USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 601 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 16 THR OG1 : rot -140:sc= -3.99! USER MOD Set 1.2: A 19 ASN : amide:sc= -6.68! C(o=-11!,f=-12!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -3.34! C(o=-3.3!,f=-4!) USER MOD Single : A 26 ASN : amide:sc= -3.97! C(o=-4!,f=-13!) USER MOD Single : A 28 ASN : amide:sc= -0.329 K(o=-0.33,f=-2.5!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -122:sc= -0.118 (180deg=-1.87) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.159 X(o=-0.16,f=-0.025) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0577 USER MOD Single : A 56 THR OG1 : rot 148:sc= -0.598! USER MOD Single : A 57 ASN : amide:sc= -0.0207 X(o=-0.021,f=-0.021) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -102:sc= -1.87! USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 1.25 (180deg=1.25) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.94 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -7.12! C(o=-7.1!,f=-9.3!) USER MOD Single : A 88 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.364) USER MOD ----------------------------------------------------------------- ATOM 190 N THR A 15 70.315 9.337 -2.465 1.00 0.00 N ATOM 191 CA THR A 15 70.178 9.832 -1.067 1.00 0.00 C ATOM 192 C THR A 15 71.485 10.486 -0.614 1.00 0.00 C ATOM 193 O THR A 15 71.541 11.162 0.394 1.00 0.00 O ATOM 194 CB THR A 15 69.858 8.580 -0.236 1.00 0.00 C ATOM 195 OG1 THR A 15 69.065 8.948 0.883 1.00 0.00 O ATOM 196 CG2 THR A 15 71.148 7.909 0.252 1.00 0.00 C ATOM 0 HA THR A 15 69.402 10.589 -0.960 1.00 0.00 H new ATOM 0 HB THR A 15 69.314 7.874 -0.863 1.00 0.00 H new ATOM 0 HG1 THR A 15 68.858 8.151 1.414 1.00 0.00 H new ATOM 0 HG21 THR A 15 70.899 7.025 0.838 1.00 0.00 H new ATOM 0 HG22 THR A 15 71.753 7.617 -0.606 1.00 0.00 H new ATOM 0 HG23 THR A 15 71.710 8.608 0.871 1.00 0.00 H new ATOM 204 N THR A 16 72.535 10.280 -1.354 1.00 0.00 N ATOM 205 CA THR A 16 73.846 10.879 -0.971 1.00 0.00 C ATOM 206 C THR A 16 74.678 11.202 -2.214 1.00 0.00 C ATOM 207 O THR A 16 74.371 10.759 -3.303 1.00 0.00 O ATOM 208 CB THR A 16 74.543 9.809 -0.130 1.00 0.00 C ATOM 209 OG1 THR A 16 73.798 8.600 -0.182 1.00 0.00 O ATOM 210 CG2 THR A 16 74.644 10.285 1.316 1.00 0.00 C ATOM 0 H THR A 16 72.545 9.723 -2.208 1.00 0.00 H new ATOM 0 HA THR A 16 73.719 11.814 -0.426 1.00 0.00 H new ATOM 0 HB THR A 16 75.543 9.633 -0.525 1.00 0.00 H new ATOM 0 HG1 THR A 16 73.792 8.181 0.704 1.00 0.00 H new ATOM 0 HG21 THR A 16 75.141 9.523 1.916 1.00 0.00 H new ATOM 0 HG22 THR A 16 75.220 11.210 1.355 1.00 0.00 H new ATOM 0 HG23 THR A 16 73.644 10.463 1.711 1.00 0.00 H new ATOM 218 N PRO A 17 75.709 11.973 -1.999 1.00 0.00 N ATOM 219 CA PRO A 17 76.606 12.376 -3.106 1.00 0.00 C ATOM 220 C PRO A 17 77.579 11.244 -3.457 1.00 0.00 C ATOM 221 O PRO A 17 77.828 10.967 -4.613 1.00 0.00 O ATOM 222 CB PRO A 17 77.359 13.573 -2.534 1.00 0.00 C ATOM 223 CG PRO A 17 77.327 13.389 -1.048 1.00 0.00 C ATOM 224 CD PRO A 17 76.123 12.543 -0.714 1.00 0.00 C ATOM 0 HA PRO A 17 76.069 12.608 -4.025 1.00 0.00 H new ATOM 0 HB2 PRO A 17 78.384 13.606 -2.904 1.00 0.00 H new ATOM 0 HB3 PRO A 17 76.885 14.511 -2.824 1.00 0.00 H new ATOM 0 HG2 PRO A 17 78.241 12.906 -0.703 1.00 0.00 H new ATOM 0 HG3 PRO A 17 77.267 14.354 -0.545 1.00 0.00 H new ATOM 0 HD2 PRO A 17 76.373 11.762 0.005 1.00 0.00 H new ATOM 0 HD3 PRO A 17 75.328 13.142 -0.270 1.00 0.00 H new ATOM 232 N PHE A 18 78.138 10.593 -2.471 1.00 0.00 N ATOM 233 CA PHE A 18 79.099 9.490 -2.760 1.00 0.00 C ATOM 234 C PHE A 18 78.392 8.134 -2.703 1.00 0.00 C ATOM 235 O PHE A 18 77.990 7.673 -1.653 1.00 0.00 O ATOM 236 CB PHE A 18 80.160 9.593 -1.665 1.00 0.00 C ATOM 237 CG PHE A 18 80.915 10.891 -1.821 1.00 0.00 C ATOM 238 CD1 PHE A 18 81.953 10.989 -2.755 1.00 0.00 C ATOM 239 CD2 PHE A 18 80.574 11.998 -1.035 1.00 0.00 C ATOM 240 CE1 PHE A 18 82.651 12.194 -2.902 1.00 0.00 C ATOM 241 CE2 PHE A 18 81.271 13.203 -1.183 1.00 0.00 C ATOM 242 CZ PHE A 18 82.310 13.301 -2.116 1.00 0.00 C ATOM 0 H PHE A 18 77.971 10.777 -1.482 1.00 0.00 H new ATOM 0 HA PHE A 18 79.532 9.573 -3.757 1.00 0.00 H new ATOM 0 HB2 PHE A 18 79.690 9.548 -0.682 1.00 0.00 H new ATOM 0 HB3 PHE A 18 80.847 8.749 -1.728 1.00 0.00 H new ATOM 0 HD1 PHE A 18 82.216 10.135 -3.362 1.00 0.00 H new ATOM 0 HD2 PHE A 18 79.773 11.922 -0.314 1.00 0.00 H new ATOM 0 HE1 PHE A 18 83.453 12.269 -3.622 1.00 0.00 H new ATOM 0 HE2 PHE A 18 81.007 14.057 -0.577 1.00 0.00 H new ATOM 0 HZ PHE A 18 82.848 14.230 -2.229 1.00 0.00 H new ATOM 252 N ASN A 19 78.242 7.492 -3.829 1.00 0.00 N ATOM 253 CA ASN A 19 77.569 6.167 -3.855 1.00 0.00 C ATOM 254 C ASN A 19 78.332 5.214 -4.774 1.00 0.00 C ATOM 255 O ASN A 19 78.977 5.626 -5.717 1.00 0.00 O ATOM 256 CB ASN A 19 76.172 6.439 -4.412 1.00 0.00 C ATOM 257 CG ASN A 19 75.590 7.689 -3.751 1.00 0.00 C ATOM 258 OD1 ASN A 19 74.678 7.601 -2.954 1.00 0.00 O ATOM 259 ND2 ASN A 19 76.083 8.859 -4.052 1.00 0.00 N ATOM 0 H ASN A 19 78.559 7.832 -4.737 1.00 0.00 H new ATOM 0 HA ASN A 19 77.529 5.704 -2.869 1.00 0.00 H new ATOM 0 HB2 ASN A 19 76.221 6.576 -5.492 1.00 0.00 H new ATOM 0 HB3 ASN A 19 75.523 5.583 -4.228 1.00 0.00 H new ATOM 0 HD21 ASN A 19 75.702 9.700 -3.618 1.00 0.00 H new ATOM 0 HD22 ASN A 19 76.849 8.933 -4.721 1.00 0.00 H new ATOM 266 N LEU A 20 78.261 3.944 -4.506 1.00 0.00 N ATOM 267 CA LEU A 20 78.980 2.960 -5.363 1.00 0.00 C ATOM 268 C LEU A 20 78.402 1.557 -5.164 1.00 0.00 C ATOM 269 O LEU A 20 77.459 1.360 -4.422 1.00 0.00 O ATOM 270 CB LEU A 20 80.435 3.013 -4.897 1.00 0.00 C ATOM 271 CG LEU A 20 80.522 2.565 -3.438 1.00 0.00 C ATOM 272 CD1 LEU A 20 80.497 1.037 -3.367 1.00 0.00 C ATOM 273 CD2 LEU A 20 81.828 3.080 -2.830 1.00 0.00 C ATOM 0 H LEU A 20 77.736 3.541 -3.730 1.00 0.00 H new ATOM 0 HA LEU A 20 78.884 3.193 -6.424 1.00 0.00 H new ATOM 0 HB2 LEU A 20 81.052 2.369 -5.523 1.00 0.00 H new ATOM 0 HB3 LEU A 20 80.824 4.026 -5.001 1.00 0.00 H new ATOM 0 HG LEU A 20 79.674 2.966 -2.883 1.00 0.00 H new ATOM 0 HD11 LEU A 20 80.559 0.720 -2.326 1.00 0.00 H new ATOM 0 HD12 LEU A 20 79.569 0.668 -3.804 1.00 0.00 H new ATOM 0 HD13 LEU A 20 81.345 0.633 -3.920 1.00 0.00 H new ATOM 0 HD21 LEU A 20 81.895 2.763 -1.789 1.00 0.00 H new ATOM 0 HD22 LEU A 20 82.673 2.676 -3.387 1.00 0.00 H new ATOM 0 HD23 LEU A 20 81.848 4.169 -2.880 1.00 0.00 H new ATOM 285 N PHE A 21 78.962 0.582 -5.824 1.00 0.00 N ATOM 286 CA PHE A 21 78.449 -0.811 -5.683 1.00 0.00 C ATOM 287 C PHE A 21 79.482 -1.689 -4.972 1.00 0.00 C ATOM 288 O PHE A 21 80.674 -1.507 -5.122 1.00 0.00 O ATOM 289 CB PHE A 21 78.229 -1.294 -7.117 1.00 0.00 C ATOM 290 CG PHE A 21 78.046 -2.792 -7.123 1.00 0.00 C ATOM 291 CD1 PHE A 21 77.208 -3.398 -6.181 1.00 0.00 C ATOM 292 CD2 PHE A 21 78.716 -3.574 -8.071 1.00 0.00 C ATOM 293 CE1 PHE A 21 77.039 -4.788 -6.187 1.00 0.00 C ATOM 294 CE2 PHE A 21 78.548 -4.964 -8.077 1.00 0.00 C ATOM 295 CZ PHE A 21 77.709 -5.571 -7.135 1.00 0.00 C ATOM 0 H PHE A 21 79.755 0.689 -6.457 1.00 0.00 H new ATOM 0 HA PHE A 21 77.536 -0.858 -5.090 1.00 0.00 H new ATOM 0 HB2 PHE A 21 77.352 -0.808 -7.545 1.00 0.00 H new ATOM 0 HB3 PHE A 21 79.081 -1.019 -7.739 1.00 0.00 H new ATOM 0 HD1 PHE A 21 76.692 -2.794 -5.450 1.00 0.00 H new ATOM 0 HD2 PHE A 21 79.363 -3.105 -8.798 1.00 0.00 H new ATOM 0 HE1 PHE A 21 76.392 -5.256 -5.460 1.00 0.00 H new ATOM 0 HE2 PHE A 21 79.065 -5.568 -8.808 1.00 0.00 H new ATOM 0 HZ PHE A 21 77.579 -6.643 -7.139 1.00 0.00 H new ATOM 305 N ILE A 22 79.034 -2.640 -4.200 1.00 0.00 N ATOM 306 CA ILE A 22 79.988 -3.531 -3.480 1.00 0.00 C ATOM 307 C ILE A 22 79.593 -4.997 -3.694 1.00 0.00 C ATOM 308 O ILE A 22 78.454 -5.307 -3.975 1.00 0.00 O ATOM 309 CB ILE A 22 79.868 -3.119 -2.005 1.00 0.00 C ATOM 310 CG1 ILE A 22 80.908 -2.038 -1.701 1.00 0.00 C ATOM 311 CG2 ILE A 22 80.108 -4.323 -1.088 1.00 0.00 C ATOM 312 CD1 ILE A 22 80.320 -1.024 -0.719 1.00 0.00 C ATOM 0 H ILE A 22 78.047 -2.839 -4.036 1.00 0.00 H new ATOM 0 HA ILE A 22 81.014 -3.436 -3.835 1.00 0.00 H new ATOM 0 HB ILE A 22 78.863 -2.737 -1.826 1.00 0.00 H new ATOM 0 HG12 ILE A 22 81.805 -2.491 -1.279 1.00 0.00 H new ATOM 0 HG13 ILE A 22 81.207 -1.537 -2.622 1.00 0.00 H new ATOM 0 HG21 ILE A 22 80.019 -4.011 -0.047 1.00 0.00 H new ATOM 0 HG22 ILE A 22 79.368 -5.095 -1.300 1.00 0.00 H new ATOM 0 HG23 ILE A 22 81.108 -4.720 -1.263 1.00 0.00 H new ATOM 0 HD11 ILE A 22 81.061 -0.255 -0.503 1.00 0.00 H new ATOM 0 HD12 ILE A 22 79.436 -0.563 -1.158 1.00 0.00 H new ATOM 0 HD13 ILE A 22 80.043 -1.531 0.205 1.00 0.00 H new ATOM 324 N GLY A 23 80.530 -5.897 -3.565 1.00 0.00 N ATOM 325 CA GLY A 23 80.208 -7.340 -3.765 1.00 0.00 C ATOM 326 C GLY A 23 80.875 -8.179 -2.672 1.00 0.00 C ATOM 327 O GLY A 23 81.314 -7.666 -1.662 1.00 0.00 O ATOM 0 H GLY A 23 81.502 -5.697 -3.330 1.00 0.00 H new ATOM 0 HA2 GLY A 23 79.128 -7.487 -3.741 1.00 0.00 H new ATOM 0 HA3 GLY A 23 80.552 -7.666 -4.747 1.00 0.00 H new ATOM 331 N ASN A 24 80.951 -9.468 -2.868 1.00 0.00 N ATOM 332 CA ASN A 24 81.585 -10.345 -1.841 1.00 0.00 C ATOM 333 C ASN A 24 80.753 -10.337 -0.557 1.00 0.00 C ATOM 334 O ASN A 24 81.152 -9.788 0.451 1.00 0.00 O ATOM 335 CB ASN A 24 82.966 -9.737 -1.594 1.00 0.00 C ATOM 336 CG ASN A 24 83.873 -10.781 -0.940 1.00 0.00 C ATOM 337 OD1 ASN A 24 83.408 -11.805 -0.481 1.00 0.00 O ATOM 338 ND2 ASN A 24 85.159 -10.564 -0.879 1.00 0.00 N ATOM 0 H ASN A 24 80.601 -9.952 -3.695 1.00 0.00 H new ATOM 0 HA ASN A 24 81.654 -11.382 -2.168 1.00 0.00 H new ATOM 0 HB2 ASN A 24 83.401 -9.400 -2.535 1.00 0.00 H new ATOM 0 HB3 ASN A 24 82.880 -8.861 -0.951 1.00 0.00 H new ATOM 0 HD21 ASN A 24 85.773 -11.254 -0.446 1.00 0.00 H new ATOM 0 HD22 ASN A 24 85.550 -9.704 -1.264 1.00 0.00 H new ATOM 345 N LEU A 25 79.598 -10.943 -0.588 1.00 0.00 N ATOM 346 CA LEU A 25 78.737 -10.970 0.628 1.00 0.00 C ATOM 347 C LEU A 25 78.499 -12.412 1.076 1.00 0.00 C ATOM 348 O LEU A 25 78.130 -13.266 0.296 1.00 0.00 O ATOM 349 CB LEU A 25 77.422 -10.320 0.198 1.00 0.00 C ATOM 350 CG LEU A 25 77.588 -8.800 0.167 1.00 0.00 C ATOM 351 CD1 LEU A 25 78.651 -8.421 -0.866 1.00 0.00 C ATOM 352 CD2 LEU A 25 76.255 -8.152 -0.214 1.00 0.00 C ATOM 0 H LEU A 25 79.213 -11.421 -1.403 1.00 0.00 H new ATOM 0 HA LEU A 25 79.195 -10.448 1.468 1.00 0.00 H new ATOM 0 HB2 LEU A 25 77.129 -10.684 -0.787 1.00 0.00 H new ATOM 0 HB3 LEU A 25 76.625 -10.595 0.889 1.00 0.00 H new ATOM 0 HG LEU A 25 77.898 -8.449 1.151 1.00 0.00 H new ATOM 0 HD11 LEU A 25 78.768 -7.338 -0.887 1.00 0.00 H new ATOM 0 HD12 LEU A 25 79.601 -8.884 -0.597 1.00 0.00 H new ATOM 0 HD13 LEU A 25 78.343 -8.772 -1.851 1.00 0.00 H new ATOM 0 HD21 LEU A 25 76.371 -7.068 -0.237 1.00 0.00 H new ATOM 0 HD22 LEU A 25 75.947 -8.505 -1.198 1.00 0.00 H new ATOM 0 HD23 LEU A 25 75.497 -8.421 0.521 1.00 0.00 H new ATOM 364 N ASN A 26 78.710 -12.683 2.332 1.00 0.00 N ATOM 365 CA ASN A 26 78.501 -14.064 2.848 1.00 0.00 C ATOM 366 C ASN A 26 77.090 -14.553 2.505 1.00 0.00 C ATOM 367 O ASN A 26 76.119 -14.099 3.076 1.00 0.00 O ATOM 368 CB ASN A 26 78.675 -13.936 4.359 1.00 0.00 C ATOM 369 CG ASN A 26 78.378 -15.279 5.026 1.00 0.00 C ATOM 370 OD1 ASN A 26 78.346 -16.303 4.372 1.00 0.00 O ATOM 371 ND2 ASN A 26 78.158 -15.320 6.312 1.00 0.00 N ATOM 0 H ASN A 26 79.020 -12.004 3.028 1.00 0.00 H new ATOM 0 HA ASN A 26 79.194 -14.784 2.412 1.00 0.00 H new ATOM 0 HB2 ASN A 26 79.692 -13.620 4.592 1.00 0.00 H new ATOM 0 HB3 ASN A 26 78.005 -13.169 4.749 1.00 0.00 H new ATOM 0 HD21 ASN A 26 77.959 -16.211 6.767 1.00 0.00 H new ATOM 0 HD22 ASN A 26 78.185 -14.461 6.862 1.00 0.00 H new ATOM 378 N PRO A 27 77.030 -15.468 1.576 1.00 0.00 N ATOM 379 CA PRO A 27 75.728 -16.032 1.143 1.00 0.00 C ATOM 380 C PRO A 27 75.183 -16.995 2.202 1.00 0.00 C ATOM 381 O PRO A 27 74.058 -17.447 2.123 1.00 0.00 O ATOM 382 CB PRO A 27 76.073 -16.778 -0.143 1.00 0.00 C ATOM 383 CG PRO A 27 77.526 -17.113 -0.022 1.00 0.00 C ATOM 384 CD PRO A 27 78.159 -16.056 0.848 1.00 0.00 C ATOM 0 HA PRO A 27 74.959 -15.274 0.998 1.00 0.00 H new ATOM 0 HB2 PRO A 27 75.469 -17.679 -0.250 1.00 0.00 H new ATOM 0 HB3 PRO A 27 75.883 -16.160 -1.020 1.00 0.00 H new ATOM 0 HG2 PRO A 27 77.657 -18.102 0.418 1.00 0.00 H new ATOM 0 HG3 PRO A 27 77.998 -17.136 -1.004 1.00 0.00 H new ATOM 0 HD2 PRO A 27 78.892 -16.487 1.530 1.00 0.00 H new ATOM 0 HD3 PRO A 27 78.681 -15.308 0.251 1.00 0.00 H new ATOM 392 N ASN A 28 75.972 -17.312 3.193 1.00 0.00 N ATOM 393 CA ASN A 28 75.496 -18.244 4.255 1.00 0.00 C ATOM 394 C ASN A 28 74.700 -17.474 5.310 1.00 0.00 C ATOM 395 O ASN A 28 73.999 -18.049 6.119 1.00 0.00 O ATOM 396 CB ASN A 28 76.767 -18.835 4.865 1.00 0.00 C ATOM 397 CG ASN A 28 77.514 -19.646 3.805 1.00 0.00 C ATOM 398 OD1 ASN A 28 77.979 -19.102 2.823 1.00 0.00 O ATOM 399 ND2 ASN A 28 77.651 -20.934 3.963 1.00 0.00 N ATOM 0 H ASN A 28 76.924 -16.966 3.313 1.00 0.00 H new ATOM 0 HA ASN A 28 74.838 -19.019 3.862 1.00 0.00 H new ATOM 0 HB2 ASN A 28 77.406 -18.037 5.244 1.00 0.00 H new ATOM 0 HB3 ASN A 28 76.514 -19.471 5.713 1.00 0.00 H new ATOM 0 HD21 ASN A 28 78.148 -21.484 3.262 1.00 0.00 H new ATOM 0 HD22 ASN A 28 77.261 -21.391 4.787 1.00 0.00 H new ATOM 406 N LYS A 29 74.803 -16.174 5.303 1.00 0.00 N ATOM 407 CA LYS A 29 74.055 -15.358 6.298 1.00 0.00 C ATOM 408 C LYS A 29 73.062 -14.444 5.579 1.00 0.00 C ATOM 409 O LYS A 29 72.660 -14.706 4.463 1.00 0.00 O ATOM 410 CB LYS A 29 75.125 -14.536 7.016 1.00 0.00 C ATOM 411 CG LYS A 29 75.266 -15.032 8.456 1.00 0.00 C ATOM 412 CD LYS A 29 74.021 -14.643 9.255 1.00 0.00 C ATOM 413 CE LYS A 29 73.787 -15.667 10.369 1.00 0.00 C ATOM 414 NZ LYS A 29 72.448 -16.251 10.080 1.00 0.00 N ATOM 0 H LYS A 29 75.375 -15.641 4.648 1.00 0.00 H new ATOM 0 HA LYS A 29 73.480 -15.969 6.994 1.00 0.00 H new ATOM 0 HB2 LYS A 29 76.078 -14.624 6.494 1.00 0.00 H new ATOM 0 HB3 LYS A 29 74.854 -13.480 7.008 1.00 0.00 H new ATOM 0 HG2 LYS A 29 75.395 -16.114 8.468 1.00 0.00 H new ATOM 0 HG3 LYS A 29 76.155 -14.600 8.915 1.00 0.00 H new ATOM 0 HD2 LYS A 29 74.146 -13.648 9.682 1.00 0.00 H new ATOM 0 HD3 LYS A 29 73.153 -14.601 8.597 1.00 0.00 H new ATOM 0 HE2 LYS A 29 74.561 -16.435 10.369 1.00 0.00 H new ATOM 0 HE3 LYS A 29 73.808 -15.194 11.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 72.217 -16.963 10.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 71.731 -15.498 10.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 72.460 -16.700 9.142 1.00 0.00 H new ATOM 428 N SER A 30 72.664 -13.375 6.207 1.00 0.00 N ATOM 429 CA SER A 30 71.697 -12.449 5.553 1.00 0.00 C ATOM 430 C SER A 30 72.429 -11.245 4.967 1.00 0.00 C ATOM 431 O SER A 30 73.415 -10.777 5.508 1.00 0.00 O ATOM 432 CB SER A 30 70.760 -11.993 6.665 1.00 0.00 C ATOM 433 OG SER A 30 70.484 -13.086 7.530 1.00 0.00 O ATOM 0 H SER A 30 72.965 -13.102 7.143 1.00 0.00 H new ATOM 0 HA SER A 30 71.162 -12.935 4.737 1.00 0.00 H new ATOM 0 HB2 SER A 30 71.215 -11.177 7.226 1.00 0.00 H new ATOM 0 HB3 SER A 30 69.833 -11.609 6.239 1.00 0.00 H new ATOM 0 HG SER A 30 69.883 -12.793 8.246 1.00 0.00 H new ATOM 439 N VAL A 31 71.947 -10.723 3.877 1.00 0.00 N ATOM 440 CA VAL A 31 72.615 -9.540 3.281 1.00 0.00 C ATOM 441 C VAL A 31 72.390 -8.331 4.187 1.00 0.00 C ATOM 442 O VAL A 31 73.216 -7.445 4.277 1.00 0.00 O ATOM 443 CB VAL A 31 71.962 -9.332 1.914 1.00 0.00 C ATOM 444 CG1 VAL A 31 72.788 -8.327 1.109 1.00 0.00 C ATOM 445 CG2 VAL A 31 71.913 -10.661 1.154 1.00 0.00 C ATOM 0 H VAL A 31 71.125 -11.062 3.377 1.00 0.00 H new ATOM 0 HA VAL A 31 73.691 -9.677 3.175 1.00 0.00 H new ATOM 0 HB VAL A 31 70.948 -8.956 2.053 1.00 0.00 H new ATOM 0 HG11 VAL A 31 72.326 -8.175 0.133 1.00 0.00 H new ATOM 0 HG12 VAL A 31 72.828 -7.378 1.643 1.00 0.00 H new ATOM 0 HG13 VAL A 31 73.799 -8.711 0.976 1.00 0.00 H new ATOM 0 HG21 VAL A 31 71.447 -10.507 0.181 1.00 0.00 H new ATOM 0 HG22 VAL A 31 72.926 -11.038 1.015 1.00 0.00 H new ATOM 0 HG23 VAL A 31 71.331 -11.385 1.724 1.00 0.00 H new ATOM 455 N ALA A 32 71.282 -8.301 4.878 1.00 0.00 N ATOM 456 CA ALA A 32 71.013 -7.163 5.800 1.00 0.00 C ATOM 457 C ALA A 32 72.065 -7.160 6.908 1.00 0.00 C ATOM 458 O ALA A 32 72.542 -6.125 7.329 1.00 0.00 O ATOM 459 CB ALA A 32 69.622 -7.433 6.374 1.00 0.00 C ATOM 0 H ALA A 32 70.554 -9.014 4.843 1.00 0.00 H new ATOM 0 HA ALA A 32 71.055 -6.194 5.303 1.00 0.00 H new ATOM 0 HB1 ALA A 32 69.352 -6.634 7.065 1.00 0.00 H new ATOM 0 HB2 ALA A 32 68.895 -7.472 5.563 1.00 0.00 H new ATOM 0 HB3 ALA A 32 69.626 -8.386 6.904 1.00 0.00 H new ATOM 465 N GLU A 33 72.442 -8.322 7.365 1.00 0.00 N ATOM 466 CA GLU A 33 73.480 -8.405 8.429 1.00 0.00 C ATOM 467 C GLU A 33 74.820 -7.955 7.852 1.00 0.00 C ATOM 468 O GLU A 33 75.608 -7.307 8.512 1.00 0.00 O ATOM 469 CB GLU A 33 73.525 -9.882 8.827 1.00 0.00 C ATOM 470 CG GLU A 33 72.150 -10.316 9.338 1.00 0.00 C ATOM 471 CD GLU A 33 71.960 -9.825 10.774 1.00 0.00 C ATOM 472 OE1 GLU A 33 72.887 -9.236 11.306 1.00 0.00 O ATOM 473 OE2 GLU A 33 70.891 -10.045 11.319 1.00 0.00 O ATOM 0 H GLU A 33 72.075 -9.219 7.047 1.00 0.00 H new ATOM 0 HA GLU A 33 73.263 -7.771 9.288 1.00 0.00 H new ATOM 0 HB2 GLU A 33 73.815 -10.491 7.971 1.00 0.00 H new ATOM 0 HB3 GLU A 33 74.278 -10.038 9.600 1.00 0.00 H new ATOM 0 HG2 GLU A 33 71.367 -9.910 8.697 1.00 0.00 H new ATOM 0 HG3 GLU A 33 72.062 -11.402 9.299 1.00 0.00 H new ATOM 480 N LEU A 34 75.075 -8.277 6.611 1.00 0.00 N ATOM 481 CA LEU A 34 76.349 -7.849 5.980 1.00 0.00 C ATOM 482 C LEU A 34 76.393 -6.325 5.944 1.00 0.00 C ATOM 483 O LEU A 34 77.436 -5.714 6.063 1.00 0.00 O ATOM 484 CB LEU A 34 76.296 -8.422 4.564 1.00 0.00 C ATOM 485 CG LEU A 34 77.008 -9.774 4.530 1.00 0.00 C ATOM 486 CD1 LEU A 34 75.974 -10.894 4.395 1.00 0.00 C ATOM 487 CD2 LEU A 34 77.960 -9.815 3.334 1.00 0.00 C ATOM 0 H LEU A 34 74.453 -8.818 6.010 1.00 0.00 H new ATOM 0 HA LEU A 34 77.233 -8.193 6.517 1.00 0.00 H new ATOM 0 HB2 LEU A 34 75.260 -8.537 4.246 1.00 0.00 H new ATOM 0 HB3 LEU A 34 76.769 -7.733 3.864 1.00 0.00 H new ATOM 0 HG LEU A 34 77.572 -9.911 5.452 1.00 0.00 H new ATOM 0 HD11 LEU A 34 76.483 -11.858 4.371 1.00 0.00 H new ATOM 0 HD12 LEU A 34 75.293 -10.865 5.245 1.00 0.00 H new ATOM 0 HD13 LEU A 34 75.409 -10.759 3.473 1.00 0.00 H new ATOM 0 HD21 LEU A 34 78.469 -10.778 3.307 1.00 0.00 H new ATOM 0 HD22 LEU A 34 77.393 -9.678 2.413 1.00 0.00 H new ATOM 0 HD23 LEU A 34 78.697 -9.017 3.428 1.00 0.00 H new ATOM 499 N LYS A 35 75.253 -5.708 5.793 1.00 0.00 N ATOM 500 CA LYS A 35 75.205 -4.223 5.762 1.00 0.00 C ATOM 501 C LYS A 35 75.614 -3.675 7.130 1.00 0.00 C ATOM 502 O LYS A 35 76.470 -2.821 7.242 1.00 0.00 O ATOM 503 CB LYS A 35 73.747 -3.879 5.454 1.00 0.00 C ATOM 504 CG LYS A 35 73.562 -3.731 3.942 1.00 0.00 C ATOM 505 CD LYS A 35 73.614 -5.110 3.281 1.00 0.00 C ATOM 506 CE LYS A 35 74.021 -4.956 1.814 1.00 0.00 C ATOM 507 NZ LYS A 35 75.466 -4.597 1.852 1.00 0.00 N ATOM 0 H LYS A 35 74.351 -6.172 5.690 1.00 0.00 H new ATOM 0 HA LYS A 35 75.881 -3.793 5.023 1.00 0.00 H new ATOM 0 HB2 LYS A 35 73.090 -4.660 5.836 1.00 0.00 H new ATOM 0 HB3 LYS A 35 73.467 -2.953 5.957 1.00 0.00 H new ATOM 0 HG2 LYS A 35 72.608 -3.250 3.728 1.00 0.00 H new ATOM 0 HG3 LYS A 35 74.342 -3.090 3.531 1.00 0.00 H new ATOM 0 HD2 LYS A 35 74.327 -5.749 3.802 1.00 0.00 H new ATOM 0 HD3 LYS A 35 72.641 -5.596 3.351 1.00 0.00 H new ATOM 0 HE2 LYS A 35 73.858 -5.880 1.260 1.00 0.00 H new ATOM 0 HE3 LYS A 35 73.434 -4.181 1.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 75.610 -3.686 1.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 75.779 -4.519 2.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 76.020 -5.334 1.371 1.00 0.00 H new ATOM 521 N VAL A 36 75.012 -4.177 8.174 1.00 0.00 N ATOM 522 CA VAL A 36 75.366 -3.709 9.543 1.00 0.00 C ATOM 523 C VAL A 36 76.849 -3.945 9.803 1.00 0.00 C ATOM 524 O VAL A 36 77.501 -3.162 10.456 1.00 0.00 O ATOM 525 CB VAL A 36 74.527 -4.569 10.477 1.00 0.00 C ATOM 526 CG1 VAL A 36 74.607 -4.012 11.899 1.00 0.00 C ATOM 527 CG2 VAL A 36 73.071 -4.566 10.007 1.00 0.00 C ATOM 0 H VAL A 36 74.287 -4.894 8.137 1.00 0.00 H new ATOM 0 HA VAL A 36 75.177 -2.645 9.682 1.00 0.00 H new ATOM 0 HB VAL A 36 74.909 -5.590 10.467 1.00 0.00 H new ATOM 0 HG11 VAL A 36 74.005 -4.629 12.566 1.00 0.00 H new ATOM 0 HG12 VAL A 36 75.644 -4.019 12.235 1.00 0.00 H new ATOM 0 HG13 VAL A 36 74.229 -2.990 11.911 1.00 0.00 H new ATOM 0 HG21 VAL A 36 72.471 -5.182 10.677 1.00 0.00 H new ATOM 0 HG22 VAL A 36 72.689 -3.545 10.013 1.00 0.00 H new ATOM 0 HG23 VAL A 36 73.014 -4.968 8.996 1.00 0.00 H new ATOM 537 N ALA A 37 77.393 -5.015 9.293 1.00 0.00 N ATOM 538 CA ALA A 37 78.840 -5.276 9.514 1.00 0.00 C ATOM 539 C ALA A 37 79.644 -4.164 8.853 1.00 0.00 C ATOM 540 O ALA A 37 80.659 -3.728 9.358 1.00 0.00 O ATOM 541 CB ALA A 37 79.117 -6.623 8.844 1.00 0.00 C ATOM 0 H ALA A 37 76.901 -5.715 8.737 1.00 0.00 H new ATOM 0 HA ALA A 37 79.113 -5.302 10.569 1.00 0.00 H new ATOM 0 HB1 ALA A 37 80.169 -6.881 8.967 1.00 0.00 H new ATOM 0 HB2 ALA A 37 78.498 -7.393 9.305 1.00 0.00 H new ATOM 0 HB3 ALA A 37 78.882 -6.556 7.782 1.00 0.00 H new ATOM 547 N ILE A 38 79.180 -3.686 7.735 1.00 0.00 N ATOM 548 CA ILE A 38 79.897 -2.583 7.045 1.00 0.00 C ATOM 549 C ILE A 38 79.542 -1.256 7.717 1.00 0.00 C ATOM 550 O ILE A 38 80.315 -0.318 7.710 1.00 0.00 O ATOM 551 CB ILE A 38 79.389 -2.613 5.604 1.00 0.00 C ATOM 552 CG1 ILE A 38 79.777 -3.944 4.955 1.00 0.00 C ATOM 553 CG2 ILE A 38 80.019 -1.462 4.817 1.00 0.00 C ATOM 554 CD1 ILE A 38 78.795 -4.269 3.828 1.00 0.00 C ATOM 0 H ILE A 38 78.334 -4.013 7.269 1.00 0.00 H new ATOM 0 HA ILE A 38 80.981 -2.692 7.085 1.00 0.00 H new ATOM 0 HB ILE A 38 78.304 -2.507 5.599 1.00 0.00 H new ATOM 0 HG12 ILE A 38 80.792 -3.887 4.562 1.00 0.00 H new ATOM 0 HG13 ILE A 38 79.768 -4.740 5.700 1.00 0.00 H new ATOM 0 HG21 ILE A 38 79.657 -1.483 3.789 1.00 0.00 H new ATOM 0 HG22 ILE A 38 79.746 -0.513 5.279 1.00 0.00 H new ATOM 0 HG23 ILE A 38 81.104 -1.569 4.822 1.00 0.00 H new ATOM 0 HD11 ILE A 38 79.072 -5.217 3.366 1.00 0.00 H new ATOM 0 HD12 ILE A 38 77.786 -4.344 4.235 1.00 0.00 H new ATOM 0 HD13 ILE A 38 78.826 -3.478 3.079 1.00 0.00 H new ATOM 566 N SER A 39 78.382 -1.175 8.317 1.00 0.00 N ATOM 567 CA SER A 39 77.998 0.092 9.003 1.00 0.00 C ATOM 568 C SER A 39 78.689 0.152 10.363 1.00 0.00 C ATOM 569 O SER A 39 79.006 1.209 10.875 1.00 0.00 O ATOM 570 CB SER A 39 76.481 0.014 9.170 1.00 0.00 C ATOM 571 OG SER A 39 75.856 0.759 8.133 1.00 0.00 O ATOM 0 H SER A 39 77.691 -1.924 8.361 1.00 0.00 H new ATOM 0 HA SER A 39 78.290 0.982 8.445 1.00 0.00 H new ATOM 0 HB2 SER A 39 76.153 -1.025 9.136 1.00 0.00 H new ATOM 0 HB3 SER A 39 76.190 0.409 10.143 1.00 0.00 H new ATOM 0 HG SER A 39 74.883 0.710 8.236 1.00 0.00 H new ATOM 577 N GLU A 40 78.940 -0.988 10.940 1.00 0.00 N ATOM 578 CA GLU A 40 79.621 -1.030 12.258 1.00 0.00 C ATOM 579 C GLU A 40 81.122 -0.871 12.056 1.00 0.00 C ATOM 580 O GLU A 40 81.800 -0.208 12.816 1.00 0.00 O ATOM 581 CB GLU A 40 79.292 -2.408 12.812 1.00 0.00 C ATOM 582 CG GLU A 40 78.983 -2.301 14.306 1.00 0.00 C ATOM 583 CD GLU A 40 80.284 -2.394 15.105 1.00 0.00 C ATOM 584 OE1 GLU A 40 81.167 -3.120 14.680 1.00 0.00 O ATOM 585 OE2 GLU A 40 80.375 -1.737 16.129 1.00 0.00 O ATOM 0 H GLU A 40 78.700 -1.899 10.550 1.00 0.00 H new ATOM 0 HA GLU A 40 79.302 -0.236 12.933 1.00 0.00 H new ATOM 0 HB2 GLU A 40 78.437 -2.829 12.283 1.00 0.00 H new ATOM 0 HB3 GLU A 40 80.131 -3.085 12.652 1.00 0.00 H new ATOM 0 HG2 GLU A 40 78.481 -1.357 14.517 1.00 0.00 H new ATOM 0 HG3 GLU A 40 78.302 -3.098 14.605 1.00 0.00 H new ATOM 592 N LEU A 41 81.642 -1.464 11.021 1.00 0.00 N ATOM 593 CA LEU A 41 83.097 -1.338 10.748 1.00 0.00 C ATOM 594 C LEU A 41 83.405 0.101 10.352 1.00 0.00 C ATOM 595 O LEU A 41 84.463 0.626 10.638 1.00 0.00 O ATOM 596 CB LEU A 41 83.377 -2.293 9.587 1.00 0.00 C ATOM 597 CG LEU A 41 84.768 -2.906 9.758 1.00 0.00 C ATOM 598 CD1 LEU A 41 84.746 -3.910 10.911 1.00 0.00 C ATOM 599 CD2 LEU A 41 85.172 -3.622 8.468 1.00 0.00 C ATOM 0 H LEU A 41 81.121 -2.031 10.352 1.00 0.00 H new ATOM 0 HA LEU A 41 83.713 -1.582 11.614 1.00 0.00 H new ATOM 0 HB2 LEU A 41 82.622 -3.079 9.558 1.00 0.00 H new ATOM 0 HB3 LEU A 41 83.317 -1.758 8.639 1.00 0.00 H new ATOM 0 HG LEU A 41 85.487 -2.117 9.977 1.00 0.00 H new ATOM 0 HD11 LEU A 41 85.737 -4.346 11.032 1.00 0.00 H new ATOM 0 HD12 LEU A 41 84.458 -3.401 11.831 1.00 0.00 H new ATOM 0 HD13 LEU A 41 84.026 -4.699 10.693 1.00 0.00 H new ATOM 0 HD21 LEU A 41 86.163 -4.059 8.589 1.00 0.00 H new ATOM 0 HD22 LEU A 41 84.452 -4.411 8.249 1.00 0.00 H new ATOM 0 HD23 LEU A 41 85.189 -2.907 7.645 1.00 0.00 H new ATOM 611 N PHE A 42 82.476 0.749 9.708 1.00 0.00 N ATOM 612 CA PHE A 42 82.693 2.156 9.307 1.00 0.00 C ATOM 613 C PHE A 42 82.386 3.062 10.497 1.00 0.00 C ATOM 614 O PHE A 42 82.867 4.173 10.591 1.00 0.00 O ATOM 615 CB PHE A 42 81.694 2.386 8.181 1.00 0.00 C ATOM 616 CG PHE A 42 82.220 1.793 6.894 1.00 0.00 C ATOM 617 CD1 PHE A 42 82.609 0.447 6.847 1.00 0.00 C ATOM 618 CD2 PHE A 42 82.315 2.587 5.745 1.00 0.00 C ATOM 619 CE1 PHE A 42 83.093 -0.101 5.654 1.00 0.00 C ATOM 620 CE2 PHE A 42 82.799 2.038 4.551 1.00 0.00 C ATOM 621 CZ PHE A 42 83.188 0.694 4.506 1.00 0.00 C ATOM 0 H PHE A 42 81.572 0.358 9.443 1.00 0.00 H new ATOM 0 HA PHE A 42 83.715 2.367 8.990 1.00 0.00 H new ATOM 0 HB2 PHE A 42 80.736 1.932 8.435 1.00 0.00 H new ATOM 0 HB3 PHE A 42 81.517 3.454 8.053 1.00 0.00 H new ATOM 0 HD1 PHE A 42 82.535 -0.167 7.732 1.00 0.00 H new ATOM 0 HD2 PHE A 42 82.015 3.624 5.779 1.00 0.00 H new ATOM 0 HE1 PHE A 42 83.393 -1.138 5.619 1.00 0.00 H new ATOM 0 HE2 PHE A 42 82.872 2.651 3.665 1.00 0.00 H new ATOM 0 HZ PHE A 42 83.561 0.271 3.585 1.00 0.00 H new ATOM 631 N ALA A 43 81.589 2.583 11.417 1.00 0.00 N ATOM 632 CA ALA A 43 81.253 3.406 12.613 1.00 0.00 C ATOM 633 C ALA A 43 82.464 3.464 13.545 1.00 0.00 C ATOM 634 O ALA A 43 82.711 4.455 14.202 1.00 0.00 O ATOM 635 CB ALA A 43 80.089 2.677 13.285 1.00 0.00 C ATOM 0 H ALA A 43 81.158 1.659 11.390 1.00 0.00 H new ATOM 0 HA ALA A 43 80.988 4.432 12.358 1.00 0.00 H new ATOM 0 HB1 ALA A 43 79.784 3.224 14.177 1.00 0.00 H new ATOM 0 HB2 ALA A 43 79.250 2.615 12.592 1.00 0.00 H new ATOM 0 HB3 ALA A 43 80.403 1.672 13.565 1.00 0.00 H new ATOM 641 N LYS A 44 83.226 2.406 13.593 1.00 0.00 N ATOM 642 CA LYS A 44 84.433 2.392 14.466 1.00 0.00 C ATOM 643 C LYS A 44 85.634 2.923 13.683 1.00 0.00 C ATOM 644 O LYS A 44 86.613 3.367 14.249 1.00 0.00 O ATOM 645 CB LYS A 44 84.637 0.923 14.841 1.00 0.00 C ATOM 646 CG LYS A 44 84.206 0.701 16.292 1.00 0.00 C ATOM 647 CD LYS A 44 84.397 -0.771 16.661 1.00 0.00 C ATOM 648 CE LYS A 44 83.423 -1.149 17.779 1.00 0.00 C ATOM 649 NZ LYS A 44 84.080 -0.688 19.034 1.00 0.00 N ATOM 0 H LYS A 44 83.064 1.549 13.064 1.00 0.00 H new ATOM 0 HA LYS A 44 84.320 3.018 15.351 1.00 0.00 H new ATOM 0 HB2 LYS A 44 84.057 0.283 14.176 1.00 0.00 H new ATOM 0 HB3 LYS A 44 85.684 0.647 14.715 1.00 0.00 H new ATOM 0 HG2 LYS A 44 84.794 1.333 16.958 1.00 0.00 H new ATOM 0 HG3 LYS A 44 83.162 0.987 16.420 1.00 0.00 H new ATOM 0 HD2 LYS A 44 84.226 -1.401 15.788 1.00 0.00 H new ATOM 0 HD3 LYS A 44 85.423 -0.945 16.984 1.00 0.00 H new ATOM 0 HE2 LYS A 44 82.456 -0.667 17.640 1.00 0.00 H new ATOM 0 HE3 LYS A 44 83.243 -2.224 17.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 83.472 -0.912 19.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 84.996 -1.169 19.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 84.232 0.340 18.989 1.00 0.00 H new ATOM 663 N ASN A 45 85.559 2.884 12.380 1.00 0.00 N ATOM 664 CA ASN A 45 86.684 3.390 11.549 1.00 0.00 C ATOM 665 C ASN A 45 86.609 4.914 11.451 1.00 0.00 C ATOM 666 O ASN A 45 87.583 5.566 11.133 1.00 0.00 O ATOM 667 CB ASN A 45 86.472 2.752 10.178 1.00 0.00 C ATOM 668 CG ASN A 45 87.331 1.493 10.064 1.00 0.00 C ATOM 669 OD1 ASN A 45 88.028 1.303 9.087 1.00 0.00 O ATOM 670 ND2 ASN A 45 87.310 0.618 11.031 1.00 0.00 N ATOM 0 H ASN A 45 84.763 2.522 11.855 1.00 0.00 H new ATOM 0 HA ASN A 45 87.660 3.143 11.966 1.00 0.00 H new ATOM 0 HB2 ASN A 45 85.420 2.501 10.040 1.00 0.00 H new ATOM 0 HB3 ASN A 45 86.737 3.458 9.391 1.00 0.00 H new ATOM 0 HD21 ASN A 45 87.879 -0.226 10.967 1.00 0.00 H new ATOM 0 HD22 ASN A 45 86.725 0.778 11.851 1.00 0.00 H new ATOM 677 N ASP A 46 85.441 5.467 11.704 1.00 0.00 N ATOM 678 CA ASP A 46 85.224 6.949 11.629 1.00 0.00 C ATOM 679 C ASP A 46 84.766 7.305 10.226 1.00 0.00 C ATOM 680 O ASP A 46 85.007 8.386 9.726 1.00 0.00 O ATOM 681 CB ASP A 46 86.553 7.633 11.971 1.00 0.00 C ATOM 682 CG ASP A 46 86.279 9.034 12.522 1.00 0.00 C ATOM 683 OD1 ASP A 46 85.130 9.445 12.496 1.00 0.00 O ATOM 684 OD2 ASP A 46 87.222 9.671 12.962 1.00 0.00 O ATOM 0 H ASP A 46 84.610 4.937 11.966 1.00 0.00 H new ATOM 0 HA ASP A 46 84.459 7.281 12.331 1.00 0.00 H new ATOM 0 HB2 ASP A 46 87.100 7.042 12.706 1.00 0.00 H new ATOM 0 HB3 ASP A 46 87.181 7.697 11.082 1.00 0.00 H new ATOM 689 N LEU A 47 84.090 6.391 9.597 1.00 0.00 N ATOM 690 CA LEU A 47 83.585 6.643 8.228 1.00 0.00 C ATOM 691 C LEU A 47 82.252 7.391 8.314 1.00 0.00 C ATOM 692 O LEU A 47 82.080 8.278 9.127 1.00 0.00 O ATOM 693 CB LEU A 47 83.407 5.246 7.620 1.00 0.00 C ATOM 694 CG LEU A 47 84.011 5.218 6.215 1.00 0.00 C ATOM 695 CD1 LEU A 47 83.197 6.122 5.288 1.00 0.00 C ATOM 696 CD2 LEU A 47 85.456 5.718 6.273 1.00 0.00 C ATOM 0 H LEU A 47 83.864 5.472 9.978 1.00 0.00 H new ATOM 0 HA LEU A 47 84.253 7.256 7.623 1.00 0.00 H new ATOM 0 HB2 LEU A 47 83.891 4.500 8.250 1.00 0.00 H new ATOM 0 HB3 LEU A 47 82.349 4.989 7.577 1.00 0.00 H new ATOM 0 HG LEU A 47 83.992 4.197 5.833 1.00 0.00 H new ATOM 0 HD11 LEU A 47 83.629 6.101 4.288 1.00 0.00 H new ATOM 0 HD12 LEU A 47 82.167 5.767 5.246 1.00 0.00 H new ATOM 0 HD13 LEU A 47 83.214 7.143 5.669 1.00 0.00 H new ATOM 0 HD21 LEU A 47 85.888 5.699 5.272 1.00 0.00 H new ATOM 0 HD22 LEU A 47 85.473 6.738 6.656 1.00 0.00 H new ATOM 0 HD23 LEU A 47 86.038 5.074 6.932 1.00 0.00 H new ATOM 708 N ALA A 48 81.312 7.040 7.494 1.00 0.00 N ATOM 709 CA ALA A 48 79.990 7.723 7.531 1.00 0.00 C ATOM 710 C ALA A 48 79.048 7.079 6.519 1.00 0.00 C ATOM 711 O ALA A 48 78.539 7.723 5.623 1.00 0.00 O ATOM 712 CB ALA A 48 80.276 9.177 7.159 1.00 0.00 C ATOM 0 H ALA A 48 81.399 6.304 6.793 1.00 0.00 H new ATOM 0 HA ALA A 48 79.511 7.649 8.507 1.00 0.00 H new ATOM 0 HB1 ALA A 48 79.345 9.744 7.165 1.00 0.00 H new ATOM 0 HB2 ALA A 48 80.969 9.608 7.882 1.00 0.00 H new ATOM 0 HB3 ALA A 48 80.719 9.218 6.164 1.00 0.00 H new ATOM 718 N VAL A 49 78.817 5.808 6.662 1.00 0.00 N ATOM 719 CA VAL A 49 77.919 5.100 5.728 1.00 0.00 C ATOM 720 C VAL A 49 76.530 5.718 5.775 1.00 0.00 C ATOM 721 O VAL A 49 75.859 5.716 6.788 1.00 0.00 O ATOM 722 CB VAL A 49 77.894 3.661 6.229 1.00 0.00 C ATOM 723 CG1 VAL A 49 79.236 2.990 5.931 1.00 0.00 C ATOM 724 CG2 VAL A 49 77.641 3.650 7.739 1.00 0.00 C ATOM 0 H VAL A 49 79.219 5.226 7.397 1.00 0.00 H new ATOM 0 HA VAL A 49 78.254 5.161 4.693 1.00 0.00 H new ATOM 0 HB VAL A 49 77.097 3.116 5.723 1.00 0.00 H new ATOM 0 HG11 VAL A 49 79.216 1.961 6.290 1.00 0.00 H new ATOM 0 HG12 VAL A 49 79.415 2.996 4.856 1.00 0.00 H new ATOM 0 HG13 VAL A 49 80.035 3.535 6.435 1.00 0.00 H new ATOM 0 HG21 VAL A 49 77.623 2.621 8.097 1.00 0.00 H new ATOM 0 HG22 VAL A 49 78.437 4.197 8.245 1.00 0.00 H new ATOM 0 HG23 VAL A 49 76.683 4.125 7.951 1.00 0.00 H new ATOM 734 N VAL A 50 76.110 6.256 4.678 1.00 0.00 N ATOM 735 CA VAL A 50 74.769 6.903 4.614 1.00 0.00 C ATOM 736 C VAL A 50 73.730 5.917 4.076 1.00 0.00 C ATOM 737 O VAL A 50 72.581 5.939 4.470 1.00 0.00 O ATOM 738 CB VAL A 50 74.948 8.081 3.654 1.00 0.00 C ATOM 739 CG1 VAL A 50 73.830 9.100 3.882 1.00 0.00 C ATOM 740 CG2 VAL A 50 76.303 8.750 3.911 1.00 0.00 C ATOM 0 H VAL A 50 76.640 6.279 3.807 1.00 0.00 H new ATOM 0 HA VAL A 50 74.416 7.226 5.593 1.00 0.00 H new ATOM 0 HB VAL A 50 74.909 7.719 2.627 1.00 0.00 H new ATOM 0 HG11 VAL A 50 73.958 9.939 3.198 1.00 0.00 H new ATOM 0 HG12 VAL A 50 72.865 8.628 3.701 1.00 0.00 H new ATOM 0 HG13 VAL A 50 73.870 9.460 4.910 1.00 0.00 H new ATOM 0 HG21 VAL A 50 76.430 9.589 3.227 1.00 0.00 H new ATOM 0 HG22 VAL A 50 76.342 9.111 4.939 1.00 0.00 H new ATOM 0 HG23 VAL A 50 77.102 8.027 3.750 1.00 0.00 H new ATOM 750 N ASP A 51 74.120 5.051 3.181 1.00 0.00 N ATOM 751 CA ASP A 51 73.141 4.070 2.629 1.00 0.00 C ATOM 752 C ASP A 51 73.819 2.726 2.355 1.00 0.00 C ATOM 753 O ASP A 51 75.007 2.650 2.116 1.00 0.00 O ATOM 754 CB ASP A 51 72.645 4.694 1.325 1.00 0.00 C ATOM 755 CG ASP A 51 71.204 4.251 1.061 1.00 0.00 C ATOM 756 OD1 ASP A 51 70.701 3.451 1.832 1.00 0.00 O ATOM 757 OD2 ASP A 51 70.629 4.721 0.093 1.00 0.00 O ATOM 0 H ASP A 51 75.067 4.980 2.810 1.00 0.00 H new ATOM 0 HA ASP A 51 72.326 3.873 3.326 1.00 0.00 H new ATOM 0 HB2 ASP A 51 72.697 5.781 1.387 1.00 0.00 H new ATOM 0 HB3 ASP A 51 73.287 4.391 0.498 1.00 0.00 H new ATOM 762 N VAL A 52 73.064 1.663 2.383 1.00 0.00 N ATOM 763 CA VAL A 52 73.644 0.311 2.117 1.00 0.00 C ATOM 764 C VAL A 52 72.533 -0.619 1.624 1.00 0.00 C ATOM 765 O VAL A 52 71.755 -1.134 2.403 1.00 0.00 O ATOM 766 CB VAL A 52 74.210 -0.200 3.454 1.00 0.00 C ATOM 767 CG1 VAL A 52 75.430 -1.080 3.179 1.00 0.00 C ATOM 768 CG2 VAL A 52 74.636 0.971 4.349 1.00 0.00 C ATOM 0 H VAL A 52 72.063 1.670 2.580 1.00 0.00 H new ATOM 0 HA VAL A 52 74.426 0.348 1.358 1.00 0.00 H new ATOM 0 HB VAL A 52 73.434 -0.770 3.964 1.00 0.00 H new ATOM 0 HG11 VAL A 52 75.835 -1.445 4.123 1.00 0.00 H new ATOM 0 HG12 VAL A 52 75.136 -1.927 2.559 1.00 0.00 H new ATOM 0 HG13 VAL A 52 76.190 -0.496 2.659 1.00 0.00 H new ATOM 0 HG21 VAL A 52 75.033 0.586 5.288 1.00 0.00 H new ATOM 0 HG22 VAL A 52 75.405 1.555 3.843 1.00 0.00 H new ATOM 0 HG23 VAL A 52 73.774 1.606 4.553 1.00 0.00 H new ATOM 778 N ARG A 53 72.439 -0.829 0.339 1.00 0.00 N ATOM 779 CA ARG A 53 71.363 -1.715 -0.188 1.00 0.00 C ATOM 780 C ARG A 53 71.922 -3.092 -0.544 1.00 0.00 C ATOM 781 O ARG A 53 73.101 -3.253 -0.789 1.00 0.00 O ATOM 782 CB ARG A 53 70.840 -1.009 -1.438 1.00 0.00 C ATOM 783 CG ARG A 53 69.584 -1.724 -1.938 1.00 0.00 C ATOM 784 CD ARG A 53 68.855 -0.833 -2.947 1.00 0.00 C ATOM 785 NE ARG A 53 68.910 -1.583 -4.232 1.00 0.00 N ATOM 786 CZ ARG A 53 69.188 -0.957 -5.342 1.00 0.00 C ATOM 787 NH1 ARG A 53 68.767 0.265 -5.526 1.00 0.00 N ATOM 788 NH2 ARG A 53 69.887 -1.552 -6.270 1.00 0.00 N ATOM 0 H ARG A 53 73.058 -0.427 -0.365 1.00 0.00 H new ATOM 0 HA ARG A 53 70.576 -1.879 0.548 1.00 0.00 H new ATOM 0 HB2 ARG A 53 70.613 0.033 -1.212 1.00 0.00 H new ATOM 0 HB3 ARG A 53 71.605 -1.008 -2.215 1.00 0.00 H new ATOM 0 HG2 ARG A 53 69.854 -2.672 -2.403 1.00 0.00 H new ATOM 0 HG3 ARG A 53 68.927 -1.955 -1.100 1.00 0.00 H new ATOM 0 HD2 ARG A 53 67.825 -0.650 -2.640 1.00 0.00 H new ATOM 0 HD3 ARG A 53 69.339 0.140 -3.037 1.00 0.00 H new ATOM 0 HE ARG A 53 68.730 -2.587 -4.244 1.00 0.00 H new ATOM 0 HH11 ARG A 53 68.220 0.731 -4.802 1.00 0.00 H new ATOM 0 HH12 ARG A 53 68.985 0.754 -6.394 1.00 0.00 H new ATOM 0 HH21 ARG A 53 70.216 -2.507 -6.127 1.00 0.00 H new ATOM 0 HH22 ARG A 53 70.104 -1.062 -7.138 1.00 0.00 H new ATOM 802 N THR A 54 71.081 -4.087 -0.568 1.00 0.00 N ATOM 803 CA THR A 54 71.547 -5.454 -0.901 1.00 0.00 C ATOM 804 C THR A 54 71.442 -5.699 -2.409 1.00 0.00 C ATOM 805 O THR A 54 70.645 -5.088 -3.094 1.00 0.00 O ATOM 806 CB THR A 54 70.591 -6.367 -0.139 1.00 0.00 C ATOM 807 OG1 THR A 54 69.253 -6.051 -0.496 1.00 0.00 O ATOM 808 CG2 THR A 54 70.780 -6.169 1.365 1.00 0.00 C ATOM 0 H THR A 54 70.084 -4.008 -0.369 1.00 0.00 H new ATOM 0 HA THR A 54 72.590 -5.623 -0.632 1.00 0.00 H new ATOM 0 HB THR A 54 70.801 -7.406 -0.394 1.00 0.00 H new ATOM 0 HG1 THR A 54 68.637 -6.638 -0.009 1.00 0.00 H new ATOM 0 HG21 THR A 54 70.096 -6.822 1.907 1.00 0.00 H new ATOM 0 HG22 THR A 54 71.807 -6.412 1.638 1.00 0.00 H new ATOM 0 HG23 THR A 54 70.572 -5.131 1.624 1.00 0.00 H new ATOM 816 N GLY A 55 72.239 -6.590 -2.929 1.00 0.00 N ATOM 817 CA GLY A 55 72.189 -6.881 -4.390 1.00 0.00 C ATOM 818 C GLY A 55 72.026 -8.386 -4.600 1.00 0.00 C ATOM 819 O GLY A 55 72.765 -9.184 -4.049 1.00 0.00 O ATOM 0 H GLY A 55 72.925 -7.131 -2.404 1.00 0.00 H new ATOM 0 HA2 GLY A 55 71.359 -6.346 -4.851 1.00 0.00 H new ATOM 0 HA3 GLY A 55 73.101 -6.531 -4.874 1.00 0.00 H new ATOM 823 N THR A 56 71.054 -8.774 -5.386 1.00 0.00 N ATOM 824 CA THR A 56 70.809 -10.225 -5.639 1.00 0.00 C ATOM 825 C THR A 56 70.484 -10.935 -4.323 1.00 0.00 C ATOM 826 O THR A 56 70.601 -10.363 -3.258 1.00 0.00 O ATOM 827 CB THR A 56 72.106 -10.765 -6.251 1.00 0.00 C ATOM 828 OG1 THR A 56 72.183 -10.368 -7.613 1.00 0.00 O ATOM 829 CG2 THR A 56 72.116 -12.293 -6.166 1.00 0.00 C ATOM 0 H THR A 56 70.415 -8.141 -5.867 1.00 0.00 H new ATOM 0 HA THR A 56 69.963 -10.390 -6.307 1.00 0.00 H new ATOM 0 HB THR A 56 72.960 -10.366 -5.703 1.00 0.00 H new ATOM 0 HG1 THR A 56 73.121 -10.231 -7.861 1.00 0.00 H new ATOM 0 HG21 THR A 56 73.039 -12.676 -6.602 1.00 0.00 H new ATOM 0 HG22 THR A 56 72.053 -12.600 -5.122 1.00 0.00 H new ATOM 0 HG23 THR A 56 71.263 -12.693 -6.714 1.00 0.00 H new ATOM 837 N ASN A 57 70.067 -12.173 -4.391 1.00 0.00 N ATOM 838 CA ASN A 57 69.724 -12.922 -3.144 1.00 0.00 C ATOM 839 C ASN A 57 70.710 -12.577 -2.026 1.00 0.00 C ATOM 840 O ASN A 57 70.331 -12.378 -0.889 1.00 0.00 O ATOM 841 CB ASN A 57 69.841 -14.398 -3.527 1.00 0.00 C ATOM 842 CG ASN A 57 68.666 -14.787 -4.426 1.00 0.00 C ATOM 843 OD1 ASN A 57 67.523 -14.700 -4.023 1.00 0.00 O ATOM 844 ND2 ASN A 57 68.901 -15.217 -5.636 1.00 0.00 N ATOM 0 H ASN A 57 69.949 -12.699 -5.257 1.00 0.00 H new ATOM 0 HA ASN A 57 68.730 -12.673 -2.774 1.00 0.00 H new ATOM 0 HB2 ASN A 57 70.783 -14.577 -4.045 1.00 0.00 H new ATOM 0 HB3 ASN A 57 69.847 -15.018 -2.630 1.00 0.00 H new ATOM 0 HD21 ASN A 57 68.125 -15.480 -6.243 1.00 0.00 H new ATOM 0 HD22 ASN A 57 69.861 -15.290 -5.974 1.00 0.00 H new ATOM 851 N ARG A 58 71.972 -12.498 -2.345 1.00 0.00 N ATOM 852 CA ARG A 58 72.992 -12.159 -1.311 1.00 0.00 C ATOM 853 C ARG A 58 74.395 -12.315 -1.897 1.00 0.00 C ATOM 854 O ARG A 58 75.245 -12.974 -1.332 1.00 0.00 O ATOM 855 CB ARG A 58 72.771 -13.157 -0.174 1.00 0.00 C ATOM 856 CG ARG A 58 72.564 -14.562 -0.747 1.00 0.00 C ATOM 857 CD ARG A 58 71.195 -15.092 -0.312 1.00 0.00 C ATOM 858 NE ARG A 58 71.246 -16.557 -0.577 1.00 0.00 N ATOM 859 CZ ARG A 58 70.295 -17.333 -0.133 1.00 0.00 C ATOM 860 NH1 ARG A 58 69.660 -17.027 0.965 1.00 0.00 N ATOM 861 NH2 ARG A 58 69.979 -18.417 -0.789 1.00 0.00 N ATOM 0 H ARG A 58 72.343 -12.654 -3.282 1.00 0.00 H new ATOM 0 HA ARG A 58 72.898 -11.131 -0.962 1.00 0.00 H new ATOM 0 HB2 ARG A 58 73.629 -13.152 0.498 1.00 0.00 H new ATOM 0 HB3 ARG A 58 71.902 -12.864 0.416 1.00 0.00 H new ATOM 0 HG2 ARG A 58 72.627 -14.536 -1.835 1.00 0.00 H new ATOM 0 HG3 ARG A 58 73.352 -15.229 -0.398 1.00 0.00 H new ATOM 0 HD2 ARG A 58 71.010 -14.888 0.743 1.00 0.00 H new ATOM 0 HD3 ARG A 58 70.391 -14.617 -0.874 1.00 0.00 H new ATOM 0 HE ARG A 58 72.023 -16.953 -1.105 1.00 0.00 H new ATOM 0 HH11 ARG A 58 69.907 -16.180 1.478 1.00 0.00 H new ATOM 0 HH12 ARG A 58 68.917 -17.634 1.311 1.00 0.00 H new ATOM 0 HH21 ARG A 58 70.475 -18.657 -1.647 1.00 0.00 H new ATOM 0 HH22 ARG A 58 69.236 -19.024 -0.443 1.00 0.00 H new ATOM 875 N LYS A 59 74.643 -11.716 -3.028 1.00 0.00 N ATOM 876 CA LYS A 59 75.990 -11.836 -3.649 1.00 0.00 C ATOM 877 C LYS A 59 76.729 -10.498 -3.588 1.00 0.00 C ATOM 878 O LYS A 59 77.940 -10.455 -3.494 1.00 0.00 O ATOM 879 CB LYS A 59 75.727 -12.239 -5.100 1.00 0.00 C ATOM 880 CG LYS A 59 76.460 -13.546 -5.408 1.00 0.00 C ATOM 881 CD LYS A 59 75.750 -14.707 -4.710 1.00 0.00 C ATOM 882 CE LYS A 59 75.413 -15.791 -5.736 1.00 0.00 C ATOM 883 NZ LYS A 59 73.935 -15.957 -5.648 1.00 0.00 N ATOM 0 H LYS A 59 73.972 -11.150 -3.548 1.00 0.00 H new ATOM 0 HA LYS A 59 76.615 -12.564 -3.131 1.00 0.00 H new ATOM 0 HB2 LYS A 59 74.657 -12.362 -5.266 1.00 0.00 H new ATOM 0 HB3 LYS A 59 76.066 -11.452 -5.774 1.00 0.00 H new ATOM 0 HG2 LYS A 59 76.485 -13.716 -6.484 1.00 0.00 H new ATOM 0 HG3 LYS A 59 77.495 -13.483 -5.071 1.00 0.00 H new ATOM 0 HD2 LYS A 59 76.387 -15.118 -3.927 1.00 0.00 H new ATOM 0 HD3 LYS A 59 74.839 -14.353 -4.227 1.00 0.00 H new ATOM 0 HE2 LYS A 59 75.718 -15.494 -6.739 1.00 0.00 H new ATOM 0 HE3 LYS A 59 75.929 -16.724 -5.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 73.627 -16.685 -6.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 73.675 -16.247 -4.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 73.470 -15.055 -5.876 1.00 0.00 H new ATOM 897 N PHE A 60 76.019 -9.404 -3.640 1.00 0.00 N ATOM 898 CA PHE A 60 76.706 -8.080 -3.584 1.00 0.00 C ATOM 899 C PHE A 60 75.727 -6.989 -3.151 1.00 0.00 C ATOM 900 O PHE A 60 74.548 -7.064 -3.417 1.00 0.00 O ATOM 901 CB PHE A 60 77.203 -7.827 -5.008 1.00 0.00 C ATOM 902 CG PHE A 60 76.094 -8.104 -5.994 1.00 0.00 C ATOM 903 CD1 PHE A 60 74.985 -7.253 -6.059 1.00 0.00 C ATOM 904 CD2 PHE A 60 76.178 -9.210 -6.848 1.00 0.00 C ATOM 905 CE1 PHE A 60 73.960 -7.507 -6.978 1.00 0.00 C ATOM 906 CE2 PHE A 60 75.153 -9.465 -7.766 1.00 0.00 C ATOM 907 CZ PHE A 60 74.044 -8.613 -7.831 1.00 0.00 C ATOM 0 H PHE A 60 75.003 -9.368 -3.718 1.00 0.00 H new ATOM 0 HA PHE A 60 77.523 -8.072 -2.862 1.00 0.00 H new ATOM 0 HB2 PHE A 60 77.541 -6.795 -5.107 1.00 0.00 H new ATOM 0 HB3 PHE A 60 78.060 -8.465 -5.222 1.00 0.00 H new ATOM 0 HD1 PHE A 60 74.920 -6.400 -5.400 1.00 0.00 H new ATOM 0 HD2 PHE A 60 77.034 -9.867 -6.798 1.00 0.00 H new ATOM 0 HE1 PHE A 60 73.105 -6.850 -7.029 1.00 0.00 H new ATOM 0 HE2 PHE A 60 75.217 -10.319 -8.424 1.00 0.00 H new ATOM 0 HZ PHE A 60 73.253 -8.809 -8.540 1.00 0.00 H new ATOM 917 N GLY A 61 76.207 -5.977 -2.480 1.00 0.00 N ATOM 918 CA GLY A 61 75.298 -4.886 -2.026 1.00 0.00 C ATOM 919 C GLY A 61 75.911 -3.526 -2.363 1.00 0.00 C ATOM 920 O GLY A 61 77.084 -3.419 -2.660 1.00 0.00 O ATOM 0 H GLY A 61 77.188 -5.859 -2.227 1.00 0.00 H new ATOM 0 HA2 GLY A 61 74.326 -4.986 -2.508 1.00 0.00 H new ATOM 0 HA3 GLY A 61 75.130 -4.963 -0.952 1.00 0.00 H new ATOM 924 N TYR A 62 75.125 -2.485 -2.314 1.00 0.00 N ATOM 925 CA TYR A 62 75.662 -1.128 -2.627 1.00 0.00 C ATOM 926 C TYR A 62 75.710 -0.282 -1.364 1.00 0.00 C ATOM 927 O TYR A 62 75.090 -0.596 -0.368 1.00 0.00 O ATOM 928 CB TYR A 62 74.690 -0.530 -3.644 1.00 0.00 C ATOM 929 CG TYR A 62 74.645 -1.402 -4.876 1.00 0.00 C ATOM 930 CD1 TYR A 62 74.056 -2.671 -4.815 1.00 0.00 C ATOM 931 CD2 TYR A 62 75.190 -0.940 -6.080 1.00 0.00 C ATOM 932 CE1 TYR A 62 74.013 -3.478 -5.958 1.00 0.00 C ATOM 933 CE2 TYR A 62 75.147 -1.748 -7.223 1.00 0.00 C ATOM 934 CZ TYR A 62 74.558 -3.016 -7.162 1.00 0.00 C ATOM 935 OH TYR A 62 74.515 -3.812 -8.289 1.00 0.00 O ATOM 0 H TYR A 62 74.135 -2.514 -2.071 1.00 0.00 H new ATOM 0 HA TYR A 62 76.677 -1.168 -3.022 1.00 0.00 H new ATOM 0 HB2 TYR A 62 73.695 -0.449 -3.207 1.00 0.00 H new ATOM 0 HB3 TYR A 62 75.003 0.479 -3.912 1.00 0.00 H new ATOM 0 HD1 TYR A 62 73.635 -3.027 -3.886 1.00 0.00 H new ATOM 0 HD2 TYR A 62 75.643 0.039 -6.127 1.00 0.00 H new ATOM 0 HE1 TYR A 62 73.559 -4.457 -5.911 1.00 0.00 H new ATOM 0 HE2 TYR A 62 75.568 -1.393 -8.152 1.00 0.00 H new ATOM 0 HH TYR A 62 74.936 -3.341 -9.038 1.00 0.00 H new ATOM 945 N VAL A 63 76.464 0.780 -1.389 1.00 0.00 N ATOM 946 CA VAL A 63 76.572 1.630 -0.176 1.00 0.00 C ATOM 947 C VAL A 63 76.863 3.085 -0.557 1.00 0.00 C ATOM 948 O VAL A 63 77.621 3.362 -1.465 1.00 0.00 O ATOM 949 CB VAL A 63 77.750 1.041 0.601 1.00 0.00 C ATOM 950 CG1 VAL A 63 77.699 1.529 2.040 1.00 0.00 C ATOM 951 CG2 VAL A 63 77.679 -0.490 0.594 1.00 0.00 C ATOM 0 H VAL A 63 77.007 1.094 -2.193 1.00 0.00 H new ATOM 0 HA VAL A 63 75.649 1.638 0.404 1.00 0.00 H new ATOM 0 HB VAL A 63 78.678 1.361 0.127 1.00 0.00 H new ATOM 0 HG11 VAL A 63 78.538 1.110 2.596 1.00 0.00 H new ATOM 0 HG12 VAL A 63 77.759 2.617 2.057 1.00 0.00 H new ATOM 0 HG13 VAL A 63 76.764 1.210 2.500 1.00 0.00 H new ATOM 0 HG21 VAL A 63 78.524 -0.896 1.151 1.00 0.00 H new ATOM 0 HG22 VAL A 63 76.748 -0.813 1.060 1.00 0.00 H new ATOM 0 HG23 VAL A 63 77.715 -0.851 -0.434 1.00 0.00 H new ATOM 961 N ASP A 64 76.273 4.013 0.145 1.00 0.00 N ATOM 962 CA ASP A 64 76.515 5.452 -0.152 1.00 0.00 C ATOM 963 C ASP A 64 77.288 6.089 1.004 1.00 0.00 C ATOM 964 O ASP A 64 77.135 5.706 2.148 1.00 0.00 O ATOM 965 CB ASP A 64 75.124 6.068 -0.275 1.00 0.00 C ATOM 966 CG ASP A 64 74.329 5.322 -1.348 1.00 0.00 C ATOM 967 OD1 ASP A 64 74.949 4.671 -2.172 1.00 0.00 O ATOM 968 OD2 ASP A 64 73.112 5.414 -1.326 1.00 0.00 O ATOM 0 H ASP A 64 75.630 3.834 0.916 1.00 0.00 H new ATOM 0 HA ASP A 64 77.103 5.603 -1.057 1.00 0.00 H new ATOM 0 HB2 ASP A 64 74.604 6.013 0.682 1.00 0.00 H new ATOM 0 HB3 ASP A 64 75.204 7.124 -0.534 1.00 0.00 H new ATOM 973 N PHE A 65 78.122 7.049 0.717 1.00 0.00 N ATOM 974 CA PHE A 65 78.909 7.694 1.806 1.00 0.00 C ATOM 975 C PHE A 65 78.401 9.111 2.078 1.00 0.00 C ATOM 976 O PHE A 65 77.461 9.575 1.463 1.00 0.00 O ATOM 977 CB PHE A 65 80.347 7.709 1.294 1.00 0.00 C ATOM 978 CG PHE A 65 80.904 6.309 1.388 1.00 0.00 C ATOM 979 CD1 PHE A 65 80.914 5.647 2.621 1.00 0.00 C ATOM 980 CD2 PHE A 65 81.398 5.669 0.245 1.00 0.00 C ATOM 981 CE1 PHE A 65 81.417 4.345 2.713 1.00 0.00 C ATOM 982 CE2 PHE A 65 81.903 4.366 0.337 1.00 0.00 C ATOM 983 CZ PHE A 65 81.912 3.704 1.571 1.00 0.00 C ATOM 0 H PHE A 65 78.293 7.414 -0.220 1.00 0.00 H new ATOM 0 HA PHE A 65 78.822 7.158 2.751 1.00 0.00 H new ATOM 0 HB2 PHE A 65 80.378 8.061 0.263 1.00 0.00 H new ATOM 0 HB3 PHE A 65 80.952 8.398 1.884 1.00 0.00 H new ATOM 0 HD1 PHE A 65 80.533 6.142 3.502 1.00 0.00 H new ATOM 0 HD2 PHE A 65 81.390 6.180 -0.707 1.00 0.00 H new ATOM 0 HE1 PHE A 65 81.424 3.834 3.665 1.00 0.00 H new ATOM 0 HE2 PHE A 65 82.286 3.872 -0.544 1.00 0.00 H new ATOM 0 HZ PHE A 65 82.301 2.699 1.642 1.00 0.00 H new ATOM 993 N GLU A 66 79.003 9.793 3.016 1.00 0.00 N ATOM 994 CA GLU A 66 78.538 11.170 3.352 1.00 0.00 C ATOM 995 C GLU A 66 79.594 12.219 3.002 1.00 0.00 C ATOM 996 O GLU A 66 79.503 13.358 3.414 1.00 0.00 O ATOM 997 CB GLU A 66 78.303 11.142 4.863 1.00 0.00 C ATOM 998 CG GLU A 66 76.814 11.327 5.159 1.00 0.00 C ATOM 999 CD GLU A 66 76.565 12.753 5.654 1.00 0.00 C ATOM 1000 OE1 GLU A 66 76.682 13.666 4.852 1.00 0.00 O ATOM 1001 OE2 GLU A 66 76.263 12.908 6.825 1.00 0.00 O ATOM 0 H GLU A 66 79.795 9.457 3.563 1.00 0.00 H new ATOM 0 HA GLU A 66 77.644 11.439 2.790 1.00 0.00 H new ATOM 0 HB2 GLU A 66 78.651 10.195 5.277 1.00 0.00 H new ATOM 0 HB3 GLU A 66 78.880 11.932 5.345 1.00 0.00 H new ATOM 0 HG2 GLU A 66 76.227 11.135 4.261 1.00 0.00 H new ATOM 0 HG3 GLU A 66 76.490 10.608 5.911 1.00 0.00 H new ATOM 1008 N SER A 67 80.589 11.858 2.248 1.00 0.00 N ATOM 1009 CA SER A 67 81.632 12.866 1.887 1.00 0.00 C ATOM 1010 C SER A 67 82.731 12.267 1.026 1.00 0.00 C ATOM 1011 O SER A 67 82.758 11.087 0.732 1.00 0.00 O ATOM 1012 CB SER A 67 82.231 13.323 3.211 1.00 0.00 C ATOM 1013 OG SER A 67 82.621 12.185 3.968 1.00 0.00 O ATOM 0 H SER A 67 80.730 10.922 1.867 1.00 0.00 H new ATOM 0 HA SER A 67 81.189 13.679 1.312 1.00 0.00 H new ATOM 0 HB2 SER A 67 83.092 13.967 3.031 1.00 0.00 H new ATOM 0 HB3 SER A 67 81.503 13.913 3.768 1.00 0.00 H new ATOM 0 HG SER A 67 81.953 12.010 4.664 1.00 0.00 H new ATOM 1019 N ALA A 68 83.665 13.093 0.666 1.00 0.00 N ATOM 1020 CA ALA A 68 84.821 12.630 -0.134 1.00 0.00 C ATOM 1021 C ALA A 68 85.764 11.906 0.804 1.00 0.00 C ATOM 1022 O ALA A 68 86.578 11.094 0.411 1.00 0.00 O ATOM 1023 CB ALA A 68 85.475 13.911 -0.632 1.00 0.00 C ATOM 0 H ALA A 68 83.675 14.086 0.897 1.00 0.00 H new ATOM 0 HA ALA A 68 84.554 11.964 -0.954 1.00 0.00 H new ATOM 0 HB1 ALA A 68 86.346 13.663 -1.238 1.00 0.00 H new ATOM 0 HB2 ALA A 68 84.762 14.473 -1.235 1.00 0.00 H new ATOM 0 HB3 ALA A 68 85.786 14.516 0.220 1.00 0.00 H new ATOM 1029 N GLU A 69 85.641 12.218 2.057 1.00 0.00 N ATOM 1030 CA GLU A 69 86.499 11.590 3.079 1.00 0.00 C ATOM 1031 C GLU A 69 85.946 10.210 3.430 1.00 0.00 C ATOM 1032 O GLU A 69 86.675 9.311 3.803 1.00 0.00 O ATOM 1033 CB GLU A 69 86.404 12.550 4.256 1.00 0.00 C ATOM 1034 CG GLU A 69 87.796 12.776 4.839 1.00 0.00 C ATOM 1035 CD GLU A 69 87.845 12.246 6.274 1.00 0.00 C ATOM 1036 OE1 GLU A 69 88.054 11.055 6.437 1.00 0.00 O ATOM 1037 OE2 GLU A 69 87.672 13.040 7.184 1.00 0.00 O ATOM 0 H GLU A 69 84.969 12.894 2.419 1.00 0.00 H new ATOM 0 HA GLU A 69 87.530 11.433 2.761 1.00 0.00 H new ATOM 0 HB2 GLU A 69 85.975 13.498 3.932 1.00 0.00 H new ATOM 0 HB3 GLU A 69 85.740 12.143 5.019 1.00 0.00 H new ATOM 0 HG2 GLU A 69 88.543 12.270 4.228 1.00 0.00 H new ATOM 0 HG3 GLU A 69 88.039 13.838 4.825 1.00 0.00 H new ATOM 1044 N ASP A 70 84.663 10.023 3.272 1.00 0.00 N ATOM 1045 CA ASP A 70 84.070 8.694 3.556 1.00 0.00 C ATOM 1046 C ASP A 70 84.263 7.835 2.318 1.00 0.00 C ATOM 1047 O ASP A 70 84.333 6.625 2.382 1.00 0.00 O ATOM 1048 CB ASP A 70 82.584 8.953 3.812 1.00 0.00 C ATOM 1049 CG ASP A 70 82.422 9.854 5.037 1.00 0.00 C ATOM 1050 OD1 ASP A 70 83.300 9.833 5.884 1.00 0.00 O ATOM 1051 OD2 ASP A 70 81.423 10.551 5.106 1.00 0.00 O ATOM 0 H ASP A 70 84.004 10.736 2.958 1.00 0.00 H new ATOM 0 HA ASP A 70 84.521 8.186 4.408 1.00 0.00 H new ATOM 0 HB2 ASP A 70 82.131 9.424 2.939 1.00 0.00 H new ATOM 0 HB3 ASP A 70 82.062 8.009 3.971 1.00 0.00 H new ATOM 1056 N LEU A 71 84.370 8.474 1.186 1.00 0.00 N ATOM 1057 CA LEU A 71 84.581 7.724 -0.073 1.00 0.00 C ATOM 1058 C LEU A 71 86.061 7.356 -0.200 1.00 0.00 C ATOM 1059 O LEU A 71 86.413 6.305 -0.698 1.00 0.00 O ATOM 1060 CB LEU A 71 84.157 8.684 -1.187 1.00 0.00 C ATOM 1061 CG LEU A 71 84.285 7.993 -2.548 1.00 0.00 C ATOM 1062 CD1 LEU A 71 85.761 7.894 -2.937 1.00 0.00 C ATOM 1063 CD2 LEU A 71 83.683 6.588 -2.468 1.00 0.00 C ATOM 0 H LEU A 71 84.319 9.488 1.084 1.00 0.00 H new ATOM 0 HA LEU A 71 84.012 6.795 -0.114 1.00 0.00 H new ATOM 0 HB2 LEU A 71 83.128 9.007 -1.029 1.00 0.00 H new ATOM 0 HB3 LEU A 71 84.779 9.579 -1.164 1.00 0.00 H new ATOM 0 HG LEU A 71 83.751 8.575 -3.299 1.00 0.00 H new ATOM 0 HD11 LEU A 71 85.850 7.402 -3.906 1.00 0.00 H new ATOM 0 HD12 LEU A 71 86.189 8.895 -2.998 1.00 0.00 H new ATOM 0 HD13 LEU A 71 86.297 7.315 -2.185 1.00 0.00 H new ATOM 0 HD21 LEU A 71 83.775 6.097 -3.437 1.00 0.00 H new ATOM 0 HD22 LEU A 71 84.215 6.007 -1.715 1.00 0.00 H new ATOM 0 HD23 LEU A 71 82.630 6.658 -2.195 1.00 0.00 H new ATOM 1075 N GLU A 72 86.930 8.215 0.263 1.00 0.00 N ATOM 1076 CA GLU A 72 88.389 7.920 0.188 1.00 0.00 C ATOM 1077 C GLU A 72 88.745 6.841 1.213 1.00 0.00 C ATOM 1078 O GLU A 72 89.560 5.970 0.964 1.00 0.00 O ATOM 1079 CB GLU A 72 89.081 9.239 0.533 1.00 0.00 C ATOM 1080 CG GLU A 72 89.693 9.842 -0.734 1.00 0.00 C ATOM 1081 CD GLU A 72 91.007 10.542 -0.384 1.00 0.00 C ATOM 1082 OE1 GLU A 72 91.927 9.858 0.032 1.00 0.00 O ATOM 1083 OE2 GLU A 72 91.070 11.751 -0.538 1.00 0.00 O ATOM 0 H GLU A 72 86.691 9.110 0.691 1.00 0.00 H new ATOM 0 HA GLU A 72 88.693 7.552 -0.792 1.00 0.00 H new ATOM 0 HB2 GLU A 72 88.364 9.934 0.970 1.00 0.00 H new ATOM 0 HB3 GLU A 72 89.857 9.070 1.280 1.00 0.00 H new ATOM 0 HG2 GLU A 72 89.871 9.060 -1.472 1.00 0.00 H new ATOM 0 HG3 GLU A 72 88.999 10.552 -1.183 1.00 0.00 H new ATOM 1090 N LYS A 73 88.110 6.867 2.353 1.00 0.00 N ATOM 1091 CA LYS A 73 88.386 5.828 3.368 1.00 0.00 C ATOM 1092 C LYS A 73 87.678 4.569 2.914 1.00 0.00 C ATOM 1093 O LYS A 73 88.090 3.461 3.195 1.00 0.00 O ATOM 1094 CB LYS A 73 87.785 6.359 4.670 1.00 0.00 C ATOM 1095 CG LYS A 73 88.526 7.628 5.094 1.00 0.00 C ATOM 1096 CD LYS A 73 89.534 7.289 6.193 1.00 0.00 C ATOM 1097 CE LYS A 73 89.005 7.784 7.541 1.00 0.00 C ATOM 1098 NZ LYS A 73 89.470 9.195 7.642 1.00 0.00 N ATOM 0 H LYS A 73 87.414 7.564 2.619 1.00 0.00 H new ATOM 0 HA LYS A 73 89.445 5.607 3.504 1.00 0.00 H new ATOM 0 HB2 LYS A 73 86.725 6.573 4.533 1.00 0.00 H new ATOM 0 HB3 LYS A 73 87.859 5.603 5.452 1.00 0.00 H new ATOM 0 HG2 LYS A 73 89.039 8.065 4.238 1.00 0.00 H new ATOM 0 HG3 LYS A 73 87.816 8.373 5.454 1.00 0.00 H new ATOM 0 HD2 LYS A 73 89.701 6.212 6.229 1.00 0.00 H new ATOM 0 HD3 LYS A 73 90.496 7.753 5.975 1.00 0.00 H new ATOM 0 HE2 LYS A 73 87.918 7.723 7.585 1.00 0.00 H new ATOM 0 HE3 LYS A 73 89.392 7.181 8.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 89.146 9.604 8.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 90.509 9.222 7.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 89.080 9.746 6.851 1.00 0.00 H new ATOM 1112 N ALA A 74 86.619 4.745 2.175 1.00 0.00 N ATOM 1113 CA ALA A 74 85.883 3.576 1.661 1.00 0.00 C ATOM 1114 C ALA A 74 86.762 2.860 0.640 1.00 0.00 C ATOM 1115 O ALA A 74 86.699 1.658 0.476 1.00 0.00 O ATOM 1116 CB ALA A 74 84.627 4.141 1.001 1.00 0.00 C ATOM 0 H ALA A 74 86.237 5.652 1.909 1.00 0.00 H new ATOM 0 HA ALA A 74 85.621 2.859 2.439 1.00 0.00 H new ATOM 0 HB1 ALA A 74 84.030 3.324 0.595 1.00 0.00 H new ATOM 0 HB2 ALA A 74 84.041 4.686 1.741 1.00 0.00 H new ATOM 0 HB3 ALA A 74 84.912 4.817 0.195 1.00 0.00 H new ATOM 1122 N LEU A 75 87.609 3.600 -0.026 1.00 0.00 N ATOM 1123 CA LEU A 75 88.524 2.982 -1.013 1.00 0.00 C ATOM 1124 C LEU A 75 89.569 2.182 -0.250 1.00 0.00 C ATOM 1125 O LEU A 75 89.854 1.044 -0.566 1.00 0.00 O ATOM 1126 CB LEU A 75 89.167 4.160 -1.744 1.00 0.00 C ATOM 1127 CG LEU A 75 89.557 3.737 -3.158 1.00 0.00 C ATOM 1128 CD1 LEU A 75 90.671 2.691 -3.089 1.00 0.00 C ATOM 1129 CD2 LEU A 75 88.340 3.142 -3.868 1.00 0.00 C ATOM 0 H LEU A 75 87.702 4.611 0.076 1.00 0.00 H new ATOM 0 HA LEU A 75 88.027 2.310 -1.713 1.00 0.00 H new ATOM 0 HB2 LEU A 75 88.472 4.999 -1.784 1.00 0.00 H new ATOM 0 HB3 LEU A 75 90.048 4.501 -1.200 1.00 0.00 H new ATOM 0 HG LEU A 75 89.910 4.607 -3.712 1.00 0.00 H new ATOM 0 HD11 LEU A 75 90.949 2.389 -4.099 1.00 0.00 H new ATOM 0 HD12 LEU A 75 91.539 3.116 -2.585 1.00 0.00 H new ATOM 0 HD13 LEU A 75 90.320 1.821 -2.534 1.00 0.00 H new ATOM 0 HD21 LEU A 75 88.619 2.840 -4.877 1.00 0.00 H new ATOM 0 HD22 LEU A 75 87.985 2.273 -3.315 1.00 0.00 H new ATOM 0 HD23 LEU A 75 87.547 3.888 -3.919 1.00 0.00 H new ATOM 1141 N GLU A 76 90.123 2.764 0.779 1.00 0.00 N ATOM 1142 CA GLU A 76 91.125 2.030 1.586 1.00 0.00 C ATOM 1143 C GLU A 76 90.409 1.015 2.475 1.00 0.00 C ATOM 1144 O GLU A 76 91.029 0.238 3.175 1.00 0.00 O ATOM 1145 CB GLU A 76 91.799 3.090 2.443 1.00 0.00 C ATOM 1146 CG GLU A 76 93.187 3.403 1.881 1.00 0.00 C ATOM 1147 CD GLU A 76 93.788 4.591 2.633 1.00 0.00 C ATOM 1148 OE1 GLU A 76 93.032 5.471 3.011 1.00 0.00 O ATOM 1149 OE2 GLU A 76 94.994 4.600 2.819 1.00 0.00 O ATOM 0 H GLU A 76 89.922 3.714 1.091 1.00 0.00 H new ATOM 0 HA GLU A 76 91.844 1.489 0.971 1.00 0.00 H new ATOM 0 HB2 GLU A 76 91.192 3.995 2.463 1.00 0.00 H new ATOM 0 HB3 GLU A 76 91.883 2.740 3.472 1.00 0.00 H new ATOM 0 HG2 GLU A 76 93.835 2.532 1.979 1.00 0.00 H new ATOM 0 HG3 GLU A 76 93.117 3.630 0.817 1.00 0.00 H new ATOM 1156 N LEU A 77 89.101 1.016 2.451 1.00 0.00 N ATOM 1157 CA LEU A 77 88.337 0.054 3.290 1.00 0.00 C ATOM 1158 C LEU A 77 88.344 -1.335 2.645 1.00 0.00 C ATOM 1159 O LEU A 77 87.615 -2.218 3.051 1.00 0.00 O ATOM 1160 CB LEU A 77 86.913 0.613 3.342 1.00 0.00 C ATOM 1161 CG LEU A 77 86.530 0.926 4.792 1.00 0.00 C ATOM 1162 CD1 LEU A 77 86.910 -0.249 5.696 1.00 0.00 C ATOM 1163 CD2 LEU A 77 87.268 2.183 5.255 1.00 0.00 C ATOM 0 H LEU A 77 88.531 1.644 1.884 1.00 0.00 H new ATOM 0 HA LEU A 77 88.768 -0.056 4.285 1.00 0.00 H new ATOM 0 HB2 LEU A 77 86.845 1.516 2.735 1.00 0.00 H new ATOM 0 HB3 LEU A 77 86.214 -0.108 2.919 1.00 0.00 H new ATOM 0 HG LEU A 77 85.454 1.091 4.850 1.00 0.00 H new ATOM 0 HD11 LEU A 77 86.635 -0.020 6.726 1.00 0.00 H new ATOM 0 HD12 LEU A 77 86.381 -1.145 5.370 1.00 0.00 H new ATOM 0 HD13 LEU A 77 87.985 -0.421 5.637 1.00 0.00 H new ATOM 0 HD21 LEU A 77 86.995 2.406 6.287 1.00 0.00 H new ATOM 0 HD22 LEU A 77 88.344 2.018 5.191 1.00 0.00 H new ATOM 0 HD23 LEU A 77 86.992 3.023 4.617 1.00 0.00 H new ATOM 1175 N THR A 78 89.170 -1.545 1.650 1.00 0.00 N ATOM 1176 CA THR A 78 89.220 -2.884 1.002 1.00 0.00 C ATOM 1177 C THR A 78 89.692 -3.931 2.001 1.00 0.00 C ATOM 1178 O THR A 78 89.639 -5.119 1.753 1.00 0.00 O ATOM 1179 CB THR A 78 90.212 -2.742 -0.154 1.00 0.00 C ATOM 1180 OG1 THR A 78 90.194 -1.404 -0.631 1.00 0.00 O ATOM 1181 CG2 THR A 78 89.821 -3.695 -1.285 1.00 0.00 C ATOM 0 H THR A 78 89.807 -0.849 1.263 1.00 0.00 H new ATOM 0 HA THR A 78 88.241 -3.206 0.646 1.00 0.00 H new ATOM 0 HB THR A 78 91.214 -2.989 0.195 1.00 0.00 H new ATOM 0 HG1 THR A 78 90.830 -1.312 -1.371 1.00 0.00 H new ATOM 0 HG21 THR A 78 90.528 -3.593 -2.108 1.00 0.00 H new ATOM 0 HG22 THR A 78 89.837 -4.721 -0.918 1.00 0.00 H new ATOM 0 HG23 THR A 78 88.818 -3.451 -1.636 1.00 0.00 H new ATOM 1189 N GLY A 79 90.137 -3.494 3.136 1.00 0.00 N ATOM 1190 CA GLY A 79 90.601 -4.452 4.179 1.00 0.00 C ATOM 1191 C GLY A 79 89.409 -4.866 5.048 1.00 0.00 C ATOM 1192 O GLY A 79 89.541 -5.096 6.234 1.00 0.00 O ATOM 0 H GLY A 79 90.202 -2.509 3.394 1.00 0.00 H new ATOM 0 HA2 GLY A 79 91.048 -5.329 3.711 1.00 0.00 H new ATOM 0 HA3 GLY A 79 91.373 -3.992 4.795 1.00 0.00 H new ATOM 1196 N LEU A 80 88.243 -4.959 4.464 1.00 0.00 N ATOM 1197 CA LEU A 80 87.035 -5.352 5.245 1.00 0.00 C ATOM 1198 C LEU A 80 86.924 -6.874 5.326 1.00 0.00 C ATOM 1199 O LEU A 80 87.827 -7.596 4.953 1.00 0.00 O ATOM 1200 CB LEU A 80 85.857 -4.780 4.455 1.00 0.00 C ATOM 1201 CG LEU A 80 85.379 -3.483 5.109 1.00 0.00 C ATOM 1202 CD1 LEU A 80 85.148 -2.424 4.030 1.00 0.00 C ATOM 1203 CD2 LEU A 80 84.068 -3.745 5.854 1.00 0.00 C ATOM 0 H LEU A 80 88.076 -4.778 3.474 1.00 0.00 H new ATOM 0 HA LEU A 80 87.069 -4.980 6.269 1.00 0.00 H new ATOM 0 HB2 LEU A 80 86.156 -4.590 3.424 1.00 0.00 H new ATOM 0 HB3 LEU A 80 85.043 -5.504 4.423 1.00 0.00 H new ATOM 0 HG LEU A 80 86.134 -3.128 5.811 1.00 0.00 H new ATOM 0 HD11 LEU A 80 84.807 -1.499 4.495 1.00 0.00 H new ATOM 0 HD12 LEU A 80 86.080 -2.240 3.496 1.00 0.00 H new ATOM 0 HD13 LEU A 80 84.392 -2.778 3.329 1.00 0.00 H new ATOM 0 HD21 LEU A 80 83.724 -2.822 6.321 1.00 0.00 H new ATOM 0 HD22 LEU A 80 83.314 -4.098 5.150 1.00 0.00 H new ATOM 0 HD23 LEU A 80 84.231 -4.502 6.621 1.00 0.00 H new ATOM 1215 N LYS A 81 85.816 -7.362 5.807 1.00 0.00 N ATOM 1216 CA LYS A 81 85.625 -8.838 5.914 1.00 0.00 C ATOM 1217 C LYS A 81 84.253 -9.140 6.480 1.00 0.00 C ATOM 1218 O LYS A 81 84.086 -9.927 7.390 1.00 0.00 O ATOM 1219 CB LYS A 81 86.689 -9.307 6.874 1.00 0.00 C ATOM 1220 CG LYS A 81 87.723 -10.161 6.135 1.00 0.00 C ATOM 1221 CD LYS A 81 88.951 -10.361 7.025 1.00 0.00 C ATOM 1222 CE LYS A 81 90.208 -10.423 6.155 1.00 0.00 C ATOM 1223 NZ LYS A 81 91.120 -9.391 6.722 1.00 0.00 N ATOM 0 H LYS A 81 85.029 -6.801 6.133 1.00 0.00 H new ATOM 0 HA LYS A 81 85.700 -9.332 4.945 1.00 0.00 H new ATOM 0 HB2 LYS A 81 87.177 -8.449 7.336 1.00 0.00 H new ATOM 0 HB3 LYS A 81 86.235 -9.886 7.678 1.00 0.00 H new ATOM 0 HG2 LYS A 81 87.291 -11.126 5.871 1.00 0.00 H new ATOM 0 HG3 LYS A 81 88.012 -9.675 5.203 1.00 0.00 H new ATOM 0 HD2 LYS A 81 89.031 -9.543 7.741 1.00 0.00 H new ATOM 0 HD3 LYS A 81 88.849 -11.280 7.602 1.00 0.00 H new ATOM 0 HE2 LYS A 81 90.663 -11.413 6.188 1.00 0.00 H new ATOM 0 HE3 LYS A 81 89.976 -10.214 5.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 92.006 -9.373 6.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 90.663 -8.458 6.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 91.329 -9.620 7.715 1.00 0.00 H new ATOM 1237 N VAL A 82 83.283 -8.505 5.936 1.00 0.00 N ATOM 1238 CA VAL A 82 81.882 -8.711 6.404 1.00 0.00 C ATOM 1239 C VAL A 82 81.636 -10.195 6.681 1.00 0.00 C ATOM 1240 O VAL A 82 81.899 -11.042 5.851 1.00 0.00 O ATOM 1241 CB VAL A 82 80.999 -8.225 5.256 1.00 0.00 C ATOM 1242 CG1 VAL A 82 79.560 -8.687 5.490 1.00 0.00 C ATOM 1243 CG2 VAL A 82 81.040 -6.697 5.195 1.00 0.00 C ATOM 0 H VAL A 82 83.387 -7.837 5.172 1.00 0.00 H new ATOM 0 HA VAL A 82 81.672 -8.173 7.329 1.00 0.00 H new ATOM 0 HB VAL A 82 81.365 -8.637 4.315 1.00 0.00 H new ATOM 0 HG11 VAL A 82 78.929 -8.341 4.671 1.00 0.00 H new ATOM 0 HG12 VAL A 82 79.530 -9.776 5.536 1.00 0.00 H new ATOM 0 HG13 VAL A 82 79.194 -8.274 6.430 1.00 0.00 H new ATOM 0 HG21 VAL A 82 80.410 -6.349 4.376 1.00 0.00 H new ATOM 0 HG22 VAL A 82 80.673 -6.285 6.135 1.00 0.00 H new ATOM 0 HG23 VAL A 82 82.066 -6.367 5.030 1.00 0.00 H new ATOM 1253 N PHE A 83 81.141 -10.518 7.843 1.00 0.00 N ATOM 1254 CA PHE A 83 80.889 -11.950 8.172 1.00 0.00 C ATOM 1255 C PHE A 83 82.076 -12.810 7.727 1.00 0.00 C ATOM 1256 O PHE A 83 81.938 -13.988 7.461 1.00 0.00 O ATOM 1257 CB PHE A 83 79.627 -12.322 7.393 1.00 0.00 C ATOM 1258 CG PHE A 83 78.416 -12.080 8.262 1.00 0.00 C ATOM 1259 CD1 PHE A 83 78.099 -12.981 9.286 1.00 0.00 C ATOM 1260 CD2 PHE A 83 77.614 -10.953 8.049 1.00 0.00 C ATOM 1261 CE1 PHE A 83 76.980 -12.756 10.095 1.00 0.00 C ATOM 1262 CE2 PHE A 83 76.494 -10.728 8.858 1.00 0.00 C ATOM 1263 CZ PHE A 83 76.177 -11.629 9.881 1.00 0.00 C ATOM 0 H PHE A 83 80.900 -9.854 8.579 1.00 0.00 H new ATOM 0 HA PHE A 83 80.765 -12.113 9.242 1.00 0.00 H new ATOM 0 HB2 PHE A 83 79.560 -11.728 6.482 1.00 0.00 H new ATOM 0 HB3 PHE A 83 79.668 -13.368 7.089 1.00 0.00 H new ATOM 0 HD1 PHE A 83 78.719 -13.850 9.451 1.00 0.00 H new ATOM 0 HD2 PHE A 83 77.859 -10.257 7.260 1.00 0.00 H new ATOM 0 HE1 PHE A 83 76.736 -13.451 10.884 1.00 0.00 H new ATOM 0 HE2 PHE A 83 75.874 -9.859 8.693 1.00 0.00 H new ATOM 0 HZ PHE A 83 75.313 -11.455 10.505 1.00 0.00 H new ATOM 1273 N GLY A 84 83.244 -12.230 7.648 1.00 0.00 N ATOM 1274 CA GLY A 84 84.443 -13.011 7.226 1.00 0.00 C ATOM 1275 C GLY A 84 84.608 -12.928 5.707 1.00 0.00 C ATOM 1276 O GLY A 84 85.269 -13.747 5.099 1.00 0.00 O ATOM 0 H GLY A 84 83.420 -11.247 7.858 1.00 0.00 H new ATOM 0 HA2 GLY A 84 85.334 -12.622 7.719 1.00 0.00 H new ATOM 0 HA3 GLY A 84 84.337 -14.051 7.533 1.00 0.00 H new ATOM 1280 N ASN A 85 84.019 -11.942 5.090 1.00 0.00 N ATOM 1281 CA ASN A 85 84.148 -11.800 3.610 1.00 0.00 C ATOM 1282 C ASN A 85 84.522 -10.359 3.266 1.00 0.00 C ATOM 1283 O ASN A 85 83.694 -9.470 3.290 1.00 0.00 O ATOM 1284 CB ASN A 85 82.768 -12.147 3.048 1.00 0.00 C ATOM 1285 CG ASN A 85 82.455 -13.617 3.334 1.00 0.00 C ATOM 1286 OD1 ASN A 85 83.185 -14.279 4.045 1.00 0.00 O ATOM 1287 ND2 ASN A 85 81.394 -14.161 2.804 1.00 0.00 N ATOM 0 H ASN A 85 83.453 -11.227 5.546 1.00 0.00 H new ATOM 0 HA ASN A 85 84.922 -12.446 3.195 1.00 0.00 H new ATOM 0 HB2 ASN A 85 82.009 -11.508 3.499 1.00 0.00 H new ATOM 0 HB3 ASN A 85 82.744 -11.961 1.974 1.00 0.00 H new ATOM 0 HD21 ASN A 85 81.178 -15.141 2.987 1.00 0.00 H new ATOM 0 HD22 ASN A 85 80.781 -13.606 2.207 1.00 0.00 H new ATOM 1294 N GLU A 86 85.765 -10.116 2.959 1.00 0.00 N ATOM 1295 CA GLU A 86 86.186 -8.726 2.630 1.00 0.00 C ATOM 1296 C GLU A 86 85.300 -8.152 1.527 1.00 0.00 C ATOM 1297 O GLU A 86 85.559 -8.327 0.353 1.00 0.00 O ATOM 1298 CB GLU A 86 87.632 -8.846 2.158 1.00 0.00 C ATOM 1299 CG GLU A 86 87.691 -9.718 0.903 1.00 0.00 C ATOM 1300 CD GLU A 86 88.611 -10.914 1.154 1.00 0.00 C ATOM 1301 OE1 GLU A 86 89.603 -10.739 1.842 1.00 0.00 O ATOM 1302 OE2 GLU A 86 88.308 -11.985 0.655 1.00 0.00 O ATOM 0 H GLU A 86 86.505 -10.817 2.922 1.00 0.00 H new ATOM 0 HA GLU A 86 86.097 -8.055 3.485 1.00 0.00 H new ATOM 0 HB2 GLU A 86 88.039 -7.857 1.946 1.00 0.00 H new ATOM 0 HB3 GLU A 86 88.247 -9.282 2.945 1.00 0.00 H new ATOM 0 HG2 GLU A 86 86.691 -10.064 0.641 1.00 0.00 H new ATOM 0 HG3 GLU A 86 88.058 -9.134 0.059 1.00 0.00 H new ATOM 1309 N ILE A 87 84.254 -7.468 1.897 1.00 0.00 N ATOM 1310 CA ILE A 87 83.351 -6.883 0.872 1.00 0.00 C ATOM 1311 C ILE A 87 84.167 -6.160 -0.194 1.00 0.00 C ATOM 1312 O ILE A 87 85.161 -5.521 0.090 1.00 0.00 O ATOM 1313 CB ILE A 87 82.464 -5.892 1.624 1.00 0.00 C ATOM 1314 CG1 ILE A 87 83.315 -5.076 2.598 1.00 0.00 C ATOM 1315 CG2 ILE A 87 81.390 -6.655 2.397 1.00 0.00 C ATOM 1316 CD1 ILE A 87 82.978 -3.592 2.446 1.00 0.00 C ATOM 0 H ILE A 87 83.987 -7.290 2.865 1.00 0.00 H new ATOM 0 HA ILE A 87 82.762 -7.647 0.366 1.00 0.00 H new ATOM 0 HB ILE A 87 81.989 -5.219 0.911 1.00 0.00 H new ATOM 0 HG12 ILE A 87 83.127 -5.400 3.622 1.00 0.00 H new ATOM 0 HG13 ILE A 87 84.374 -5.242 2.400 1.00 0.00 H new ATOM 0 HG21 ILE A 87 80.757 -5.948 2.934 1.00 0.00 H new ATOM 0 HG22 ILE A 87 80.781 -7.232 1.701 1.00 0.00 H new ATOM 0 HG23 ILE A 87 81.865 -7.330 3.109 1.00 0.00 H new ATOM 0 HD11 ILE A 87 83.584 -3.008 3.139 1.00 0.00 H new ATOM 0 HD12 ILE A 87 83.188 -3.274 1.425 1.00 0.00 H new ATOM 0 HD13 ILE A 87 81.922 -3.434 2.665 1.00 0.00 H new ATOM 1328 N LYS A 88 83.745 -6.251 -1.417 1.00 0.00 N ATOM 1329 CA LYS A 88 84.476 -5.567 -2.515 1.00 0.00 C ATOM 1330 C LYS A 88 83.654 -4.376 -2.998 1.00 0.00 C ATOM 1331 O LYS A 88 82.480 -4.268 -2.710 1.00 0.00 O ATOM 1332 CB LYS A 88 84.611 -6.615 -3.620 1.00 0.00 C ATOM 1333 CG LYS A 88 85.571 -7.716 -3.166 1.00 0.00 C ATOM 1334 CD LYS A 88 86.931 -7.517 -3.838 1.00 0.00 C ATOM 1335 CE LYS A 88 87.954 -7.058 -2.797 1.00 0.00 C ATOM 1336 NZ LYS A 88 88.746 -5.998 -3.479 1.00 0.00 N ATOM 0 H LYS A 88 82.919 -6.773 -1.708 1.00 0.00 H new ATOM 0 HA LYS A 88 85.450 -5.190 -2.204 1.00 0.00 H new ATOM 0 HB2 LYS A 88 83.635 -7.042 -3.852 1.00 0.00 H new ATOM 0 HB3 LYS A 88 84.981 -6.150 -4.534 1.00 0.00 H new ATOM 0 HG2 LYS A 88 85.682 -7.692 -2.082 1.00 0.00 H new ATOM 0 HG3 LYS A 88 85.166 -8.695 -3.423 1.00 0.00 H new ATOM 0 HD2 LYS A 88 87.260 -8.448 -4.300 1.00 0.00 H new ATOM 0 HD3 LYS A 88 86.850 -6.777 -4.634 1.00 0.00 H new ATOM 0 HE2 LYS A 88 87.463 -6.671 -1.904 1.00 0.00 H new ATOM 0 HE3 LYS A 88 88.591 -7.883 -2.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 89.615 -5.812 -2.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 88.995 -6.314 -4.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 88.182 -5.126 -3.537 1.00 0.00 H new ATOM 1350 N LEU A 89 84.256 -3.477 -3.719 1.00 0.00 N ATOM 1351 CA LEU A 89 83.503 -2.295 -4.207 1.00 0.00 C ATOM 1352 C LEU A 89 83.422 -2.306 -5.733 1.00 0.00 C ATOM 1353 O LEU A 89 83.920 -3.199 -6.389 1.00 0.00 O ATOM 1354 CB LEU A 89 84.315 -1.099 -3.725 1.00 0.00 C ATOM 1355 CG LEU A 89 83.963 -0.788 -2.270 1.00 0.00 C ATOM 1356 CD1 LEU A 89 85.186 -1.037 -1.385 1.00 0.00 C ATOM 1357 CD2 LEU A 89 83.540 0.678 -2.151 1.00 0.00 C ATOM 0 H LEU A 89 85.238 -3.510 -3.992 1.00 0.00 H new ATOM 0 HA LEU A 89 82.477 -2.275 -3.840 1.00 0.00 H new ATOM 0 HB2 LEU A 89 85.380 -1.311 -3.814 1.00 0.00 H new ATOM 0 HB3 LEU A 89 84.109 -0.231 -4.352 1.00 0.00 H new ATOM 0 HG LEU A 89 83.144 -1.431 -1.949 1.00 0.00 H new ATOM 0 HD11 LEU A 89 84.936 -0.815 -0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 89 85.490 -2.080 -1.470 1.00 0.00 H new ATOM 0 HD13 LEU A 89 86.005 -0.393 -1.706 1.00 0.00 H new ATOM 0 HD21 LEU A 89 83.289 0.901 -1.114 1.00 0.00 H new ATOM 0 HD22 LEU A 89 84.360 1.320 -2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 89 82.670 0.858 -2.782 1.00 0.00 H new ATOM 1369 N GLU A 90 82.797 -1.314 -6.296 1.00 0.00 N ATOM 1370 CA GLU A 90 82.675 -1.250 -7.781 1.00 0.00 C ATOM 1371 C GLU A 90 82.073 0.092 -8.204 1.00 0.00 C ATOM 1372 O GLU A 90 81.357 0.725 -7.454 1.00 0.00 O ATOM 1373 CB GLU A 90 81.737 -2.399 -8.151 1.00 0.00 C ATOM 1374 CG GLU A 90 82.470 -3.385 -9.063 1.00 0.00 C ATOM 1375 CD GLU A 90 81.477 -4.006 -10.047 1.00 0.00 C ATOM 1376 OE1 GLU A 90 80.885 -3.261 -10.811 1.00 0.00 O ATOM 1377 OE2 GLU A 90 81.324 -5.216 -10.020 1.00 0.00 O ATOM 0 H GLU A 90 82.363 -0.541 -5.792 1.00 0.00 H new ATOM 0 HA GLU A 90 83.641 -1.336 -8.279 1.00 0.00 H new ATOM 0 HB2 GLU A 90 81.394 -2.907 -7.250 1.00 0.00 H new ATOM 0 HB3 GLU A 90 80.851 -2.011 -8.654 1.00 0.00 H new ATOM 0 HG2 GLU A 90 83.264 -2.873 -9.606 1.00 0.00 H new ATOM 0 HG3 GLU A 90 82.943 -4.165 -8.467 1.00 0.00 H new