 1.00 0.00 H new ATOM 1216 N PRO A 82 2.339 -11.327 -1.353 1.00 0.00 N ATOM 1217 CA PRO A 82 2.642 -9.940 -1.062 1.00 0.00 C ATOM 1218 C PRO A 82 3.429 -9.287 -2.205 1.00 0.00 C ATOM 1219 O PRO A 82 3.076 -8.190 -2.621 1.00 0.00 O ATOM 1220 CB PRO A 82 3.375 -9.937 0.283 1.00 0.00 C ATOM 1221 CG PRO A 82 3.951 -11.346 0.406 1.00 0.00 C ATOM 1222 CD PRO A 82 2.966 -12.211 -0.370 1.00 0.00 C ATOM 0 HA PRO A 82 1.741 -9.331 -0.984 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.162 -9.183 0.305 1.00 0.00 H new ATOM 0 HB3 PRO A 82 2.695 -9.713 1.105 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.954 -11.406 -0.016 1.00 0.00 H new ATOM 0 HG3 PRO A 82 4.024 -11.659 1.448 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.477 -13.040 -0.860 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.220 -12.646 0.296 1.00 0.00 H new ATOM 1230 N PHE A 83 4.467 -9.927 -2.752 1.00 0.00 N ATOM 1231 CA PHE A 83 5.293 -9.342 -3.811 1.00 0.00 C ATOM 1232 C PHE A 83 4.490 -9.047 -5.081 1.00 0.00 C ATOM 1233 O PHE A 83 4.755 -8.040 -5.734 1.00 0.00 O ATOM 1234 CB PHE A 83 6.484 -10.244 -4.153 1.00 0.00 C ATOM 1235 CG PHE A 83 7.463 -10.477 -3.024 1.00 0.00 C ATOM 1236 CD1 PHE A 83 7.206 -11.460 -2.049 1.00 0.00 C ATOM 1237 CD2 PHE A 83 8.653 -9.730 -2.965 1.00 0.00 C ATOM 1238 CE1 PHE A 83 8.133 -11.695 -1.020 1.00 0.00 C ATOM 1239 CE2 PHE A 83 9.581 -9.978 -1.942 1.00 0.00 C ATOM 1240 CZ PHE A 83 9.329 -10.962 -0.973 1.00 0.00 C ATOM 0 H PHE A 83 4.758 -10.864 -2.473 1.00 0.00 H new ATOM 0 HA PHE A 83 5.664 -8.395 -3.418 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.104 -11.209 -4.487 1.00 0.00 H new ATOM 0 HB3 PHE A 83 7.022 -9.805 -4.993 1.00 0.00 H new ATOM 0 HD1 PHE A 83 6.293 -12.035 -2.092 1.00 0.00 H new ATOM 0 HD2 PHE A 83 8.852 -8.968 -3.704 1.00 0.00 H new ATOM 0 HE1 PHE A 83 7.925 -12.439 -0.265 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.497 -9.407 -1.900 1.00 0.00 H new ATOM 0 HZ PHE A 83 10.052 -11.154 -0.195 1.00 0.00 H new ATOM 1250 N VAL A 84 3.511 -9.881 -5.426 1.00 0.00 N ATOM 1251 CA VAL A 84 2.598 -9.618 -6.531 1.00 0.00 C ATOM 1252 C VAL A 84 1.795 -8.360 -6.206 1.00 0.00 C ATOM 1253 O VAL A 84 1.784 -7.420 -7.001 1.00 0.00 O ATOM 1254 CB VAL A 84 1.739 -10.870 -6.797 1.00 0.00 C ATOM 1255 CG1 VAL A 84 0.600 -10.638 -7.797 1.00 0.00 C ATOM 1256 CG2 VAL A 84 2.660 -11.975 -7.338 1.00 0.00 C ATOM 0 H VAL A 84 3.330 -10.761 -4.943 1.00 0.00 H new ATOM 0 HA VAL A 84 3.130 -9.421 -7.462 1.00 0.00 H new ATOM 0 HB VAL A 84 1.270 -11.147 -5.853 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.041 -11.564 -7.933 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.066 -9.864 -7.416 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.015 -10.321 -8.754 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.074 -12.873 -7.534 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.128 -11.638 -8.263 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.431 -12.199 -6.601 1.00 0.00 H new ATOM 1266 N ARG A 85 1.180 -8.287 -5.019 1.00 0.00 N ATOM 1267 CA ARG A 85 0.450 -7.089 -4.614 1.00 0.00 C ATOM 1268 C ARG A 85 1.345 -5.846 -4.670 1.00 0.00 C ATOM 1269 O ARG A 85 0.879 -4.813 -5.137 1.00 0.00 O ATOM 1270 CB ARG A 85 -0.177 -7.265 -3.227 1.00 0.00 C ATOM 1271 CG ARG A 85 -1.315 -8.295 -3.201 1.00 0.00 C ATOM 1272 CD ARG A 85 -1.814 -8.458 -1.761 1.00 0.00 C ATOM 1273 NE ARG A 85 -3.106 -9.156 -1.668 1.00 0.00 N ATOM 1274 CZ ARG A 85 -4.310 -8.614 -1.884 1.00 0.00 C ATOM 1275 NH1 ARG A 85 -4.419 -7.355 -2.300 1.00 0.00 N ATOM 1276 NH2 ARG A 85 -5.413 -9.325 -1.690 1.00 0.00 N ATOM 0 H ARG A 85 1.175 -9.039 -4.330 1.00 0.00 H new ATOM 0 HA ARG A 85 -0.362 -6.939 -5.326 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.596 -7.571 -2.522 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.559 -6.303 -2.884 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -2.131 -7.970 -3.847 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -0.964 -9.252 -3.588 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -1.069 -9.008 -1.186 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -1.907 -7.474 -1.302 1.00 0.00 H new ATOM 0 HE ARG A 85 -3.081 -10.144 -1.416 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -3.581 -6.795 -2.457 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -5.341 -6.950 -2.462 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -5.347 -10.293 -1.374 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -6.327 -8.904 -1.857 1.00 0.00 H new ATOM 1290 N MET A 86 2.616 -5.922 -4.256 1.00 0.00 N ATOM 1291 CA MET A 86 3.586 -4.850 -4.363 1.00 0.00 C ATOM 1292 C MET A 86 3.811 -4.428 -5.808 1.00 0.00 C ATOM 1293 O MET A 86 3.719 -3.240 -6.097 1.00 0.00 O ATOM 1294 CB MET A 86 4.912 -5.292 -3.749 1.00 0.00 C ATOM 1295 CG MET A 86 4.821 -5.494 -2.240 1.00 0.00 C ATOM 1296 SD MET A 86 6.364 -5.204 -1.353 1.00 0.00 S ATOM 1297 CE MET A 86 7.087 -6.833 -1.526 1.00 0.00 C ATOM 0 H MET A 86 3.000 -6.763 -3.825 1.00 0.00 H new ATOM 0 HA MET A 86 3.189 -3.991 -3.822 1.00 0.00 H new ATOM 0 HB2 MET A 86 5.233 -6.222 -4.218 1.00 0.00 H new ATOM 0 HB3 MET A 86 5.676 -4.545 -3.967 1.00 0.00 H new ATOM 0 HG2 MET A 86 4.057 -4.826 -1.842 1.00 0.00 H new ATOM 0 HG3 MET A 86 4.489 -6.513 -2.042 1.00 0.00 H new ATOM 0 HE1 MET A 86 7.989 -6.897 -0.918 1.00 0.00 H new ATOM 0 HE2 MET A 86 6.372 -7.586 -1.195 1.00 0.00 H new ATOM 0 HE3 MET A 86 7.341 -7.009 -2.571 1.00 0.00 H new ATOM 1307 N GLN A 87 4.117 -5.369 -6.704 1.00 0.00 N ATOM 1308 CA GLN A 87 4.278 -5.101 -8.130 1.00 0.00 C ATOM 1309 C GLN A 87 3.059 -4.318 -8.655 1.00 0.00 C ATOM 1310 O GLN A 87 3.225 -3.272 -9.278 1.00 0.00 O ATOM 1311 CB GLN A 87 4.508 -6.414 -8.877 1.00 0.00 C ATOM 1312 CG GLN A 87 4.857 -6.157 -10.350 1.00 0.00 C ATOM 1313 CD GLN A 87 6.334 -5.802 -10.552 1.00 0.00 C ATOM 1314 OE1 GLN A 87 6.894 -4.833 -10.033 1.00 0.00 O ATOM 1315 NE2 GLN A 87 6.989 -6.632 -11.322 1.00 0.00 N ATOM 0 H GLN A 87 4.261 -6.348 -6.455 1.00 0.00 H new ATOM 0 HA GLN A 87 5.155 -4.477 -8.302 1.00 0.00 H new ATOM 0 HB2 GLN A 87 5.315 -6.971 -8.400 1.00 0.00 H new ATOM 0 HB3 GLN A 87 3.613 -7.033 -8.815 1.00 0.00 H new ATOM 0 HG2 GLN A 87 4.617 -7.044 -10.937 1.00 0.00 H new ATOM 0 HG3 GLN A 87 4.237 -5.345 -10.730 1.00 0.00 H new ATOM 0 HE21 GLN A 87 6.507 -7.427 -11.741 1.00 0.00 H new ATOM 0 HE22 GLN A 87 7.982 -6.484 -11.503 1.00 0.00 H new ATOM 1324 N LEU A 88 1.835 -4.790 -8.389 1.00 0.00 N ATOM 1325 CA LEU A 88 0.627 -4.124 -8.879 1.00 0.00 C ATOM 1326 C LEU A 88 0.329 -2.815 -8.136 1.00 0.00 C ATOM 1327 O LEU A 88 -0.307 -1.937 -8.717 1.00 0.00 O ATOM 1328 CB LEU A 88 -0.601 -5.057 -8.823 1.00 0.00 C ATOM 1329 CG LEU A 88 -0.746 -6.104 -9.948 1.00 0.00 C ATOM 1330 CD1 LEU A 88 -0.552 -5.538 -11.361 1.00 0.00 C ATOM 1331 CD2 LEU A 88 0.158 -7.319 -9.755 1.00 0.00 C ATOM 0 H LEU A 88 1.657 -5.630 -7.838 1.00 0.00 H new ATOM 0 HA LEU A 88 0.828 -3.873 -9.920 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.579 -5.586 -7.870 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.497 -4.436 -8.823 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.784 -6.425 -9.864 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.670 -6.337 -12.093 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.295 -4.763 -11.548 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.447 -5.111 -11.448 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.009 -8.018 -10.578 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.200 -6.998 -9.735 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.088 -7.810 -8.814 1.00 0.00 H new ATOM 1343 N TRP A 89 0.764 -2.645 -6.884 1.00 0.00 N ATOM 1344 CA TRP A 89 0.635 -1.391 -6.144 1.00 0.00 C ATOM 1345 C TRP A 89 1.573 -0.346 -6.748 1.00 0.00 C ATOM 1346 O TRP A 89 1.217 0.817 -6.873 1.00 0.00 O ATOM 1347 CB TRP A 89 0.949 -1.640 -4.659 1.00 0.00 C ATOM 1348 CG TRP A 89 0.843 -0.460 -3.740 1.00 0.00 C ATOM 1349 CD1 TRP A 89 -0.289 -0.049 -3.131 1.00 0.00 C ATOM 1350 CD2 TRP A 89 1.884 0.459 -3.285 1.00 0.00 C ATOM 1351 NE1 TRP A 89 -0.035 1.064 -2.358 1.00 0.00 N ATOM 1352 CE2 TRP A 89 1.300 1.394 -2.378 1.00 0.00 C ATOM 1353 CE3 TRP A 89 3.265 0.588 -3.540 1.00 0.00 C ATOM 1354 CZ2 TRP A 89 2.045 2.398 -1.746 1.00 0.00 C ATOM 1355 CZ3 TRP A 89 4.028 1.592 -2.911 1.00 0.00 C ATOM 1356 CH2 TRP A 89 3.423 2.491 -2.011 1.00 0.00 C ATOM 0 H TRP A 89 1.221 -3.385 -6.351 1.00 0.00 H new ATOM 0 HA TRP A 89 -0.385 -1.013 -6.216 1.00 0.00 H new ATOM 0 HB2 TRP A 89 0.276 -2.416 -4.295 1.00 0.00 H new ATOM 0 HB3 TRP A 89 1.962 -2.037 -4.587 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -1.254 -0.523 -3.234 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -0.746 1.577 -1.838 1.00 0.00 H new ATOM 0 HE3 TRP A 89 3.745 -0.093 -4.228 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 1.569 3.089 -1.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 5.084 1.673 -3.121 1.00 0.00 H new ATOM 0 HH2 TRP A 89 4.017 3.251 -1.525 1.00 0.00 H new ATOM 1367 N LEU A 90 2.762 -0.749 -7.192 1.00 0.00 N ATOM 1368 CA LEU A 90 3.712 0.115 -7.888 1.00 0.00 C ATOM 1369 C LEU A 90 3.231 0.542 -9.289 1.00 0.00 C ATOM 1370 O LEU A 90 3.880 1.345 -9.961 1.00 0.00 O ATOM 1371 CB LEU A 90 5.037 -0.633 -7.999 1.00 0.00 C ATOM 1372 CG LEU A 90 5.833 -0.694 -6.682 1.00 0.00 C ATOM 1373 CD1 LEU A 90 7.017 -1.644 -6.906 1.00 0.00 C ATOM 1374 CD2 LEU A 90 6.258 0.702 -6.205 1.00 0.00 C ATOM 0 H LEU A 90 3.098 -1.705 -7.075 1.00 0.00 H new ATOM 0 HA LEU A 90 3.819 1.034 -7.311 1.00 0.00 H new ATOM 0 HB2 LEU A 90 4.841 -1.649 -8.341 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.651 -0.153 -8.761 1.00 0.00 H new ATOM 0 HG LEU A 90 5.211 -1.080 -5.874 1.00 0.00 H new ATOM 0 HD11 LEU A 90 7.606 -1.713 -5.992 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.645 -2.633 -7.173 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.643 -1.262 -7.713 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.817 0.614 -5.273 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.887 1.169 -6.962 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.372 1.315 -6.040 1.00 0.00 H new ATOM 1386 N ASN A 91 2.116 -0.026 -9.741 1.00 0.00 N ATOM 1387 CA ASN A 91 1.442 0.247 -11.008 1.00 0.00 C ATOM 1388 C ASN A 91 0.121 1.011 -10.811 1.00 0.00 C ATOM 1389 O ASN A 91 -0.563 1.309 -11.785 1.00 0.00 O ATOM 1390 CB ASN A 91 1.217 -1.098 -11.714 1.00 0.00 C ATOM 1391 CG ASN A 91 0.578 -0.950 -13.086 1.00 0.00 C ATOM 1392 OD1 ASN A 91 1.221 -0.510 -14.030 1.00 0.00 O ATOM 1393 ND2 ASN A 91 -0.635 -1.448 -13.276 1.00 0.00 N ATOM 0 H ASN A 91 1.627 -0.736 -9.196 1.00 0.00 H new ATOM 0 HA ASN A 91 2.066 0.896 -11.622 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.173 -1.612 -11.818 1.00 0.00 H new ATOM 0 HB3 ASN A 91 0.583 -1.728 -11.090 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -1.038 -1.466 -14.213 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -1.166 -1.813 -12.485 1.00 0.00 H new ATOM 1400 N ASP A 92 -0.276 1.316 -9.572 1.00 0.00 N ATOM 1401 CA ASP A 92 -1.478 2.106 -9.296 1.00 0.00 C ATOM 1402 C ASP A 92 -1.088 3.590 -9.286 1.00 0.00 C ATOM 1403 O ASP A 92 -0.132 3.958 -8.598 1.00 0.00 O ATOM 1404 CB ASP A 92 -2.085 1.707 -7.937 1.00 0.00 C ATOM 1405 CG ASP A 92 -3.186 0.660 -8.009 1.00 0.00 C ATOM 1406 OD1 ASP A 92 -4.077 0.760 -8.883 1.00 0.00 O ATOM 1407 OD2 ASP A 92 -3.173 -0.251 -7.149 1.00 0.00 O ATOM 0 H ASP A 92 0.226 1.023 -8.734 1.00 0.00 H new ATOM 0 HA ASP A 92 -2.227 1.920 -10.066 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -1.288 1.331 -7.296 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -2.485 2.601 -7.458 1.00 0.00 H new ATOM 1412 N PRO A 93 -1.802 4.484 -9.989 1.00 0.00 N ATOM 1413 CA PRO A 93 -1.464 5.901 -10.027 1.00 0.00 C ATOM 1414 C PRO A 93 -1.793 6.601 -8.705 1.00 0.00 C ATOM 1415 O PRO A 93 -1.105 7.557 -8.351 1.00 0.00 O ATOM 1416 CB PRO A 93 -2.249 6.488 -11.202 1.00 0.00 C ATOM 1417 CG PRO A 93 -3.448 5.552 -11.331 1.00 0.00 C ATOM 1418 CD PRO A 93 -2.920 4.203 -10.865 1.00 0.00 C ATOM 0 HA PRO A 93 -0.392 6.048 -10.162 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -2.560 7.514 -11.005 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -1.653 6.505 -12.114 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -4.283 5.887 -10.716 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.808 5.505 -12.359 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.694 3.643 -10.340 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -2.606 3.594 -11.713 1.00 0.00 H new ATOM 1426 N HIS A 94 -2.804 6.136 -7.959 1.00 0.00 N ATOM 1427 CA HIS A 94 -3.157 6.672 -6.642 1.00 0.00 C ATOM 1428 C HIS A 94 -2.471 5.923 -5.503 1.00 0.00 C ATOM 1429 O HIS A 94 -2.760 6.220 -4.353 1.00 0.00 O ATOM 1430 CB HIS A 94 -4.681 6.652 -6.429 1.00 0.00 C ATOM 1431 CG HIS A 94 -5.391 7.738 -7.185 1.00 0.00 C ATOM 1432 ND1 HIS A 94 -6.067 8.792 -6.613 1.00 0.00 N ATOM 1433 CD2 HIS A 94 -5.426 7.895 -8.544 1.00 0.00 C ATOM 1434 CE1 HIS A 94 -6.490 9.582 -7.614 1.00 0.00 C ATOM 1435 NE2 HIS A 94 -6.132 9.072 -8.807 1.00 0.00 N ATOM 0 H HIS A 94 -3.405 5.368 -8.258 1.00 0.00 H new ATOM 0 HA HIS A 94 -2.802 7.702 -6.625 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -5.074 5.684 -6.740 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -4.896 6.757 -5.365 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -4.989 7.233 -9.277 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -7.042 10.501 -7.480 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -6.336 9.468 -9.725 1.00 0.00 H new ATOM 1443 N ASN A 95 -1.590 4.962 -5.774 1.00 0.00 N ATOM 1444 CA ASN A 95 -0.999 4.074 -4.773 1.00 0.00 C ATOM 1445 C ASN A 95 -0.562 4.768 -3.480 1.00 0.00 C ATOM 1446 O ASN A 95 -1.036 4.417 -2.396 1.00 0.00 O ATOM 1447 CB ASN A 95 0.155 3.283 -5.396 1.00 0.00 C ATOM 1448 CG ASN A 95 1.308 4.081 -5.996 1.00 0.00 C ATOM 1449 OD1 ASN A 95 1.231 5.292 -6.200 1.00 0.00 O ATOM 1450 ND2 ASN A 95 2.384 3.385 -6.307 1.00 0.00 N ATOM 0 H ASN A 95 -1.258 4.774 -6.720 1.00 0.00 H new ATOM 0 HA ASN A 95 -1.793 3.394 -4.465 1.00 0.00 H new ATOM 0 HB2 ASN A 95 0.564 2.624 -4.630 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -0.257 2.646 -6.178 1.00 0.00 H new ATOM 0 HD21 ASN A 95 3.187 3.850 -6.731 1.00 0.00 H new ATOM 0 HD22 ASN A 95 2.413 2.382 -6.124 1.00 0.00 H new ATOM 1457 N VAL A 96 0.333 5.748 -3.559 1.00 0.00 N ATOM 1458 CA VAL A 96 0.881 6.414 -2.403 1.00 0.00 C ATOM 1459 C VAL A 96 -0.131 7.401 -1.818 1.00 0.00 C ATOM 1460 O VAL A 96 -0.138 7.651 -0.613 1.00 0.00 O ATOM 1461 CB VAL A 96 2.184 7.109 -2.832 1.00 0.00 C ATOM 1462 CG1 VAL A 96 2.802 7.761 -1.612 1.00 0.00 C ATOM 1463 CG2 VAL A 96 3.201 6.147 -3.447 1.00 0.00 C ATOM 0 H VAL A 96 0.697 6.100 -4.444 1.00 0.00 H new ATOM 0 HA VAL A 96 1.101 5.695 -1.613 1.00 0.00 H new ATOM 0 HB VAL A 96 1.930 7.841 -3.599 1.00 0.00 H new ATOM 0 HG11 VAL A 96 3.729 8.260 -1.896 1.00 0.00 H new ATOM 0 HG12 VAL A 96 2.108 8.493 -1.199 1.00 0.00 H new ATOM 0 HG13 VAL A 96 3.015 7.000 -0.861 1.00 0.00 H new ATOM 0 HG21 VAL A 96 4.098 6.698 -3.729 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.461 5.378 -2.719 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.770 5.678 -4.332 1.00 0.00 H new ATOM 1473 N GLU A 97 -0.963 8.004 -2.660 1.00 0.00 N ATOM 1474 CA GLU A 97 -2.050 8.887 -2.250 1.00 0.00 C ATOM 1475 C GLU A 97 -3.057 8.152 -1.363 1.00 0.00 C ATOM 1476 O GLU A 97 -3.350 8.585 -0.244 1.00 0.00 O ATOM 1477 CB GLU A 97 -2.717 9.483 -3.507 1.00 0.00 C ATOM 1478 CG GLU A 97 -2.146 10.874 -3.803 1.00 0.00 C ATOM 1479 CD GLU A 97 -2.440 11.870 -2.675 1.00 0.00 C ATOM 1480 OE1 GLU A 97 -3.483 11.729 -1.991 1.00 0.00 O ATOM 1481 OE2 GLU A 97 -1.606 12.750 -2.381 1.00 0.00 O ATOM 0 H GLU A 97 -0.899 7.890 -3.672 1.00 0.00 H new ATOM 0 HA GLU A 97 -1.647 9.702 -1.649 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.552 8.826 -4.361 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -3.795 9.549 -3.359 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -1.068 10.800 -3.949 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.569 11.248 -4.736 1.00 0.00 H new ATOM 1488 N LYS A 98 -3.560 7.021 -1.850 1.00 0.00 N ATOM 1489 CA LYS A 98 -4.529 6.177 -1.176 1.00 0.00 C ATOM 1490 C LYS A 98 -3.904 5.558 0.070 1.00 0.00 C ATOM 1491 O LYS A 98 -4.587 5.446 1.086 1.00 0.00 O ATOM 1492 CB LYS A 98 -5.040 5.114 -2.166 1.00 0.00 C ATOM 1493 CG LYS A 98 -6.447 4.609 -1.800 1.00 0.00 C ATOM 1494 CD LYS A 98 -7.508 4.879 -2.875 1.00 0.00 C ATOM 1495 CE LYS A 98 -7.244 4.035 -4.126 1.00 0.00 C ATOM 1496 NZ LYS A 98 -8.360 4.090 -5.086 1.00 0.00 N ATOM 0 H LYS A 98 -3.289 6.657 -2.763 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.383 6.766 -0.843 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.057 5.534 -3.172 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -4.347 4.273 -2.184 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -6.399 3.536 -1.613 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -6.760 5.081 -0.869 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -8.498 4.652 -2.480 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -7.505 5.937 -3.138 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -6.333 4.385 -4.612 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -7.071 3.000 -3.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -8.134 3.504 -5.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -9.225 3.731 -4.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -8.510 5.074 -5.388 1.00 0.00 H new ATOM 1510 N LEU A 99 -2.614 5.202 0.043 1.00 0.00 N ATOM 1511 CA LEU A 99 -1.915 4.740 1.240 1.00 0.00 C ATOM 1512 C LEU A 99 -1.859 5.853 2.291 1.00 0.00 C ATOM 1513 O LEU A 99 -2.117 5.597 3.464 1.00 0.00 O ATOM 1514 CB LEU A 99 -0.504 4.238 0.883 1.00 0.00 C ATOM 1515 CG LEU A 99 0.298 3.728 2.099 1.00 0.00 C ATOM 1516 CD1 LEU A 99 -0.382 2.554 2.803 1.00 0.00 C ATOM 1517 CD2 LEU A 99 1.677 3.228 1.659 1.00 0.00 C ATOM 0 H LEU A 99 -2.036 5.226 -0.797 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.469 3.903 1.666 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.588 3.435 0.151 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.050 5.047 0.406 1.00 0.00 H new ATOM 0 HG LEU A 99 0.369 4.576 2.781 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.226 2.236 3.650 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.366 2.862 3.157 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.492 1.725 2.104 1.00 0.00 H new ATOM 0 HD21 LEU A 99 2.229 2.872 2.529 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.558 2.412 0.946 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.227 4.043 1.189 1.00 0.00 H new ATOM 1529 N ARG A 100 -1.536 7.092 1.902 1.00 0.00 N ATOM 1530 CA ARG A 100 -1.493 8.216 2.841 1.00 0.00 C ATOM 1531 C ARG A 100 -2.856 8.466 3.478 1.00 0.00 C ATOM 1532 O ARG A 100 -2.904 8.830 4.654 1.00 0.00 O ATOM 1533 CB ARG A 100 -1.000 9.487 2.128 1.00 0.00 C ATOM 1534 CG ARG A 100 0.530 9.558 2.083 1.00 0.00 C ATOM 1535 CD ARG A 100 1.008 10.715 1.207 1.00 0.00 C ATOM 1536 NE ARG A 100 0.920 10.371 -0.216 1.00 0.00 N ATOM 1537 CZ ARG A 100 0.976 11.245 -1.226 1.00 0.00 C ATOM 1538 NH1 ARG A 100 1.068 12.546 -0.989 1.00 0.00 N ATOM 1539 NH2 ARG A 100 0.955 10.823 -2.485 1.00 0.00 N ATOM 0 H ARG A 100 -1.300 7.341 0.941 1.00 0.00 H new ATOM 0 HA ARG A 100 -0.795 7.958 3.637 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -1.395 9.510 1.112 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -1.390 10.366 2.642 1.00 0.00 H new ATOM 0 HG2 ARG A 100 0.920 9.679 3.094 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.928 8.619 1.698 1.00 0.00 H new ATOM 0 HD2 ARG A 100 0.405 11.601 1.408 1.00 0.00 H new ATOM 0 HD3 ARG A 100 2.038 10.966 1.461 1.00 0.00 H new ATOM 0 HE ARG A 100 0.807 9.386 -0.454 1.00 0.00 H new ATOM 0 HH11 ARG A 100 1.097 12.889 -0.029 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.110 13.204 -1.767 1.00 0.00 H new ATOM 0 HH21 ARG A 100 0.896 9.825 -2.687 1.00 0.00 H new ATOM 0 HH22 ARG A 100 0.998 11.497 -3.250 1.00 0.00 H new ATOM 1553 N ASP A 101 -3.937 8.283 2.722 1.00 0.00 N ATOM 1554 CA ASP A 101 -5.322 8.485 3.150 1.00 0.00 C ATOM 1555 C ASP A 101 -5.761 7.487 4.226 1.00 0.00 C ATOM 1556 O ASP A 101 -6.664 7.801 4.987 1.00 0.00 O ATOM 1557 CB ASP A 101 -6.206 8.402 1.897 1.00 0.00 C ATOM 1558 CG ASP A 101 -7.691 8.674 2.137 1.00 0.00 C ATOM 1559 OD1 ASP A 101 -8.044 9.814 2.508 1.00 0.00 O ATOM 1560 OD2 ASP A 101 -8.517 7.799 1.788 1.00 0.00 O ATOM 0 H ASP A 101 -3.870 7.976 1.752 1.00 0.00 H new ATOM 0 HA ASP A 101 -5.419 9.463 3.621 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -5.835 9.115 1.161 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -6.100 7.409 1.460 1.00 0.00 H new