USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=10 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 26 ASN : amide:sc= -4.92! C(o=-8.8!,f=-21!) USER MOD Set 1.2: A 85 ASN : amide:sc= -3.91! C(o=-8.8!,f=-16!) USER MOD Set 2.1: A 16 THR OG1 : rot -82:sc= -3.11! USER MOD Set 2.2: A 19 ASN : amide:sc= -4.56! C(o=-7.7!,f=-9.1!) USER MOD Single : A 15 THR OG1 : rot 36:sc= 0.0075 USER MOD Single : A 24 ASN : amide:sc= -0.696 K(o=-0.7,f=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.019) 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+ 142:sc= 0.572 (180deg=0.119) USER MOD Single : A 39 SER OG : rot 78:sc= 0.0308 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -4.74! K(o=-4.7!,f=-2.9) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -160:sc= -2.35! USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= -1.44 USER MOD Single : A 67 SER OG : rot 180:sc= -3.69! USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 97:sc= 0.74 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 190 N THR A 15 70.516 10.229 -2.426 1.00 0.00 N ATOM 191 CA THR A 15 70.485 10.526 -0.965 1.00 0.00 C ATOM 192 C THR A 15 71.862 10.999 -0.494 1.00 0.00 C ATOM 193 O THR A 15 72.028 11.446 0.624 1.00 0.00 O ATOM 194 CB THR A 15 70.115 9.200 -0.299 1.00 0.00 C ATOM 195 OG1 THR A 15 68.731 8.942 -0.495 1.00 0.00 O ATOM 196 CG2 THR A 15 70.415 9.276 1.198 1.00 0.00 C ATOM 0 HA THR A 15 69.776 11.317 -0.718 1.00 0.00 H new ATOM 0 HB THR A 15 70.701 8.395 -0.743 1.00 0.00 H new ATOM 0 HG1 THR A 15 68.460 9.264 -1.380 1.00 0.00 H new ATOM 0 HG21 THR A 15 70.151 8.330 1.671 1.00 0.00 H new ATOM 0 HG22 THR A 15 71.477 9.472 1.347 1.00 0.00 H new ATOM 0 HG23 THR A 15 69.832 10.081 1.646 1.00 0.00 H new ATOM 204 N THR A 16 72.849 10.904 -1.340 1.00 0.00 N ATOM 205 CA THR A 16 74.218 11.348 -0.946 1.00 0.00 C ATOM 206 C THR A 16 75.067 11.613 -2.192 1.00 0.00 C ATOM 207 O THR A 16 74.769 11.122 -3.263 1.00 0.00 O ATOM 208 CB THR A 16 74.801 10.186 -0.145 1.00 0.00 C ATOM 209 OG1 THR A 16 74.556 8.971 -0.838 1.00 0.00 O ATOM 210 CG2 THR A 16 74.148 10.131 1.235 1.00 0.00 C ATOM 0 H THR A 16 72.768 10.538 -2.289 1.00 0.00 H new ATOM 0 HA THR A 16 74.198 12.272 -0.368 1.00 0.00 H new ATOM 0 HB THR A 16 75.875 10.329 -0.025 1.00 0.00 H new ATOM 0 HG1 THR A 16 73.646 8.663 -0.646 1.00 0.00 H new ATOM 0 HG21 THR A 16 74.567 9.300 1.803 1.00 0.00 H new ATOM 0 HG22 THR A 16 74.337 11.065 1.765 1.00 0.00 H new ATOM 0 HG23 THR A 16 73.073 9.989 1.123 1.00 0.00 H new ATOM 218 N PRO A 17 76.098 12.389 -2.004 1.00 0.00 N ATOM 219 CA PRO A 17 77.003 12.734 -3.124 1.00 0.00 C ATOM 220 C PRO A 17 77.948 11.569 -3.443 1.00 0.00 C ATOM 221 O PRO A 17 78.536 11.514 -4.504 1.00 0.00 O ATOM 222 CB PRO A 17 77.784 13.932 -2.594 1.00 0.00 C ATOM 223 CG PRO A 17 77.744 13.803 -1.103 1.00 0.00 C ATOM 224 CD PRO A 17 76.507 13.018 -0.745 1.00 0.00 C ATOM 0 HA PRO A 17 76.469 12.948 -4.050 1.00 0.00 H new ATOM 0 HB2 PRO A 17 78.810 13.926 -2.962 1.00 0.00 H new ATOM 0 HB3 PRO A 17 77.334 14.870 -2.920 1.00 0.00 H new ATOM 0 HG2 PRO A 17 78.638 13.296 -0.739 1.00 0.00 H new ATOM 0 HG3 PRO A 17 77.722 14.787 -0.634 1.00 0.00 H new ATOM 0 HD2 PRO A 17 76.717 12.272 0.022 1.00 0.00 H new ATOM 0 HD3 PRO A 17 75.724 13.667 -0.352 1.00 0.00 H new ATOM 232 N PHE A 18 78.109 10.640 -2.536 1.00 0.00 N ATOM 233 CA PHE A 18 79.028 9.497 -2.810 1.00 0.00 C ATOM 234 C PHE A 18 78.292 8.157 -2.699 1.00 0.00 C ATOM 235 O PHE A 18 77.830 7.773 -1.644 1.00 0.00 O ATOM 236 CB PHE A 18 80.117 9.603 -1.743 1.00 0.00 C ATOM 237 CG PHE A 18 80.980 10.805 -2.034 1.00 0.00 C ATOM 238 CD1 PHE A 18 81.978 10.732 -3.013 1.00 0.00 C ATOM 239 CD2 PHE A 18 80.778 11.997 -1.330 1.00 0.00 C ATOM 240 CE1 PHE A 18 82.775 11.850 -3.286 1.00 0.00 C ATOM 241 CE2 PHE A 18 81.574 13.115 -1.602 1.00 0.00 C ATOM 242 CZ PHE A 18 82.573 13.043 -2.581 1.00 0.00 C ATOM 0 H PHE A 18 77.648 10.623 -1.626 1.00 0.00 H new ATOM 0 HA PHE A 18 79.434 9.538 -3.821 1.00 0.00 H new ATOM 0 HB2 PHE A 18 79.667 9.694 -0.754 1.00 0.00 H new ATOM 0 HB3 PHE A 18 80.724 8.698 -1.735 1.00 0.00 H new ATOM 0 HD1 PHE A 18 82.133 9.813 -3.558 1.00 0.00 H new ATOM 0 HD2 PHE A 18 80.007 12.054 -0.576 1.00 0.00 H new ATOM 0 HE1 PHE A 18 83.546 11.792 -4.040 1.00 0.00 H new ATOM 0 HE2 PHE A 18 81.418 14.034 -1.057 1.00 0.00 H new ATOM 0 HZ PHE A 18 83.187 13.906 -2.792 1.00 0.00 H new ATOM 252 N ASN A 19 78.193 7.444 -3.787 1.00 0.00 N ATOM 253 CA ASN A 19 77.505 6.124 -3.774 1.00 0.00 C ATOM 254 C ASN A 19 78.237 5.170 -4.718 1.00 0.00 C ATOM 255 O ASN A 19 78.844 5.586 -5.684 1.00 0.00 O ATOM 256 CB ASN A 19 76.094 6.403 -4.289 1.00 0.00 C ATOM 257 CG ASN A 19 75.547 7.679 -3.645 1.00 0.00 C ATOM 258 OD1 ASN A 19 76.074 8.754 -3.854 1.00 0.00 O ATOM 259 ND2 ASN A 19 74.502 7.606 -2.865 1.00 0.00 N ATOM 0 H ASN A 19 78.564 7.724 -4.695 1.00 0.00 H new ATOM 0 HA ASN A 19 77.487 5.667 -2.785 1.00 0.00 H new ATOM 0 HB2 ASN A 19 76.108 6.510 -5.374 1.00 0.00 H new ATOM 0 HB3 ASN A 19 75.441 5.561 -4.060 1.00 0.00 H new ATOM 0 HD21 ASN A 19 74.129 8.451 -2.432 1.00 0.00 H new ATOM 0 HD22 ASN A 19 74.059 6.704 -2.689 1.00 0.00 H new ATOM 266 N LEU A 20 78.188 3.898 -4.451 1.00 0.00 N ATOM 267 CA LEU A 20 78.887 2.931 -5.342 1.00 0.00 C ATOM 268 C LEU A 20 78.324 1.533 -5.157 1.00 0.00 C ATOM 269 O LEU A 20 77.429 1.301 -4.368 1.00 0.00 O ATOM 270 CB LEU A 20 80.356 2.980 -4.919 1.00 0.00 C ATOM 271 CG LEU A 20 80.466 2.878 -3.396 1.00 0.00 C ATOM 272 CD1 LEU A 20 80.015 1.490 -2.935 1.00 0.00 C ATOM 273 CD2 LEU A 20 81.920 3.098 -2.984 1.00 0.00 C ATOM 0 H LEU A 20 77.697 3.485 -3.658 1.00 0.00 H new ATOM 0 HA LEU A 20 78.760 3.184 -6.395 1.00 0.00 H new ATOM 0 HB2 LEU A 20 80.905 2.163 -5.387 1.00 0.00 H new ATOM 0 HB3 LEU A 20 80.811 3.909 -5.263 1.00 0.00 H new ATOM 0 HG LEU A 20 79.830 3.634 -2.935 1.00 0.00 H new ATOM 0 HD11 LEU A 20 80.095 1.423 -1.850 1.00 0.00 H new ATOM 0 HD12 LEU A 20 78.979 1.326 -3.233 1.00 0.00 H new ATOM 0 HD13 LEU A 20 80.649 0.731 -3.393 1.00 0.00 H new ATOM 0 HD21 LEU A 20 82.006 3.027 -1.900 1.00 0.00 H new ATOM 0 HD22 LEU A 20 82.549 2.338 -3.448 1.00 0.00 H new ATOM 0 HD23 LEU A 20 82.245 4.086 -3.309 1.00 0.00 H new ATOM 285 N PHE A 21 78.849 0.601 -5.888 1.00 0.00 N ATOM 286 CA PHE A 21 78.362 -0.793 -5.782 1.00 0.00 C ATOM 287 C PHE A 21 79.362 -1.627 -4.980 1.00 0.00 C ATOM 288 O PHE A 21 80.521 -1.281 -4.863 1.00 0.00 O ATOM 289 CB PHE A 21 78.279 -1.269 -7.227 1.00 0.00 C ATOM 290 CG PHE A 21 76.994 -2.031 -7.444 1.00 0.00 C ATOM 291 CD1 PHE A 21 76.802 -3.279 -6.841 1.00 0.00 C ATOM 292 CD2 PHE A 21 75.988 -1.483 -8.252 1.00 0.00 C ATOM 293 CE1 PHE A 21 75.605 -3.979 -7.047 1.00 0.00 C ATOM 294 CE2 PHE A 21 74.793 -2.183 -8.456 1.00 0.00 C ATOM 295 CZ PHE A 21 74.603 -3.431 -7.853 1.00 0.00 C ATOM 0 H PHE A 21 79.602 0.746 -6.561 1.00 0.00 H new ATOM 0 HA PHE A 21 77.403 -0.880 -5.270 1.00 0.00 H new ATOM 0 HB2 PHE A 21 78.324 -0.415 -7.903 1.00 0.00 H new ATOM 0 HB3 PHE A 21 79.133 -1.905 -7.459 1.00 0.00 H new ATOM 0 HD1 PHE A 21 77.575 -3.703 -6.217 1.00 0.00 H new ATOM 0 HD2 PHE A 21 76.135 -0.520 -8.718 1.00 0.00 H new ATOM 0 HE1 PHE A 21 75.457 -4.943 -6.582 1.00 0.00 H new ATOM 0 HE2 PHE A 21 74.018 -1.760 -9.078 1.00 0.00 H new ATOM 0 HZ PHE A 21 73.681 -3.972 -8.010 1.00 0.00 H new ATOM 305 N ILE A 22 78.922 -2.714 -4.423 1.00 0.00 N ATOM 306 CA ILE A 22 79.842 -3.567 -3.622 1.00 0.00 C ATOM 307 C ILE A 22 79.416 -5.027 -3.745 1.00 0.00 C ATOM 308 O ILE A 22 78.270 -5.321 -3.998 1.00 0.00 O ATOM 309 CB ILE A 22 79.681 -3.066 -2.183 1.00 0.00 C ATOM 310 CG1 ILE A 22 80.503 -1.789 -1.996 1.00 0.00 C ATOM 311 CG2 ILE A 22 80.168 -4.130 -1.196 1.00 0.00 C ATOM 312 CD1 ILE A 22 80.520 -1.406 -0.515 1.00 0.00 C ATOM 0 H ILE A 22 77.962 -3.052 -4.486 1.00 0.00 H new ATOM 0 HA ILE A 22 80.879 -3.508 -3.953 1.00 0.00 H new ATOM 0 HB ILE A 22 78.627 -2.860 -1.994 1.00 0.00 H new ATOM 0 HG12 ILE A 22 81.521 -1.943 -2.355 1.00 0.00 H new ATOM 0 HG13 ILE A 22 80.076 -0.979 -2.587 1.00 0.00 H new ATOM 0 HG21 ILE A 22 80.049 -3.763 -0.177 1.00 0.00 H new ATOM 0 HG22 ILE A 22 79.583 -5.040 -1.324 1.00 0.00 H new ATOM 0 HG23 ILE A 22 81.220 -4.346 -1.383 1.00 0.00 H new ATOM 0 HD11 ILE A 22 81.105 -0.496 -0.381 1.00 0.00 H new ATOM 0 HD12 ILE A 22 79.500 -1.235 -0.172 1.00 0.00 H new ATOM 0 HD13 ILE A 22 80.967 -2.214 0.065 1.00 0.00 H new ATOM 324 N GLY A 23 80.322 -5.945 -3.573 1.00 0.00 N ATOM 325 CA GLY A 23 79.937 -7.376 -3.687 1.00 0.00 C ATOM 326 C GLY A 23 80.735 -8.210 -2.687 1.00 0.00 C ATOM 327 O GLY A 23 81.328 -7.691 -1.762 1.00 0.00 O ATOM 0 H GLY A 23 81.304 -5.769 -3.360 1.00 0.00 H new ATOM 0 HA2 GLY A 23 78.869 -7.490 -3.499 1.00 0.00 H new ATOM 0 HA3 GLY A 23 80.122 -7.732 -4.700 1.00 0.00 H new ATOM 331 N ASN A 24 80.743 -9.505 -2.861 1.00 0.00 N ATOM 332 CA ASN A 24 81.491 -10.389 -1.917 1.00 0.00 C ATOM 333 C ASN A 24 80.764 -10.445 -0.572 1.00 0.00 C ATOM 334 O ASN A 24 81.375 -10.522 0.475 1.00 0.00 O ATOM 335 CB ASN A 24 82.871 -9.744 -1.758 1.00 0.00 C ATOM 336 CG ASN A 24 83.926 -10.836 -1.569 1.00 0.00 C ATOM 337 OD1 ASN A 24 84.391 -11.419 -2.529 1.00 0.00 O ATOM 338 ND2 ASN A 24 84.325 -11.139 -0.365 1.00 0.00 N ATOM 0 H ASN A 24 80.263 -9.991 -3.618 1.00 0.00 H new ATOM 0 HA ASN A 24 81.569 -11.412 -2.285 1.00 0.00 H new ATOM 0 HB2 ASN A 24 83.107 -9.144 -2.637 1.00 0.00 H new ATOM 0 HB3 ASN A 24 82.873 -9.070 -0.902 1.00 0.00 H new ATOM 0 HD21 ASN A 24 85.028 -11.866 -0.228 1.00 0.00 H new ATOM 0 HD22 ASN A 24 83.934 -10.649 0.440 1.00 0.00 H new ATOM 345 N LEU A 25 79.460 -10.406 -0.596 1.00 0.00 N ATOM 346 CA LEU A 25 78.685 -10.455 0.677 1.00 0.00 C ATOM 347 C LEU A 25 78.470 -11.905 1.108 1.00 0.00 C ATOM 348 O LEU A 25 78.028 -12.737 0.341 1.00 0.00 O ATOM 349 CB LEU A 25 77.348 -9.788 0.354 1.00 0.00 C ATOM 350 CG LEU A 25 77.520 -8.268 0.338 1.00 0.00 C ATOM 351 CD1 LEU A 25 77.921 -7.784 1.732 1.00 0.00 C ATOM 352 CD2 LEU A 25 78.609 -7.885 -0.667 1.00 0.00 C ATOM 0 H LEU A 25 78.896 -10.342 -1.444 1.00 0.00 H new ATOM 0 HA LEU A 25 79.203 -9.954 1.495 1.00 0.00 H new ATOM 0 HB2 LEU A 25 76.983 -10.132 -0.614 1.00 0.00 H new ATOM 0 HB3 LEU A 25 76.601 -10.071 1.095 1.00 0.00 H new ATOM 0 HG LEU A 25 76.579 -7.801 0.048 1.00 0.00 H new ATOM 0 HD11 LEU A 25 78.043 -6.701 1.720 1.00 0.00 H new ATOM 0 HD12 LEU A 25 77.145 -8.053 2.448 1.00 0.00 H new ATOM 0 HD13 LEU A 25 78.861 -8.252 2.023 1.00 0.00 H new ATOM 0 HD21 LEU A 25 78.730 -6.802 -0.677 1.00 0.00 H new ATOM 0 HD22 LEU A 25 79.551 -8.353 -0.379 1.00 0.00 H new ATOM 0 HD23 LEU A 25 78.323 -8.227 -1.662 1.00 0.00 H new ATOM 364 N ASN A 26 78.780 -12.210 2.335 1.00 0.00 N ATOM 365 CA ASN A 26 78.599 -13.601 2.834 1.00 0.00 C ATOM 366 C ASN A 26 77.190 -14.104 2.506 1.00 0.00 C ATOM 367 O ASN A 26 76.225 -13.697 3.122 1.00 0.00 O ATOM 368 CB ASN A 26 78.795 -13.491 4.344 1.00 0.00 C ATOM 369 CG ASN A 26 78.624 -14.869 4.986 1.00 0.00 C ATOM 370 OD1 ASN A 26 77.650 -15.551 4.739 1.00 0.00 O ATOM 371 ND2 ASN A 26 79.539 -15.310 5.806 1.00 0.00 N ATOM 0 H ASN A 26 79.153 -11.552 3.019 1.00 0.00 H new ATOM 0 HA ASN A 26 79.295 -14.305 2.377 1.00 0.00 H new ATOM 0 HB2 ASN A 26 79.787 -13.097 4.564 1.00 0.00 H new ATOM 0 HB3 ASN A 26 78.073 -12.791 4.764 1.00 0.00 H new ATOM 0 HD21 ASN A 26 79.436 -16.228 6.239 1.00 0.00 H new ATOM 0 HD22 ASN A 26 80.357 -14.737 6.013 1.00 0.00 H new ATOM 378 N PRO A 27 77.123 -14.979 1.539 1.00 0.00 N ATOM 379 CA PRO A 27 75.822 -15.551 1.116 1.00 0.00 C ATOM 380 C PRO A 27 75.324 -16.570 2.146 1.00 0.00 C ATOM 381 O PRO A 27 74.157 -16.905 2.188 1.00 0.00 O ATOM 382 CB PRO A 27 76.147 -16.235 -0.209 1.00 0.00 C ATOM 383 CG PRO A 27 77.610 -16.544 -0.140 1.00 0.00 C ATOM 384 CD PRO A 27 78.244 -15.511 0.756 1.00 0.00 C ATOM 0 HA PRO A 27 75.035 -14.803 1.024 1.00 0.00 H new ATOM 0 HB2 PRO A 27 75.558 -17.143 -0.339 1.00 0.00 H new ATOM 0 HB3 PRO A 27 75.921 -15.585 -1.054 1.00 0.00 H new ATOM 0 HG2 PRO A 27 77.773 -17.547 0.255 1.00 0.00 H new ATOM 0 HG3 PRO A 27 78.056 -16.516 -1.134 1.00 0.00 H new ATOM 0 HD2 PRO A 27 79.004 -15.954 1.399 1.00 0.00 H new ATOM 0 HD3 PRO A 27 78.733 -14.728 0.177 1.00 0.00 H new ATOM 392 N ASN A 28 76.201 -17.065 2.977 1.00 0.00 N ATOM 393 CA ASN A 28 75.776 -18.062 4.002 1.00 0.00 C ATOM 394 C ASN A 28 75.110 -17.353 5.183 1.00 0.00 C ATOM 395 O ASN A 28 74.431 -17.963 5.985 1.00 0.00 O ATOM 396 CB ASN A 28 77.067 -18.749 4.446 1.00 0.00 C ATOM 397 CG ASN A 28 77.302 -19.996 3.590 1.00 0.00 C ATOM 398 OD1 ASN A 28 76.521 -20.925 3.623 1.00 0.00 O ATOM 399 ND2 ASN A 28 78.352 -20.054 2.819 1.00 0.00 N ATOM 0 H ASN A 28 77.192 -16.823 2.991 1.00 0.00 H new ATOM 0 HA ASN A 28 75.051 -18.775 3.610 1.00 0.00 H new ATOM 0 HB2 ASN A 28 77.909 -18.063 4.348 1.00 0.00 H new ATOM 0 HB3 ASN A 28 77.002 -19.024 5.499 1.00 0.00 H new ATOM 0 HD21 ASN A 28 78.517 -20.880 2.244 1.00 0.00 H new ATOM 0 HD22 ASN A 28 79.008 -19.274 2.791 1.00 0.00 H new ATOM 406 N LYS A 29 75.297 -16.068 5.291 1.00 0.00 N ATOM 407 CA LYS A 29 74.675 -15.312 6.414 1.00 0.00 C ATOM 408 C LYS A 29 73.502 -14.482 5.893 1.00 0.00 C ATOM 409 O LYS A 29 72.916 -14.788 4.874 1.00 0.00 O ATOM 410 CB LYS A 29 75.786 -14.403 6.940 1.00 0.00 C ATOM 411 CG LYS A 29 76.108 -14.775 8.389 1.00 0.00 C ATOM 412 CD LYS A 29 74.886 -14.504 9.269 1.00 0.00 C ATOM 413 CE LYS A 29 75.211 -14.869 10.720 1.00 0.00 C ATOM 414 NZ LYS A 29 74.122 -15.796 11.135 1.00 0.00 N ATOM 0 H LYS A 29 75.855 -15.506 4.648 1.00 0.00 H new ATOM 0 HA LYS A 29 74.284 -15.966 7.193 1.00 0.00 H new ATOM 0 HB2 LYS A 29 76.677 -14.505 6.321 1.00 0.00 H new ATOM 0 HB3 LYS A 29 75.475 -13.360 6.882 1.00 0.00 H new ATOM 0 HG2 LYS A 29 76.389 -15.826 8.452 1.00 0.00 H new ATOM 0 HG3 LYS A 29 76.960 -14.196 8.744 1.00 0.00 H new ATOM 0 HD2 LYS A 29 74.602 -13.454 9.202 1.00 0.00 H new ATOM 0 HD3 LYS A 29 74.035 -15.088 8.918 1.00 0.00 H new ATOM 0 HE2 LYS A 29 76.188 -15.347 10.798 1.00 0.00 H new ATOM 0 HE3 LYS A 29 75.238 -13.983 11.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 74.274 -16.091 12.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 73.205 -15.312 11.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 74.125 -16.633 10.518 1.00 0.00 H new ATOM 428 N SER A 30 73.159 -13.433 6.582 1.00 0.00 N ATOM 429 CA SER A 30 72.027 -12.582 6.121 1.00 0.00 C ATOM 430 C SER A 30 72.557 -11.302 5.482 1.00 0.00 C ATOM 431 O SER A 30 73.602 -10.797 5.849 1.00 0.00 O ATOM 432 CB SER A 30 71.236 -12.248 7.380 1.00 0.00 C ATOM 433 OG SER A 30 71.143 -13.403 8.201 1.00 0.00 O ATOM 0 H SER A 30 73.612 -13.127 7.443 1.00 0.00 H new ATOM 0 HA SER A 30 71.415 -13.089 5.375 1.00 0.00 H new ATOM 0 HB2 SER A 30 71.724 -11.440 7.925 1.00 0.00 H new ATOM 0 HB3 SER A 30 70.239 -11.897 7.114 1.00 0.00 H new ATOM 0 HG SER A 30 70.636 -13.188 9.012 1.00 0.00 H new ATOM 439 N VAL A 31 71.846 -10.767 4.532 1.00 0.00 N ATOM 440 CA VAL A 31 72.317 -9.518 3.882 1.00 0.00 C ATOM 441 C VAL A 31 72.208 -8.350 4.863 1.00 0.00 C ATOM 442 O VAL A 31 73.098 -7.532 4.969 1.00 0.00 O ATOM 443 CB VAL A 31 71.393 -9.307 2.682 1.00 0.00 C ATOM 444 CG1 VAL A 31 72.048 -8.330 1.705 1.00 0.00 C ATOM 445 CG2 VAL A 31 71.153 -10.645 1.976 1.00 0.00 C ATOM 0 H VAL A 31 70.964 -11.139 4.180 1.00 0.00 H new ATOM 0 HA VAL A 31 73.360 -9.582 3.572 1.00 0.00 H new ATOM 0 HB VAL A 31 70.441 -8.902 3.025 1.00 0.00 H new ATOM 0 HG11 VAL A 31 71.392 -8.177 0.848 1.00 0.00 H new ATOM 0 HG12 VAL A 31 72.220 -7.377 2.204 1.00 0.00 H new ATOM 0 HG13 VAL A 31 73.000 -8.739 1.365 1.00 0.00 H new ATOM 0 HG21 VAL A 31 70.494 -10.492 1.121 1.00 0.00 H new ATOM 0 HG22 VAL A 31 72.105 -11.051 1.633 1.00 0.00 H new ATOM 0 HG23 VAL A 31 70.689 -11.345 2.671 1.00 0.00 H new ATOM 455 N ALA A 32 71.127 -8.274 5.590 1.00 0.00 N ATOM 456 CA ALA A 32 70.970 -7.164 6.573 1.00 0.00 C ATOM 457 C ALA A 32 72.144 -7.180 7.553 1.00 0.00 C ATOM 458 O ALA A 32 72.612 -6.151 7.997 1.00 0.00 O ATOM 459 CB ALA A 32 69.657 -7.454 7.297 1.00 0.00 C ATOM 0 H ALA A 32 70.347 -8.930 5.546 1.00 0.00 H new ATOM 0 HA ALA A 32 70.956 -6.182 6.100 1.00 0.00 H new ATOM 0 HB1 ALA A 32 69.472 -6.678 8.039 1.00 0.00 H new ATOM 0 HB2 ALA A 32 68.840 -7.469 6.576 1.00 0.00 H new ATOM 0 HB3 ALA A 32 69.721 -8.422 7.793 1.00 0.00 H new ATOM 465 N GLU A 33 72.626 -8.345 7.885 1.00 0.00 N ATOM 466 CA GLU A 33 73.776 -8.437 8.827 1.00 0.00 C ATOM 467 C GLU A 33 75.032 -7.871 8.160 1.00 0.00 C ATOM 468 O GLU A 33 75.751 -7.080 8.740 1.00 0.00 O ATOM 469 CB GLU A 33 73.935 -9.932 9.112 1.00 0.00 C ATOM 470 CG GLU A 33 72.682 -10.460 9.813 1.00 0.00 C ATOM 471 CD GLU A 33 72.614 -9.896 11.233 1.00 0.00 C ATOM 472 OE1 GLU A 33 72.138 -8.783 11.386 1.00 0.00 O ATOM 473 OE2 GLU A 33 73.040 -10.586 12.144 1.00 0.00 O ATOM 0 H GLU A 33 72.273 -9.239 7.544 1.00 0.00 H new ATOM 0 HA GLU A 33 73.618 -7.870 9.744 1.00 0.00 H new ATOM 0 HB2 GLU A 33 74.098 -10.474 8.181 1.00 0.00 H new ATOM 0 HB3 GLU A 33 74.812 -10.102 9.737 1.00 0.00 H new ATOM 0 HG2 GLU A 33 71.792 -10.173 9.254 1.00 0.00 H new ATOM 0 HG3 GLU A 33 72.702 -11.549 9.844 1.00 0.00 H new ATOM 480 N LEU A 34 75.293 -8.252 6.937 1.00 0.00 N ATOM 481 CA LEU A 34 76.483 -7.723 6.233 1.00 0.00 C ATOM 482 C LEU A 34 76.433 -6.202 6.258 1.00 0.00 C ATOM 483 O LEU A 34 77.446 -5.533 6.314 1.00 0.00 O ATOM 484 CB LEU A 34 76.345 -8.243 4.804 1.00 0.00 C ATOM 485 CG LEU A 34 76.821 -9.694 4.735 1.00 0.00 C ATOM 486 CD1 LEU A 34 75.884 -10.494 3.828 1.00 0.00 C ATOM 487 CD2 LEU A 34 78.240 -9.737 4.167 1.00 0.00 C ATOM 0 H LEU A 34 74.728 -8.909 6.399 1.00 0.00 H new ATOM 0 HA LEU A 34 77.426 -8.030 6.685 1.00 0.00 H new ATOM 0 HB2 LEU A 34 75.306 -8.175 4.481 1.00 0.00 H new ATOM 0 HB3 LEU A 34 76.931 -7.625 4.124 1.00 0.00 H new ATOM 0 HG LEU A 34 76.816 -10.127 5.735 1.00 0.00 H new ATOM 0 HD11 LEU A 34 76.222 -11.529 3.778 1.00 0.00 H new ATOM 0 HD12 LEU A 34 74.872 -10.462 4.232 1.00 0.00 H new ATOM 0 HD13 LEU A 34 75.889 -10.062 2.827 1.00 0.00 H new ATOM 0 HD21 LEU A 34 78.581 -10.771 4.117 1.00 0.00 H new ATOM 0 HD22 LEU A 34 78.245 -9.305 3.166 1.00 0.00 H new ATOM 0 HD23 LEU A 34 78.908 -9.166 4.812 1.00 0.00 H new ATOM 499 N LYS A 35 75.251 -5.653 6.229 1.00 0.00 N ATOM 500 CA LYS A 35 75.123 -4.175 6.264 1.00 0.00 C ATOM 501 C LYS A 35 75.644 -3.659 7.604 1.00 0.00 C ATOM 502 O LYS A 35 76.567 -2.872 7.665 1.00 0.00 O ATOM 503 CB LYS A 35 73.628 -3.893 6.117 1.00 0.00 C ATOM 504 CG LYS A 35 73.138 -4.418 4.766 1.00 0.00 C ATOM 505 CD LYS A 35 73.854 -3.674 3.637 1.00 0.00 C ATOM 506 CE LYS A 35 74.470 -4.685 2.668 1.00 0.00 C ATOM 507 NZ LYS A 35 75.447 -3.900 1.863 1.00 0.00 N ATOM 0 H LYS A 35 74.370 -6.166 6.183 1.00 0.00 H new ATOM 0 HA LYS A 35 75.695 -3.683 5.477 1.00 0.00 H new ATOM 0 HB2 LYS A 35 73.076 -4.371 6.926 1.00 0.00 H new ATOM 0 HB3 LYS A 35 73.440 -2.822 6.192 1.00 0.00 H new ATOM 0 HG2 LYS A 35 73.330 -5.488 4.689 1.00 0.00 H new ATOM 0 HG3 LYS A 35 72.060 -4.280 4.680 1.00 0.00 H new ATOM 0 HD2 LYS A 35 73.151 -3.030 3.109 1.00 0.00 H new ATOM 0 HD3 LYS A 35 74.630 -3.029 4.048 1.00 0.00 H new ATOM 0 HE2 LYS A 35 74.962 -5.497 3.204 1.00 0.00 H new ATOM 0 HE3 LYS A 35 73.709 -5.138 2.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 76.293 -4.478 1.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 75.013 -3.631 0.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 75.718 -3.043 2.385 1.00 0.00 H new ATOM 521 N VAL A 36 75.066 -4.117 8.681 1.00 0.00 N ATOM 522 CA VAL A 36 75.536 -3.679 10.024 1.00 0.00 C ATOM 523 C VAL A 36 77.037 -3.913 10.135 1.00 0.00 C ATOM 524 O VAL A 36 77.749 -3.141 10.736 1.00 0.00 O ATOM 525 CB VAL A 36 74.790 -4.570 11.007 1.00 0.00 C ATOM 526 CG1 VAL A 36 75.046 -4.086 12.436 1.00 0.00 C ATOM 527 CG2 VAL A 36 73.290 -4.516 10.710 1.00 0.00 C ATOM 0 H VAL A 36 74.288 -4.776 8.688 1.00 0.00 H new ATOM 0 HA VAL A 36 75.352 -2.621 10.212 1.00 0.00 H new ATOM 0 HB VAL A 36 75.144 -5.596 10.904 1.00 0.00 H new ATOM 0 HG11 VAL A 36 74.511 -4.725 13.138 1.00 0.00 H new ATOM 0 HG12 VAL A 36 76.114 -4.128 12.649 1.00 0.00 H new ATOM 0 HG13 VAL A 36 74.695 -3.059 12.541 1.00 0.00 H new ATOM 0 HG21 VAL A 36 72.756 -5.154 11.414 1.00 0.00 H new ATOM 0 HG22 VAL A 36 72.936 -3.490 10.810 1.00 0.00 H new ATOM 0 HG23 VAL A 36 73.108 -4.865 9.694 1.00 0.00 H new ATOM 537 N ALA A 37 77.527 -4.968 9.546 1.00 0.00 N ATOM 538 CA ALA A 37 78.988 -5.228 9.609 1.00 0.00 C ATOM 539 C ALA A 37 79.714 -4.094 8.898 1.00 0.00 C ATOM 540 O ALA A 37 80.741 -3.625 9.338 1.00 0.00 O ATOM 541 CB ALA A 37 79.197 -6.554 8.878 1.00 0.00 C ATOM 0 H ALA A 37 76.981 -5.656 9.027 1.00 0.00 H new ATOM 0 HA ALA A 37 79.370 -5.282 10.628 1.00 0.00 H new ATOM 0 HB1 ALA A 37 80.256 -6.810 8.885 1.00 0.00 H new ATOM 0 HB2 ALA A 37 78.631 -7.339 9.379 1.00 0.00 H new ATOM 0 HB3 ALA A 37 78.853 -6.460 7.848 1.00 0.00 H new ATOM 547 N ILE A 38 79.163 -3.634 7.812 1.00 0.00 N ATOM 548 CA ILE A 38 79.797 -2.510 7.075 1.00 0.00 C ATOM 549 C ILE A 38 79.490 -1.199 7.799 1.00 0.00 C ATOM 550 O ILE A 38 80.241 -0.246 7.726 1.00 0.00 O ATOM 551 CB ILE A 38 79.155 -2.526 5.688 1.00 0.00 C ATOM 552 CG1 ILE A 38 79.587 -3.791 4.943 1.00 0.00 C ATOM 553 CG2 ILE A 38 79.607 -1.294 4.902 1.00 0.00 C ATOM 554 CD1 ILE A 38 78.627 -4.054 3.782 1.00 0.00 C ATOM 0 H ILE A 38 78.299 -3.989 7.402 1.00 0.00 H new ATOM 0 HA ILE A 38 80.881 -2.604 7.011 1.00 0.00 H new ATOM 0 HB ILE A 38 78.070 -2.514 5.789 1.00 0.00 H new ATOM 0 HG12 ILE A 38 80.604 -3.675 4.568 1.00 0.00 H new ATOM 0 HG13 ILE A 38 79.593 -4.642 5.624 1.00 0.00 H new ATOM 0 HG21 ILE A 38 79.149 -1.305 3.913 1.00 0.00 H new ATOM 0 HG22 ILE A 38 79.302 -0.392 5.433 1.00 0.00 H new ATOM 0 HG23 ILE A 38 80.692 -1.306 4.800 1.00 0.00 H new ATOM 0 HD11 ILE A 38 78.935 -4.955 3.252 1.00 0.00 H new ATOM 0 HD12 ILE A 38 77.617 -4.188 4.169 1.00 0.00 H new ATOM 0 HD13 ILE A 38 78.644 -3.206 3.097 1.00 0.00 H new ATOM 566 N SER A 39 78.396 -1.147 8.513 1.00 0.00 N ATOM 567 CA SER A 39 78.057 0.101 9.253 1.00 0.00 C ATOM 568 C SER A 39 78.883 0.161 10.535 1.00 0.00 C ATOM 569 O SER A 39 79.221 1.220 11.029 1.00 0.00 O ATOM 570 CB SER A 39 76.568 -0.016 9.573 1.00 0.00 C ATOM 571 OG SER A 39 75.816 0.142 8.377 1.00 0.00 O ATOM 0 H SER A 39 77.727 -1.910 8.615 1.00 0.00 H new ATOM 0 HA SER A 39 78.270 1.005 8.682 1.00 0.00 H new ATOM 0 HB2 SER A 39 76.356 -0.986 10.024 1.00 0.00 H new ATOM 0 HB3 SER A 39 76.280 0.743 10.300 1.00 0.00 H new ATOM 0 HG SER A 39 75.842 -0.691 7.862 1.00 0.00 H new ATOM 577 N GLU A 40 79.223 -0.978 11.065 1.00 0.00 N ATOM 578 CA GLU A 40 80.037 -1.018 12.305 1.00 0.00 C ATOM 579 C GLU A 40 81.511 -0.861 11.950 1.00 0.00 C ATOM 580 O GLU A 40 82.262 -0.193 12.632 1.00 0.00 O ATOM 581 CB GLU A 40 79.766 -2.393 12.896 1.00 0.00 C ATOM 582 CG GLU A 40 79.615 -2.281 14.413 1.00 0.00 C ATOM 583 CD GLU A 40 80.999 -2.204 15.061 1.00 0.00 C ATOM 584 OE1 GLU A 40 81.726 -1.275 14.751 1.00 0.00 O ATOM 585 OE2 GLU A 40 81.308 -3.076 15.857 1.00 0.00 O ATOM 0 H GLU A 40 78.969 -1.891 10.687 1.00 0.00 H new ATOM 0 HA GLU A 40 79.789 -0.221 13.006 1.00 0.00 H new ATOM 0 HB2 GLU A 40 78.860 -2.814 12.461 1.00 0.00 H new ATOM 0 HB3 GLU A 40 80.583 -3.072 12.651 1.00 0.00 H new ATOM 0 HG2 GLU A 40 79.034 -1.395 14.666 1.00 0.00 H new ATOM 0 HG3 GLU A 40 79.069 -3.142 14.799 1.00 0.00 H new ATOM 592 N LEU A 41 81.923 -1.460 10.870 1.00 0.00 N ATOM 593 CA LEU A 41 83.342 -1.336 10.449 1.00 0.00 C ATOM 594 C LEU A 41 83.610 0.103 10.022 1.00 0.00 C ATOM 595 O LEU A 41 84.696 0.623 10.193 1.00 0.00 O ATOM 596 CB LEU A 41 83.496 -2.295 9.274 1.00 0.00 C ATOM 597 CG LEU A 41 84.862 -2.976 9.352 1.00 0.00 C ATOM 598 CD1 LEU A 41 85.967 -1.938 9.159 1.00 0.00 C ATOM 599 CD2 LEU A 41 85.024 -3.647 10.719 1.00 0.00 C ATOM 0 H LEU A 41 81.337 -2.031 10.261 1.00 0.00 H new ATOM 0 HA LEU A 41 84.046 -1.576 11.246 1.00 0.00 H new ATOM 0 HB2 LEU A 41 82.703 -3.042 9.294 1.00 0.00 H new ATOM 0 HB3 LEU A 41 83.400 -1.753 8.333 1.00 0.00 H new ATOM 0 HG LEU A 41 84.933 -3.729 8.567 1.00 0.00 H new ATOM 0 HD11 LEU A 41 86.939 -2.427 9.215 1.00 0.00 H new ATOM 0 HD12 LEU A 41 85.855 -1.464 8.184 1.00 0.00 H new ATOM 0 HD13 LEU A 41 85.896 -1.181 9.940 1.00 0.00 H new ATOM 0 HD21 LEU A 41 85.999 -4.132 10.773 1.00 0.00 H new ATOM 0 HD22 LEU A 41 84.949 -2.895 11.505 1.00 0.00 H new ATOM 0 HD23 LEU A 41 84.240 -4.392 10.854 1.00 0.00 H new ATOM 611 N PHE A 42 82.618 0.759 9.488 1.00 0.00 N ATOM 612 CA PHE A 42 82.798 2.168 9.074 1.00 0.00 C ATOM 613 C PHE A 42 82.553 3.067 10.283 1.00 0.00 C ATOM 614 O PHE A 42 83.015 4.189 10.346 1.00 0.00 O ATOM 615 CB PHE A 42 81.729 2.393 8.012 1.00 0.00 C ATOM 616 CG PHE A 42 82.162 1.769 6.705 1.00 0.00 C ATOM 617 CD1 PHE A 42 82.482 0.407 6.648 1.00 0.00 C ATOM 618 CD2 PHE A 42 82.243 2.554 5.549 1.00 0.00 C ATOM 619 CE1 PHE A 42 82.882 -0.169 5.436 1.00 0.00 C ATOM 620 CE2 PHE A 42 82.643 1.979 4.338 1.00 0.00 C ATOM 621 CZ PHE A 42 82.962 0.617 4.282 1.00 0.00 C ATOM 0 H PHE A 42 81.688 0.374 9.322 1.00 0.00 H new ATOM 0 HA PHE A 42 83.796 2.387 8.694 1.00 0.00 H new ATOM 0 HB2 PHE A 42 80.784 1.958 8.337 1.00 0.00 H new ATOM 0 HB3 PHE A 42 81.558 3.461 7.876 1.00 0.00 H new ATOM 0 HD1 PHE A 42 82.420 -0.200 7.539 1.00 0.00 H new ATOM 0 HD2 PHE A 42 81.996 3.605 5.592 1.00 0.00 H new ATOM 0 HE1 PHE A 42 83.129 -1.220 5.392 1.00 0.00 H new ATOM 0 HE2 PHE A 42 82.706 2.586 3.447 1.00 0.00 H new ATOM 0 HZ PHE A 42 83.270 0.173 3.347 1.00 0.00 H new ATOM 631 N ALA A 43 81.833 2.568 11.254 1.00 0.00 N ATOM 632 CA ALA A 43 81.561 3.377 12.474 1.00 0.00 C ATOM 633 C ALA A 43 82.814 3.403 13.347 1.00 0.00 C ATOM 634 O ALA A 43 83.096 4.370 14.026 1.00 0.00 O ATOM 635 CB ALA A 43 80.420 2.653 13.189 1.00 0.00 C ATOM 0 H ALA A 43 81.422 1.634 11.253 1.00 0.00 H new ATOM 0 HA ALA A 43 81.296 4.410 12.247 1.00 0.00 H new ATOM 0 HB1 ALA A 43 80.162 3.191 14.101 1.00 0.00 H new ATOM 0 HB2 ALA A 43 79.549 2.610 12.535 1.00 0.00 H new ATOM 0 HB3 ALA A 43 80.734 1.640 13.442 1.00 0.00 H new ATOM 641 N LYS A 44 83.577 2.345 13.314 1.00 0.00 N ATOM 642 CA LYS A 44 84.826 2.297 14.120 1.00 0.00 C ATOM 643 C LYS A 44 85.991 2.801 13.269 1.00 0.00 C ATOM 644 O LYS A 44 87.048 3.128 13.770 1.00 0.00 O ATOM 645 CB LYS A 44 85.016 0.822 14.478 1.00 0.00 C ATOM 646 CG LYS A 44 84.436 0.555 15.868 1.00 0.00 C ATOM 647 CD LYS A 44 84.519 -0.940 16.178 1.00 0.00 C ATOM 648 CE LYS A 44 84.248 -1.169 17.667 1.00 0.00 C ATOM 649 NZ LYS A 44 85.498 -1.781 18.197 1.00 0.00 N ATOM 0 H LYS A 44 83.387 1.509 12.761 1.00 0.00 H new ATOM 0 HA LYS A 44 84.778 2.919 15.014 1.00 0.00 H new ATOM 0 HB2 LYS A 44 84.522 0.191 13.739 1.00 0.00 H new ATOM 0 HB3 LYS A 44 86.075 0.566 14.459 1.00 0.00 H new ATOM 0 HG2 LYS A 44 84.986 1.124 16.618 1.00 0.00 H new ATOM 0 HG3 LYS A 44 83.399 0.889 15.911 1.00 0.00 H new ATOM 0 HD2 LYS A 44 83.793 -1.488 15.577 1.00 0.00 H new ATOM 0 HD3 LYS A 44 85.505 -1.323 15.914 1.00 0.00 H new ATOM 0 HE2 LYS A 44 84.021 -0.232 18.175 1.00 0.00 H new ATOM 0 HE3 LYS A 44 83.392 -1.828 17.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 85.389 -1.967 19.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 85.685 -2.675 17.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 86.294 -1.129 18.048 1.00 0.00 H new ATOM 663 N ASN A 45 85.795 2.875 11.980 1.00 0.00 N ATOM 664 CA ASN A 45 86.876 3.366 11.087 1.00 0.00 C ATOM 665 C ASN A 45 86.875 4.893 11.074 1.00 0.00 C ATOM 666 O ASN A 45 87.900 5.512 10.868 1.00 0.00 O ATOM 667 CB ASN A 45 86.520 2.817 9.707 1.00 0.00 C ATOM 668 CG ASN A 45 87.285 1.516 9.463 1.00 0.00 C ATOM 669 OD1 ASN A 45 87.977 1.380 8.473 1.00 0.00 O ATOM 670 ND2 ASN A 45 87.189 0.547 10.331 1.00 0.00 N ATOM 0 H ASN A 45 84.929 2.615 11.508 1.00 0.00 H new ATOM 0 HA ASN A 45 87.867 3.046 11.408 1.00 0.00 H new ATOM 0 HB2 ASN A 45 85.447 2.638 9.641 1.00 0.00 H new ATOM 0 HB3 ASN A 45 86.769 3.548 8.938 1.00 0.00 H new ATOM 0 HD21 ASN A 45 87.695 -0.326 10.179 1.00 0.00 H new ATOM 0 HD22 ASN A 45 86.608 0.662 11.162 1.00 0.00 H new ATOM 677 N ASP A 46 85.711 5.483 11.282 1.00 0.00 N ATOM 678 CA ASP A 46 85.534 6.977 11.292 1.00 0.00 C ATOM 679 C ASP A 46 84.885 7.394 9.985 1.00 0.00 C ATOM 680 O ASP A 46 85.084 8.485 9.489 1.00 0.00 O ATOM 681 CB ASP A 46 86.912 7.629 11.449 1.00 0.00 C ATOM 682 CG ASP A 46 86.742 9.083 11.893 1.00 0.00 C ATOM 683 OD1 ASP A 46 85.669 9.414 12.372 1.00 0.00 O ATOM 684 OD2 ASP A 46 87.687 9.841 11.747 1.00 0.00 O ATOM 0 H ASP A 46 84.847 4.968 11.451 1.00 0.00 H new ATOM 0 HA ASP A 46 84.898 7.293 12.119 1.00 0.00 H new ATOM 0 HB2 ASP A 46 87.504 7.081 12.182 1.00 0.00 H new ATOM 0 HB3 ASP A 46 87.455 7.587 10.505 1.00 0.00 H new ATOM 689 N LEU A 47 84.098 6.521 9.432 1.00 0.00 N ATOM 690 CA LEU A 47 83.411 6.836 8.161 1.00 0.00 C ATOM 691 C LEU A 47 81.986 7.303 8.463 1.00 0.00 C ATOM 692 O LEU A 47 81.714 7.850 9.513 1.00 0.00 O ATOM 693 CB LEU A 47 83.428 5.517 7.382 1.00 0.00 C ATOM 694 CG LEU A 47 84.465 5.610 6.263 1.00 0.00 C ATOM 695 CD1 LEU A 47 85.863 5.693 6.876 1.00 0.00 C ATOM 696 CD2 LEU A 47 84.371 4.371 5.372 1.00 0.00 C ATOM 0 H LEU A 47 83.901 5.595 9.812 1.00 0.00 H new ATOM 0 HA LEU A 47 83.885 7.635 7.591 1.00 0.00 H new ATOM 0 HB2 LEU A 47 83.668 4.689 8.049 1.00 0.00 H new ATOM 0 HB3 LEU A 47 82.442 5.314 6.965 1.00 0.00 H new ATOM 0 HG LEU A 47 84.275 6.500 5.663 1.00 0.00 H new ATOM 0 HD11 LEU A 47 86.606 5.759 6.081 1.00 0.00 H new ATOM 0 HD12 LEU A 47 85.930 6.577 7.510 1.00 0.00 H new ATOM 0 HD13 LEU A 47 86.051 4.802 7.475 1.00 0.00 H new ATOM 0 HD21 LEU A 47 85.111 4.439 4.575 1.00 0.00 H new ATOM 0 HD22 LEU A 47 84.561 3.479 5.968 1.00 0.00 H new ATOM 0 HD23 LEU A 47 83.373 4.311 4.937 1.00 0.00 H new ATOM 708 N ALA A 48 81.078 7.096 7.561 1.00 0.00 N ATOM 709 CA ALA A 48 79.676 7.534 7.807 1.00 0.00 C ATOM 710 C ALA A 48 78.738 6.930 6.764 1.00 0.00 C ATOM 711 O ALA A 48 78.095 7.631 6.009 1.00 0.00 O ATOM 712 CB ALA A 48 79.706 9.058 7.686 1.00 0.00 C ATOM 0 H ALA A 48 81.241 6.643 6.662 1.00 0.00 H new ATOM 0 HA ALA A 48 79.311 7.211 8.782 1.00 0.00 H new ATOM 0 HB1 ALA A 48 78.706 9.456 7.855 1.00 0.00 H new ATOM 0 HB2 ALA A 48 80.390 9.469 8.429 1.00 0.00 H new ATOM 0 HB3 ALA A 48 80.044 9.337 6.688 1.00 0.00 H new ATOM 718 N VAL A 49 78.651 5.633 6.729 1.00 0.00 N ATOM 719 CA VAL A 49 77.758 4.972 5.758 1.00 0.00 C ATOM 720 C VAL A 49 76.374 5.605 5.831 1.00 0.00 C ATOM 721 O VAL A 49 75.721 5.603 6.855 1.00 0.00 O ATOM 722 CB VAL A 49 77.725 3.511 6.200 1.00 0.00 C ATOM 723 CG1 VAL A 49 79.044 2.834 5.824 1.00 0.00 C ATOM 724 CG2 VAL A 49 77.534 3.438 7.718 1.00 0.00 C ATOM 0 H VAL A 49 79.168 5.001 7.340 1.00 0.00 H new ATOM 0 HA VAL A 49 78.095 5.069 4.726 1.00 0.00 H new ATOM 0 HB VAL A 49 76.898 3.003 5.704 1.00 0.00 H new ATOM 0 HG11 VAL A 49 79.021 1.791 6.140 1.00 0.00 H new ATOM 0 HG12 VAL A 49 79.183 2.883 4.744 1.00 0.00 H new ATOM 0 HG13 VAL A 49 79.869 3.345 6.320 1.00 0.00 H new ATOM 0 HG21 VAL A 49 77.511 2.394 8.032 1.00 0.00 H new ATOM 0 HG22 VAL A 49 78.360 3.948 8.214 1.00 0.00 H new ATOM 0 HG23 VAL A 49 76.595 3.920 7.990 1.00 0.00 H new ATOM 734 N VAL A 50 75.944 6.167 4.748 1.00 0.00 N ATOM 735 CA VAL A 50 74.614 6.839 4.722 1.00 0.00 C ATOM 736 C VAL A 50 73.511 5.854 4.336 1.00 0.00 C ATOM 737 O VAL A 50 72.480 5.787 4.976 1.00 0.00 O ATOM 738 CB VAL A 50 74.741 7.937 3.663 1.00 0.00 C ATOM 739 CG1 VAL A 50 73.660 8.994 3.889 1.00 0.00 C ATOM 740 CG2 VAL A 50 76.117 8.598 3.773 1.00 0.00 C ATOM 0 H VAL A 50 76.457 6.194 3.867 1.00 0.00 H new ATOM 0 HA VAL A 50 74.346 7.238 5.700 1.00 0.00 H new ATOM 0 HB VAL A 50 74.623 7.496 2.673 1.00 0.00 H new ATOM 0 HG11 VAL A 50 73.752 9.775 3.134 1.00 0.00 H new ATOM 0 HG12 VAL A 50 72.676 8.530 3.814 1.00 0.00 H new ATOM 0 HG13 VAL A 50 73.780 9.431 4.880 1.00 0.00 H new ATOM 0 HG21 VAL A 50 76.207 9.380 3.019 1.00 0.00 H new ATOM 0 HG22 VAL A 50 76.232 9.036 4.765 1.00 0.00 H new ATOM 0 HG23 VAL A 50 76.894 7.850 3.614 1.00 0.00 H new ATOM 750 N ASP A 51 73.703 5.092 3.294 1.00 0.00 N ATOM 751 CA ASP A 51 72.634 4.130 2.893 1.00 0.00 C ATOM 752 C ASP A 51 73.230 2.805 2.412 1.00 0.00 C ATOM 753 O ASP A 51 73.911 2.742 1.409 1.00 0.00 O ATOM 754 CB ASP A 51 71.882 4.816 1.752 1.00 0.00 C ATOM 755 CG ASP A 51 71.659 6.292 2.094 1.00 0.00 C ATOM 756 OD1 ASP A 51 70.765 6.570 2.876 1.00 0.00 O ATOM 757 OD2 ASP A 51 72.387 7.117 1.566 1.00 0.00 O ATOM 0 H ASP A 51 74.539 5.091 2.710 1.00 0.00 H new ATOM 0 HA ASP A 51 71.983 3.889 3.733 1.00 0.00 H new ATOM 0 HB2 ASP A 51 72.450 4.729 0.826 1.00 0.00 H new ATOM 0 HB3 ASP A 51 70.924 4.322 1.586 1.00 0.00 H new ATOM 762 N VAL A 52 72.964 1.745 3.120 1.00 0.00 N ATOM 763 CA VAL A 52 73.490 0.418 2.718 1.00 0.00 C ATOM 764 C VAL A 52 72.370 -0.409 2.080 1.00 0.00 C ATOM 765 O VAL A 52 71.228 -0.342 2.489 1.00 0.00 O ATOM 766 CB VAL A 52 73.957 -0.224 4.022 1.00 0.00 C ATOM 767 CG1 VAL A 52 75.196 0.506 4.540 1.00 0.00 C ATOM 768 CG2 VAL A 52 72.841 -0.140 5.066 1.00 0.00 C ATOM 0 H VAL A 52 72.398 1.744 3.969 1.00 0.00 H new ATOM 0 HA VAL A 52 74.295 0.486 1.987 1.00 0.00 H new ATOM 0 HB VAL A 52 74.203 -1.270 3.839 1.00 0.00 H new ATOM 0 HG11 VAL A 52 75.527 0.046 5.471 1.00 0.00 H new ATOM 0 HG12 VAL A 52 75.993 0.441 3.799 1.00 0.00 H new ATOM 0 HG13 VAL A 52 74.953 1.553 4.720 1.00 0.00 H new ATOM 0 HG21 VAL A 52 73.177 -0.599 5.996 1.00 0.00 H new ATOM 0 HG22 VAL A 52 72.590 0.905 5.247 1.00 0.00 H new ATOM 0 HG23 VAL A 52 71.960 -0.666 4.700 1.00 0.00 H new ATOM 778 N ARG A 53 72.685 -1.185 1.083 1.00 0.00 N ATOM 779 CA ARG A 53 71.635 -2.012 0.423 1.00 0.00 C ATOM 780 C ARG A 53 72.241 -3.296 -0.143 1.00 0.00 C ATOM 781 O ARG A 53 73.444 -3.446 -0.223 1.00 0.00 O ATOM 782 CB ARG A 53 71.083 -1.139 -0.703 1.00 0.00 C ATOM 783 CG ARG A 53 69.559 -1.268 -0.748 1.00 0.00 C ATOM 784 CD ARG A 53 69.019 -0.528 -1.975 1.00 0.00 C ATOM 785 NE ARG A 53 69.312 -1.428 -3.125 1.00 0.00 N ATOM 786 CZ ARG A 53 69.201 -0.982 -4.346 1.00 0.00 C ATOM 787 NH1 ARG A 53 68.546 0.123 -4.581 1.00 0.00 N ATOM 788 NH2 ARG A 53 69.746 -1.639 -5.333 1.00 0.00 N ATOM 0 H ARG A 53 73.623 -1.284 0.695 1.00 0.00 H new ATOM 0 HA ARG A 53 70.856 -2.313 1.123 1.00 0.00 H new ATOM 0 HB2 ARG A 53 71.366 -0.099 -0.543 1.00 0.00 H new ATOM 0 HB3 ARG A 53 71.513 -1.443 -1.657 1.00 0.00 H new ATOM 0 HG2 ARG A 53 69.274 -2.319 -0.789 1.00 0.00 H new ATOM 0 HG3 ARG A 53 69.122 -0.855 0.161 1.00 0.00 H new ATOM 0 HD2 ARG A 53 67.949 -0.339 -1.884 1.00 0.00 H new ATOM 0 HD3 ARG A 53 69.504 0.440 -2.098 1.00 0.00 H new ATOM 0 HE ARG A 53 69.599 -2.392 -2.958 1.00 0.00 H new ATOM 0 HH11 ARG A 53 68.121 0.638 -3.810 1.00 0.00 H new ATOM 0 HH12 ARG A 53 68.459 0.471 -5.536 1.00 0.00 H new ATOM 0 HH21 ARG A 53 70.259 -2.501 -5.150 1.00 0.00 H new ATOM 0 HH22 ARG A 53 69.659 -1.290 -6.288 1.00 0.00 H new ATOM 802 N THR A 54 71.413 -4.224 -0.529 1.00 0.00 N ATOM 803 CA THR A 54 71.920 -5.503 -1.081 1.00 0.00 C ATOM 804 C THR A 54 72.114 -5.396 -2.596 1.00 0.00 C ATOM 805 O THR A 54 71.613 -4.494 -3.237 1.00 0.00 O ATOM 806 CB THR A 54 70.825 -6.513 -0.754 1.00 0.00 C ATOM 807 OG1 THR A 54 69.734 -6.332 -1.647 1.00 0.00 O ATOM 808 CG2 THR A 54 70.345 -6.314 0.687 1.00 0.00 C ATOM 0 H THR A 54 70.397 -4.147 -0.484 1.00 0.00 H new ATOM 0 HA THR A 54 72.887 -5.783 -0.664 1.00 0.00 H new ATOM 0 HB THR A 54 71.223 -7.522 -0.862 1.00 0.00 H new ATOM 0 HG1 THR A 54 69.030 -6.981 -1.439 1.00 0.00 H new ATOM 0 HG21 THR A 54 69.563 -7.039 0.913 1.00 0.00 H new ATOM 0 HG22 THR A 54 71.181 -6.456 1.372 1.00 0.00 H new ATOM 0 HG23 THR A 54 69.949 -5.305 0.803 1.00 0.00 H new ATOM 816 N GLY A 55 72.840 -6.317 -3.168 1.00 0.00 N ATOM 817 CA GLY A 55 73.074 -6.285 -4.639 1.00 0.00 C ATOM 818 C GLY A 55 72.823 -7.681 -5.217 1.00 0.00 C ATOM 819 O GLY A 55 73.369 -8.664 -4.751 1.00 0.00 O ATOM 0 H GLY A 55 73.283 -7.094 -2.677 1.00 0.00 H new ATOM 0 HA2 GLY A 55 72.411 -5.559 -5.109 1.00 0.00 H new ATOM 0 HA3 GLY A 55 74.095 -5.969 -4.850 1.00 0.00 H new ATOM 823 N THR A 56 71.996 -7.777 -6.223 1.00 0.00 N ATOM 824 CA THR A 56 71.703 -9.108 -6.827 1.00 0.00 C ATOM 825 C THR A 56 70.914 -9.971 -5.839 1.00 0.00 C ATOM 826 O THR A 56 70.083 -9.482 -5.100 1.00 0.00 O ATOM 827 CB THR A 56 73.073 -9.731 -7.111 1.00 0.00 C ATOM 828 OG1 THR A 56 74.023 -8.699 -7.333 1.00 0.00 O ATOM 829 CG2 THR A 56 72.983 -10.622 -8.351 1.00 0.00 C ATOM 0 H THR A 56 71.510 -6.990 -6.653 1.00 0.00 H new ATOM 0 HA THR A 56 71.101 -9.027 -7.732 1.00 0.00 H new ATOM 0 HB THR A 56 73.384 -10.333 -6.257 1.00 0.00 H new ATOM 0 HG1 THR A 56 74.795 -9.063 -7.814 1.00 0.00 H new ATOM 0 HG21 THR A 56 73.958 -11.065 -8.552 1.00 0.00 H new ATOM 0 HG22 THR A 56 72.254 -11.413 -8.178 1.00 0.00 H new ATOM 0 HG23 THR A 56 72.673 -10.023 -9.207 1.00 0.00 H new ATOM 837 N ASN A 57 71.169 -11.251 -5.817 1.00 0.00 N ATOM 838 CA ASN A 57 70.432 -12.141 -4.873 1.00 0.00 C ATOM 839 C ASN A 57 70.889 -11.879 -3.435 1.00 0.00 C ATOM 840 O ASN A 57 70.335 -11.055 -2.736 1.00 0.00 O ATOM 841 CB ASN A 57 70.795 -13.562 -5.303 1.00 0.00 C ATOM 842 CG ASN A 57 69.864 -14.008 -6.432 1.00 0.00 C ATOM 843 OD1 ASN A 57 70.205 -13.904 -7.593 1.00 0.00 O ATOM 844 ND2 ASN A 57 68.693 -14.504 -6.138 1.00 0.00 N ATOM 0 H ASN A 57 71.854 -11.719 -6.410 1.00 0.00 H new ATOM 0 HA ASN A 57 69.356 -11.971 -4.899 1.00 0.00 H new ATOM 0 HB2 ASN A 57 71.832 -13.598 -5.637 1.00 0.00 H new ATOM 0 HB3 ASN A 57 70.709 -14.243 -4.456 1.00 0.00 H new ATOM 0 HD21 ASN A 57 68.065 -14.804 -6.883 1.00 0.00 H new ATOM 0 HD22 ASN A 57 68.406 -14.591 -5.163 1.00 0.00 H new ATOM 851 N ARG A 58 71.899 -12.576 -2.988 1.00 0.00 N ATOM 852 CA ARG A 58 72.392 -12.368 -1.596 1.00 0.00 C ATOM 853 C ARG A 58 73.921 -12.435 -1.565 1.00 0.00 C ATOM 854 O ARG A 58 74.514 -12.846 -0.587 1.00 0.00 O ATOM 855 CB ARG A 58 71.786 -13.513 -0.784 1.00 0.00 C ATOM 856 CG ARG A 58 71.990 -14.834 -1.531 1.00 0.00 C ATOM 857 CD ARG A 58 73.473 -15.210 -1.507 1.00 0.00 C ATOM 858 NE ARG A 58 73.492 -16.697 -1.586 1.00 0.00 N ATOM 859 CZ ARG A 58 73.372 -17.290 -2.742 1.00 0.00 C ATOM 860 NH1 ARG A 58 73.016 -16.606 -3.796 1.00 0.00 N ATOM 861 NH2 ARG A 58 73.608 -18.570 -2.846 1.00 0.00 N ATOM 0 H ARG A 58 72.404 -13.280 -3.526 1.00 0.00 H new ATOM 0 HA ARG A 58 72.108 -11.394 -1.197 1.00 0.00 H new ATOM 0 HB2 ARG A 58 72.254 -13.563 0.199 1.00 0.00 H new ATOM 0 HB3 ARG A 58 70.723 -13.335 -0.622 1.00 0.00 H new ATOM 0 HG2 ARG A 58 71.397 -15.622 -1.067 1.00 0.00 H new ATOM 0 HG3 ARG A 58 71.645 -14.739 -2.560 1.00 0.00 H new ATOM 0 HD2 ARG A 58 74.008 -14.763 -2.345 1.00 0.00 H new ATOM 0 HD3 ARG A 58 73.956 -14.856 -0.596 1.00 0.00 H new ATOM 0 HE ARG A 58 73.599 -17.252 -0.737 1.00 0.00 H new ATOM 0 HH11 ARG A 58 72.831 -15.606 -3.717 1.00 0.00 H new ATOM 0 HH12 ARG A 58 72.923 -17.072 -4.699 1.00 0.00 H new ATOM 0 HH21 ARG A 58 73.886 -19.106 -2.024 1.00 0.00 H new ATOM 0 HH22 ARG A 58 73.514 -19.034 -3.749 1.00 0.00 H new ATOM 875 N LYS A 59 74.563 -12.034 -2.627 1.00 0.00 N ATOM 876 CA LYS A 59 76.053 -12.075 -2.657 1.00 0.00 C ATOM 877 C LYS A 59 76.619 -10.688 -2.966 1.00 0.00 C ATOM 878 O LYS A 59 77.782 -10.419 -2.739 1.00 0.00 O ATOM 879 CB LYS A 59 76.400 -13.059 -3.774 1.00 0.00 C ATOM 880 CG LYS A 59 77.464 -14.041 -3.277 1.00 0.00 C ATOM 881 CD LYS A 59 77.771 -15.062 -4.374 1.00 0.00 C ATOM 882 CE LYS A 59 78.776 -16.089 -3.848 1.00 0.00 C ATOM 883 NZ LYS A 59 78.958 -17.057 -4.966 1.00 0.00 N ATOM 0 H LYS A 59 74.121 -11.680 -3.475 1.00 0.00 H new ATOM 0 HA LYS A 59 76.475 -12.380 -1.699 1.00 0.00 H new ATOM 0 HB2 LYS A 59 75.507 -13.601 -4.086 1.00 0.00 H new ATOM 0 HB3 LYS A 59 76.767 -12.520 -4.647 1.00 0.00 H new ATOM 0 HG2 LYS A 59 78.371 -13.502 -3.003 1.00 0.00 H new ATOM 0 HG3 LYS A 59 77.113 -14.550 -2.380 1.00 0.00 H new ATOM 0 HD2 LYS A 59 76.854 -15.562 -4.687 1.00 0.00 H new ATOM 0 HD3 LYS A 59 78.175 -14.558 -5.252 1.00 0.00 H new ATOM 0 HE2 LYS A 59 79.720 -15.615 -3.578 1.00 0.00 H new ATOM 0 HE3 LYS A 59 78.401 -16.586 -2.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 79.635 -17.793 -4.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 78.044 -17.497 -5.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 79.322 -16.557 -5.802 1.00 0.00 H new ATOM 897 N PHE A 60 75.811 -9.803 -3.485 1.00 0.00 N ATOM 898 CA PHE A 60 76.316 -8.437 -3.804 1.00 0.00 C ATOM 899 C PHE A 60 75.717 -7.412 -2.833 1.00 0.00 C ATOM 900 O PHE A 60 75.000 -7.760 -1.915 1.00 0.00 O ATOM 901 CB PHE A 60 75.846 -8.173 -5.233 1.00 0.00 C ATOM 902 CG PHE A 60 77.012 -7.749 -6.090 1.00 0.00 C ATOM 903 CD1 PHE A 60 77.377 -6.400 -6.152 1.00 0.00 C ATOM 904 CD2 PHE A 60 77.719 -8.701 -6.832 1.00 0.00 C ATOM 905 CE1 PHE A 60 78.449 -6.001 -6.954 1.00 0.00 C ATOM 906 CE2 PHE A 60 78.793 -8.302 -7.634 1.00 0.00 C ATOM 907 CZ PHE A 60 79.158 -6.952 -7.696 1.00 0.00 C ATOM 0 H PHE A 60 74.828 -9.966 -3.701 1.00 0.00 H new ATOM 0 HA PHE A 60 77.399 -8.359 -3.711 1.00 0.00 H new ATOM 0 HB2 PHE A 60 75.389 -9.072 -5.646 1.00 0.00 H new ATOM 0 HB3 PHE A 60 75.081 -7.396 -5.235 1.00 0.00 H new ATOM 0 HD1 PHE A 60 76.829 -5.666 -5.579 1.00 0.00 H new ATOM 0 HD2 PHE A 60 77.436 -9.742 -6.786 1.00 0.00 H new ATOM 0 HE1 PHE A 60 78.730 -4.959 -7.001 1.00 0.00 H new ATOM 0 HE2 PHE A 60 79.341 -9.036 -8.206 1.00 0.00 H new ATOM 0 HZ PHE A 60 79.987 -6.645 -8.317 1.00 0.00 H new ATOM 917 N GLY A 61 76.008 -6.152 -3.022 1.00 0.00 N ATOM 918 CA GLY A 61 75.455 -5.111 -2.103 1.00 0.00 C ATOM 919 C GLY A 61 75.923 -3.715 -2.535 1.00 0.00 C ATOM 920 O GLY A 61 76.974 -3.553 -3.122 1.00 0.00 O ATOM 0 H GLY A 61 76.603 -5.798 -3.771 1.00 0.00 H new ATOM 0 HA2 GLY A 61 74.366 -5.154 -2.107 1.00 0.00 H new ATOM 0 HA3 GLY A 61 75.778 -5.310 -1.081 1.00 0.00 H new ATOM 924 N TYR A 62 75.145 -2.705 -2.237 1.00 0.00 N ATOM 925 CA TYR A 62 75.528 -1.309 -2.613 1.00 0.00 C ATOM 926 C TYR A 62 75.517 -0.428 -1.374 1.00 0.00 C ATOM 927 O TYR A 62 74.906 -0.755 -0.378 1.00 0.00 O ATOM 928 CB TYR A 62 74.463 -0.859 -3.615 1.00 0.00 C ATOM 929 CG TYR A 62 74.880 0.442 -4.261 1.00 0.00 C ATOM 930 CD1 TYR A 62 74.856 1.630 -3.521 1.00 0.00 C ATOM 931 CD2 TYR A 62 75.286 0.459 -5.601 1.00 0.00 C ATOM 932 CE1 TYR A 62 75.239 2.836 -4.121 1.00 0.00 C ATOM 933 CE2 TYR A 62 75.670 1.665 -6.200 1.00 0.00 C ATOM 934 CZ TYR A 62 75.646 2.853 -5.460 1.00 0.00 C ATOM 935 OH TYR A 62 76.024 4.041 -6.051 1.00 0.00 O ATOM 0 H TYR A 62 74.255 -2.788 -1.746 1.00 0.00 H new ATOM 0 HA TYR A 62 76.528 -1.247 -3.042 1.00 0.00 H new ATOM 0 HB2 TYR A 62 74.322 -1.625 -4.378 1.00 0.00 H new ATOM 0 HB3 TYR A 62 73.506 -0.733 -3.109 1.00 0.00 H new ATOM 0 HD1 TYR A 62 74.542 1.616 -2.488 1.00 0.00 H new ATOM 0 HD2 TYR A 62 75.303 -0.457 -6.172 1.00 0.00 H new ATOM 0 HE1 TYR A 62 75.220 3.753 -3.551 1.00 0.00 H new ATOM 0 HE2 TYR A 62 75.985 1.679 -7.233 1.00 0.00 H new ATOM 0 HH TYR A 62 76.279 3.876 -6.983 1.00 0.00 H new ATOM 945 N VAL A 63 76.207 0.675 -1.409 1.00 0.00 N ATOM 946 CA VAL A 63 76.243 1.545 -0.208 1.00 0.00 C ATOM 947 C VAL A 63 76.465 3.007 -0.601 1.00 0.00 C ATOM 948 O VAL A 63 77.136 3.307 -1.569 1.00 0.00 O ATOM 949 CB VAL A 63 77.431 1.027 0.606 1.00 0.00 C ATOM 950 CG1 VAL A 63 77.324 1.543 2.032 1.00 0.00 C ATOM 951 CG2 VAL A 63 77.433 -0.505 0.631 1.00 0.00 C ATOM 0 H VAL A 63 76.743 1.008 -2.210 1.00 0.00 H new ATOM 0 HA VAL A 63 75.307 1.513 0.350 1.00 0.00 H new ATOM 0 HB VAL A 63 78.354 1.379 0.145 1.00 0.00 H new ATOM 0 HG11 VAL A 63 78.168 1.176 2.616 1.00 0.00 H new ATOM 0 HG12 VAL A 63 77.333 2.633 2.026 1.00 0.00 H new ATOM 0 HG13 VAL A 63 76.394 1.190 2.478 1.00 0.00 H new ATOM 0 HG21 VAL A 63 78.284 -0.858 1.214 1.00 0.00 H new ATOM 0 HG22 VAL A 63 76.509 -0.863 1.085 1.00 0.00 H new ATOM 0 HG23 VAL A 63 77.508 -0.885 -0.388 1.00 0.00 H new ATOM 961 N ASP A 64 75.913 3.917 0.152 1.00 0.00 N ATOM 962 CA ASP A 64 76.094 5.359 -0.159 1.00 0.00 C ATOM 963 C ASP A 64 76.894 6.025 0.960 1.00 0.00 C ATOM 964 O ASP A 64 76.671 5.770 2.130 1.00 0.00 O ATOM 965 CB ASP A 64 74.682 5.928 -0.221 1.00 0.00 C ATOM 966 CG ASP A 64 73.790 5.004 -1.052 1.00 0.00 C ATOM 967 OD1 ASP A 64 73.629 3.858 -0.664 1.00 0.00 O ATOM 968 OD2 ASP A 64 73.282 5.457 -2.065 1.00 0.00 O ATOM 0 H ASP A 64 75.341 3.721 0.974 1.00 0.00 H new ATOM 0 HA ASP A 64 76.637 5.525 -1.090 1.00 0.00 H new ATOM 0 HB2 ASP A 64 74.277 6.032 0.786 1.00 0.00 H new ATOM 0 HB3 ASP A 64 74.700 6.925 -0.662 1.00 0.00 H new ATOM 973 N PHE A 65 77.828 6.866 0.608 1.00 0.00 N ATOM 974 CA PHE A 65 78.662 7.542 1.644 1.00 0.00 C ATOM 975 C PHE A 65 78.168 8.964 1.906 1.00 0.00 C ATOM 976 O PHE A 65 77.225 9.429 1.298 1.00 0.00 O ATOM 977 CB PHE A 65 80.072 7.550 1.059 1.00 0.00 C ATOM 978 CG PHE A 65 80.649 6.162 1.175 1.00 0.00 C ATOM 979 CD1 PHE A 65 80.684 5.524 2.420 1.00 0.00 C ATOM 980 CD2 PHE A 65 81.136 5.506 0.039 1.00 0.00 C ATOM 981 CE1 PHE A 65 81.208 4.232 2.531 1.00 0.00 C ATOM 982 CE2 PHE A 65 81.662 4.214 0.150 1.00 0.00 C ATOM 983 CZ PHE A 65 81.698 3.577 1.396 1.00 0.00 C ATOM 0 H PHE A 65 78.051 7.115 -0.356 1.00 0.00 H new ATOM 0 HA PHE A 65 78.618 7.030 2.605 1.00 0.00 H new ATOM 0 HB2 PHE A 65 80.047 7.863 0.015 1.00 0.00 H new ATOM 0 HB3 PHE A 65 80.698 8.266 1.591 1.00 0.00 H new ATOM 0 HD1 PHE A 65 80.306 6.030 3.296 1.00 0.00 H new ATOM 0 HD2 PHE A 65 81.106 5.996 -0.923 1.00 0.00 H new ATOM 0 HE1 PHE A 65 81.234 3.740 3.492 1.00 0.00 H new ATOM 0 HE2 PHE A 65 82.040 3.708 -0.726 1.00 0.00 H new ATOM 0 HZ PHE A 65 82.104 2.580 1.481 1.00 0.00 H new ATOM 993 N GLU A 66 78.783 9.650 2.832 1.00 0.00 N ATOM 994 CA GLU A 66 78.330 11.033 3.161 1.00 0.00 C ATOM 995 C GLU A 66 79.408 12.070 2.841 1.00 0.00 C ATOM 996 O GLU A 66 79.306 13.215 3.233 1.00 0.00 O ATOM 997 CB GLU A 66 78.058 11.006 4.665 1.00 0.00 C ATOM 998 CG GLU A 66 76.567 11.222 4.927 1.00 0.00 C ATOM 999 CD GLU A 66 76.333 12.664 5.381 1.00 0.00 C ATOM 1000 OE1 GLU A 66 77.022 13.098 6.289 1.00 0.00 O ATOM 1001 OE2 GLU A 66 75.467 13.310 4.813 1.00 0.00 O ATOM 0 H GLU A 66 79.579 9.313 3.374 1.00 0.00 H new ATOM 0 HA GLU A 66 77.454 11.314 2.576 1.00 0.00 H new ATOM 0 HB2 GLU A 66 78.375 10.051 5.084 1.00 0.00 H new ATOM 0 HB3 GLU A 66 78.640 11.782 5.163 1.00 0.00 H new ATOM 0 HG2 GLU A 66 75.994 11.017 4.023 1.00 0.00 H new ATOM 0 HG3 GLU A 66 76.217 10.528 5.691 1.00 0.00 H new ATOM 1008 N SER A 67 80.431 11.695 2.134 1.00 0.00 N ATOM 1009 CA SER A 67 81.493 12.697 1.807 1.00 0.00 C ATOM 1010 C SER A 67 82.534 12.139 0.852 1.00 0.00 C ATOM 1011 O SER A 67 82.586 10.959 0.565 1.00 0.00 O ATOM 1012 CB SER A 67 82.162 13.037 3.135 1.00 0.00 C ATOM 1013 OG SER A 67 82.368 11.844 3.880 1.00 0.00 O ATOM 0 H SER A 67 80.583 10.754 1.770 1.00 0.00 H new ATOM 0 HA SER A 67 81.052 13.565 1.316 1.00 0.00 H new ATOM 0 HB2 SER A 67 83.114 13.537 2.957 1.00 0.00 H new ATOM 0 HB3 SER A 67 81.539 13.729 3.702 1.00 0.00 H new ATOM 0 HG SER A 67 82.799 12.061 4.733 1.00 0.00 H new ATOM 1019 N ALA A 68 83.395 13.001 0.400 1.00 0.00 N ATOM 1020 CA ALA A 68 84.489 12.577 -0.502 1.00 0.00 C ATOM 1021 C ALA A 68 85.559 11.937 0.356 1.00 0.00 C ATOM 1022 O ALA A 68 86.326 11.099 -0.076 1.00 0.00 O ATOM 1023 CB ALA A 68 85.012 13.874 -1.106 1.00 0.00 C ATOM 0 H ALA A 68 83.385 13.996 0.622 1.00 0.00 H new ATOM 0 HA ALA A 68 84.182 11.870 -1.273 1.00 0.00 H new ATOM 0 HB1 ALA A 68 85.830 13.652 -1.791 1.00 0.00 H new ATOM 0 HB2 ALA A 68 84.209 14.372 -1.649 1.00 0.00 H new ATOM 0 HB3 ALA A 68 85.372 14.527 -0.311 1.00 0.00 H new ATOM 1029 N GLU A 69 85.588 12.336 1.590 1.00 0.00 N ATOM 1030 CA GLU A 69 86.572 11.782 2.538 1.00 0.00 C ATOM 1031 C GLU A 69 86.071 10.427 3.031 1.00 0.00 C ATOM 1032 O GLU A 69 86.839 9.539 3.348 1.00 0.00 O ATOM 1033 CB GLU A 69 86.611 12.810 3.662 1.00 0.00 C ATOM 1034 CG GLU A 69 88.062 13.085 4.049 1.00 0.00 C ATOM 1035 CD GLU A 69 88.304 12.631 5.489 1.00 0.00 C ATOM 1036 OE1 GLU A 69 87.432 12.849 6.314 1.00 0.00 O ATOM 1037 OE2 GLU A 69 89.359 12.072 5.743 1.00 0.00 O ATOM 0 H GLU A 69 84.959 13.035 1.985 1.00 0.00 H new ATOM 0 HA GLU A 69 87.561 11.616 2.112 1.00 0.00 H new ATOM 0 HB2 GLU A 69 86.127 13.733 3.342 1.00 0.00 H new ATOM 0 HB3 GLU A 69 86.056 12.442 4.525 1.00 0.00 H new ATOM 0 HG2 GLU A 69 88.735 12.558 3.373 1.00 0.00 H new ATOM 0 HG3 GLU A 69 88.280 14.149 3.951 1.00 0.00 H new ATOM 1044 N ASP A 70 84.777 10.250 3.052 1.00 0.00 N ATOM 1045 CA ASP A 70 84.210 8.949 3.473 1.00 0.00 C ATOM 1046 C ASP A 70 84.315 8.005 2.287 1.00 0.00 C ATOM 1047 O ASP A 70 84.368 6.800 2.428 1.00 0.00 O ATOM 1048 CB ASP A 70 82.749 9.249 3.812 1.00 0.00 C ATOM 1049 CG ASP A 70 81.936 7.956 3.808 1.00 0.00 C ATOM 1050 OD1 ASP A 70 82.536 6.899 3.929 1.00 0.00 O ATOM 1051 OD2 ASP A 70 80.726 8.047 3.682 1.00 0.00 O ATOM 0 H ASP A 70 84.090 10.958 2.793 1.00 0.00 H new ATOM 0 HA ASP A 70 84.717 8.492 4.323 1.00 0.00 H new ATOM 0 HB2 ASP A 70 82.685 9.726 4.790 1.00 0.00 H new ATOM 0 HB3 ASP A 70 82.336 9.951 3.087 1.00 0.00 H new ATOM 1056 N LEU A 71 84.371 8.566 1.109 1.00 0.00 N ATOM 1057 CA LEU A 71 84.501 7.731 -0.105 1.00 0.00 C ATOM 1058 C LEU A 71 85.952 7.260 -0.228 1.00 0.00 C ATOM 1059 O LEU A 71 86.227 6.153 -0.647 1.00 0.00 O ATOM 1060 CB LEU A 71 84.115 8.649 -1.269 1.00 0.00 C ATOM 1061 CG LEU A 71 84.341 7.932 -2.605 1.00 0.00 C ATOM 1062 CD1 LEU A 71 85.833 7.929 -2.943 1.00 0.00 C ATOM 1063 CD2 LEU A 71 83.836 6.489 -2.510 1.00 0.00 C ATOM 0 H LEU A 71 84.332 9.571 0.941 1.00 0.00 H new ATOM 0 HA LEU A 71 83.870 6.843 -0.085 1.00 0.00 H new ATOM 0 HB2 LEU A 71 83.070 8.944 -1.178 1.00 0.00 H new ATOM 0 HB3 LEU A 71 84.708 9.563 -1.233 1.00 0.00 H new ATOM 0 HG LEU A 71 83.793 8.456 -3.388 1.00 0.00 H new ATOM 0 HD11 LEU A 71 85.990 7.419 -3.893 1.00 0.00 H new ATOM 0 HD12 LEU A 71 86.191 8.956 -3.019 1.00 0.00 H new ATOM 0 HD13 LEU A 71 86.383 7.411 -2.158 1.00 0.00 H new ATOM 0 HD21 LEU A 71 83.999 5.983 -3.462 1.00 0.00 H new ATOM 0 HD22 LEU A 71 84.378 5.965 -1.723 1.00 0.00 H new ATOM 0 HD23 LEU A 71 82.771 6.491 -2.277 1.00 0.00 H new ATOM 1075 N GLU A 72 86.882 8.094 0.154 1.00 0.00 N ATOM 1076 CA GLU A 72 88.317 7.698 0.085 1.00 0.00 C ATOM 1077 C GLU A 72 88.594 6.639 1.152 1.00 0.00 C ATOM 1078 O GLU A 72 89.350 5.705 0.943 1.00 0.00 O ATOM 1079 CB GLU A 72 89.101 8.979 0.377 1.00 0.00 C ATOM 1080 CG GLU A 72 90.437 8.942 -0.367 1.00 0.00 C ATOM 1081 CD GLU A 72 90.197 9.177 -1.860 1.00 0.00 C ATOM 1082 OE1 GLU A 72 90.047 10.325 -2.241 1.00 0.00 O ATOM 1083 OE2 GLU A 72 90.169 8.203 -2.595 1.00 0.00 O ATOM 0 H GLU A 72 86.709 9.034 0.511 1.00 0.00 H new ATOM 0 HA GLU A 72 88.595 7.275 -0.880 1.00 0.00 H new ATOM 0 HB2 GLU A 72 88.524 9.850 0.066 1.00 0.00 H new ATOM 0 HB3 GLU A 72 89.272 9.076 1.449 1.00 0.00 H new ATOM 0 HG2 GLU A 72 91.107 9.705 0.029 1.00 0.00 H new ATOM 0 HG3 GLU A 72 90.924 7.979 -0.213 1.00 0.00 H new ATOM 1090 N LYS A 73 87.951 6.753 2.283 1.00 0.00 N ATOM 1091 CA LYS A 73 88.142 5.736 3.339 1.00 0.00 C ATOM 1092 C LYS A 73 87.372 4.504 2.910 1.00 0.00 C ATOM 1093 O LYS A 73 87.684 3.388 3.276 1.00 0.00 O ATOM 1094 CB LYS A 73 87.539 6.344 4.607 1.00 0.00 C ATOM 1095 CG LYS A 73 88.174 7.710 4.878 1.00 0.00 C ATOM 1096 CD LYS A 73 89.050 7.633 6.130 1.00 0.00 C ATOM 1097 CE LYS A 73 89.913 6.371 6.077 1.00 0.00 C ATOM 1098 NZ LYS A 73 91.223 6.776 6.660 1.00 0.00 N ATOM 0 H LYS A 73 87.305 7.507 2.515 1.00 0.00 H new ATOM 0 HA LYS A 73 89.183 5.462 3.509 1.00 0.00 H new ATOM 0 HB2 LYS A 73 86.460 6.450 4.493 1.00 0.00 H new ATOM 0 HB3 LYS A 73 87.706 5.680 5.455 1.00 0.00 H new ATOM 0 HG2 LYS A 73 88.773 8.019 4.022 1.00 0.00 H new ATOM 0 HG3 LYS A 73 87.397 8.463 5.012 1.00 0.00 H new ATOM 0 HD2 LYS A 73 89.684 8.517 6.197 1.00 0.00 H new ATOM 0 HD3 LYS A 73 88.425 7.621 7.023 1.00 0.00 H new ATOM 0 HE2 LYS A 73 89.461 5.559 6.647 1.00 0.00 H new ATOM 0 HE3 LYS A 73 90.030 6.015 5.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 91.870 5.962 6.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 91.633 7.545 6.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 91.082 7.104 7.637 1.00 0.00 H new ATOM 1112 N ALA A 74 86.367 4.711 2.104 1.00 0.00 N ATOM 1113 CA ALA A 74 85.572 3.570 1.613 1.00 0.00 C ATOM 1114 C ALA A 74 86.434 2.740 0.664 1.00 0.00 C ATOM 1115 O ALA A 74 86.300 1.536 0.573 1.00 0.00 O ATOM 1116 CB ALA A 74 84.388 4.187 0.873 1.00 0.00 C ATOM 0 H ALA A 74 86.068 5.626 1.768 1.00 0.00 H new ATOM 0 HA ALA A 74 85.233 2.913 2.414 1.00 0.00 H new ATOM 0 HB1 ALA A 74 83.752 3.394 0.480 1.00 0.00 H new ATOM 0 HB2 ALA A 74 83.812 4.807 1.560 1.00 0.00 H new ATOM 0 HB3 ALA A 74 84.753 4.801 0.050 1.00 0.00 H new ATOM 1122 N LEU A 75 87.342 3.382 -0.021 1.00 0.00 N ATOM 1123 CA LEU A 75 88.243 2.642 -0.942 1.00 0.00 C ATOM 1124 C LEU A 75 89.222 1.843 -0.095 1.00 0.00 C ATOM 1125 O LEU A 75 89.453 0.672 -0.324 1.00 0.00 O ATOM 1126 CB LEU A 75 88.969 3.719 -1.750 1.00 0.00 C ATOM 1127 CG LEU A 75 90.004 3.063 -2.664 1.00 0.00 C ATOM 1128 CD1 LEU A 75 90.143 3.881 -3.949 1.00 0.00 C ATOM 1129 CD2 LEU A 75 91.355 3.007 -1.948 1.00 0.00 C ATOM 0 H LEU A 75 87.497 4.389 0.020 1.00 0.00 H new ATOM 0 HA LEU A 75 87.721 1.951 -1.604 1.00 0.00 H new ATOM 0 HB2 LEU A 75 88.253 4.287 -2.344 1.00 0.00 H new ATOM 0 HB3 LEU A 75 89.457 4.425 -1.078 1.00 0.00 H new ATOM 0 HG LEU A 75 89.680 2.052 -2.910 1.00 0.00 H new ATOM 0 HD11 LEU A 75 90.881 3.413 -4.600 1.00 0.00 H new ATOM 0 HD12 LEU A 75 89.181 3.921 -4.460 1.00 0.00 H new ATOM 0 HD13 LEU A 75 90.466 4.893 -3.703 1.00 0.00 H new ATOM 0 HD21 LEU A 75 92.093 2.539 -2.600 1.00 0.00 H new ATOM 0 HD22 LEU A 75 91.678 4.018 -1.701 1.00 0.00 H new ATOM 0 HD23 LEU A 75 91.258 2.423 -1.033 1.00 0.00 H new ATOM 1141 N GLU A 76 89.777 2.466 0.909 1.00 0.00 N ATOM 1142 CA GLU A 76 90.713 1.736 1.799 1.00 0.00 C ATOM 1143 C GLU A 76 89.909 0.861 2.764 1.00 0.00 C ATOM 1144 O GLU A 76 90.458 0.137 3.570 1.00 0.00 O ATOM 1145 CB GLU A 76 91.465 2.819 2.566 1.00 0.00 C ATOM 1146 CG GLU A 76 92.927 2.848 2.115 1.00 0.00 C ATOM 1147 CD GLU A 76 93.664 3.972 2.846 1.00 0.00 C ATOM 1148 OE1 GLU A 76 94.174 3.715 3.925 1.00 0.00 O ATOM 1149 OE2 GLU A 76 93.707 5.069 2.315 1.00 0.00 O ATOM 0 H GLU A 76 89.621 3.445 1.148 1.00 0.00 H new ATOM 0 HA GLU A 76 91.395 1.087 1.250 1.00 0.00 H new ATOM 0 HB2 GLU A 76 91.001 3.790 2.392 1.00 0.00 H new ATOM 0 HB3 GLU A 76 91.408 2.626 3.637 1.00 0.00 H new ATOM 0 HG2 GLU A 76 93.403 1.890 2.325 1.00 0.00 H new ATOM 0 HG3 GLU A 76 92.983 3.002 1.037 1.00 0.00 H new ATOM 1156 N LEU A 77 88.605 0.929 2.683 1.00 0.00 N ATOM 1157 CA LEU A 77 87.750 0.110 3.587 1.00 0.00 C ATOM 1158 C LEU A 77 87.716 -1.346 3.118 1.00 0.00 C ATOM 1159 O LEU A 77 86.971 -2.155 3.637 1.00 0.00 O ATOM 1160 CB LEU A 77 86.359 0.736 3.482 1.00 0.00 C ATOM 1161 CG LEU A 77 85.911 1.225 4.860 1.00 0.00 C ATOM 1162 CD1 LEU A 77 85.749 0.029 5.799 1.00 0.00 C ATOM 1163 CD2 LEU A 77 86.963 2.180 5.428 1.00 0.00 C ATOM 0 H LEU A 77 88.096 1.520 2.026 1.00 0.00 H new ATOM 0 HA LEU A 77 88.123 0.102 4.611 1.00 0.00 H new ATOM 0 HB2 LEU A 77 86.376 1.568 2.778 1.00 0.00 H new ATOM 0 HB3 LEU A 77 85.649 0.005 3.096 1.00 0.00 H new ATOM 0 HG LEU A 77 84.958 1.746 4.768 1.00 0.00 H new ATOM 0 HD11 LEU A 77 85.430 0.378 6.781 1.00 0.00 H new ATOM 0 HD12 LEU A 77 85.000 -0.652 5.395 1.00 0.00 H new ATOM 0 HD13 LEU A 77 86.702 -0.493 5.891 1.00 0.00 H new ATOM 0 HD21 LEU A 77 86.645 2.529 6.410 1.00 0.00 H new ATOM 0 HD22 LEU A 77 87.916 1.659 5.519 1.00 0.00 H new ATOM 0 HD23 LEU A 77 87.079 3.033 4.760 1.00 0.00 H new ATOM 1175 N THR A 78 88.517 -1.695 2.145 1.00 0.00 N ATOM 1176 CA THR A 78 88.520 -3.104 1.662 1.00 0.00 C ATOM 1177 C THR A 78 89.213 -4.011 2.675 1.00 0.00 C ATOM 1178 O THR A 78 89.327 -5.206 2.485 1.00 0.00 O ATOM 1179 CB THR A 78 89.285 -3.078 0.338 1.00 0.00 C ATOM 1180 OG1 THR A 78 88.982 -1.876 -0.358 1.00 0.00 O ATOM 1181 CG2 THR A 78 88.875 -4.279 -0.515 1.00 0.00 C ATOM 0 H THR A 78 89.165 -1.068 1.668 1.00 0.00 H new ATOM 0 HA THR A 78 87.511 -3.495 1.532 1.00 0.00 H new ATOM 0 HB THR A 78 90.356 -3.125 0.536 1.00 0.00 H new ATOM 0 HG1 THR A 78 89.680 -1.211 -0.181 1.00 0.00 H new ATOM 0 HG21 THR A 78 89.421 -4.259 -1.458 1.00 0.00 H new ATOM 0 HG22 THR A 78 89.107 -5.201 0.019 1.00 0.00 H new ATOM 0 HG23 THR A 78 87.804 -4.235 -0.715 1.00 0.00 H new ATOM 1189 N GLY A 79 89.662 -3.450 3.754 1.00 0.00 N ATOM 1190 CA GLY A 79 90.335 -4.268 4.800 1.00 0.00 C ATOM 1191 C GLY A 79 89.276 -4.843 5.742 1.00 0.00 C ATOM 1192 O GLY A 79 89.582 -5.365 6.796 1.00 0.00 O ATOM 0 H GLY A 79 89.593 -2.454 3.962 1.00 0.00 H new ATOM 0 HA2 GLY A 79 90.905 -5.074 4.338 1.00 0.00 H new ATOM 0 HA3 GLY A 79 91.043 -3.656 5.359 1.00 0.00 H new ATOM 1196 N LEU A 80 88.026 -4.751 5.367 1.00 0.00 N ATOM 1197 CA LEU A 80 86.941 -5.287 6.229 1.00 0.00 C ATOM 1198 C LEU A 80 86.458 -6.626 5.675 1.00 0.00 C ATOM 1199 O LEU A 80 86.187 -6.763 4.501 1.00 0.00 O ATOM 1200 CB LEU A 80 85.845 -4.215 6.171 1.00 0.00 C ATOM 1201 CG LEU A 80 84.458 -4.859 6.182 1.00 0.00 C ATOM 1202 CD1 LEU A 80 84.288 -5.689 7.455 1.00 0.00 C ATOM 1203 CD2 LEU A 80 83.386 -3.768 6.136 1.00 0.00 C ATOM 0 H LEU A 80 87.713 -4.324 4.495 1.00 0.00 H new ATOM 0 HA LEU A 80 87.255 -5.478 7.255 1.00 0.00 H new ATOM 0 HB2 LEU A 80 85.945 -3.540 7.021 1.00 0.00 H new ATOM 0 HB3 LEU A 80 85.965 -3.613 5.270 1.00 0.00 H new ATOM 0 HG LEU A 80 84.354 -5.506 5.311 1.00 0.00 H new ATOM 0 HD11 LEU A 80 83.299 -6.147 7.461 1.00 0.00 H new ATOM 0 HD12 LEU A 80 85.049 -6.468 7.485 1.00 0.00 H new ATOM 0 HD13 LEU A 80 84.394 -5.044 8.327 1.00 0.00 H new ATOM 0 HD21 LEU A 80 82.398 -4.228 6.144 1.00 0.00 H new ATOM 0 HD22 LEU A 80 83.491 -3.118 7.005 1.00 0.00 H new ATOM 0 HD23 LEU A 80 83.505 -3.179 5.226 1.00 0.00 H new ATOM 1215 N LYS A 81 86.347 -7.605 6.521 1.00 0.00 N ATOM 1216 CA LYS A 81 85.880 -8.945 6.067 1.00 0.00 C ATOM 1217 C LYS A 81 84.548 -9.269 6.693 1.00 0.00 C ATOM 1218 O LYS A 81 84.441 -9.998 7.659 1.00 0.00 O ATOM 1219 CB LYS A 81 86.908 -9.911 6.559 1.00 0.00 C ATOM 1220 CG LYS A 81 87.711 -10.467 5.385 1.00 0.00 C ATOM 1221 CD LYS A 81 88.844 -11.350 5.914 1.00 0.00 C ATOM 1222 CE LYS A 81 88.868 -12.668 5.138 1.00 0.00 C ATOM 1223 NZ LYS A 81 89.243 -13.698 6.146 1.00 0.00 N ATOM 0 H LYS A 81 86.561 -7.537 7.516 1.00 0.00 H new ATOM 0 HA LYS A 81 85.759 -8.984 4.984 1.00 0.00 H new ATOM 0 HB2 LYS A 81 87.576 -9.416 7.264 1.00 0.00 H new ATOM 0 HB3 LYS A 81 86.424 -10.726 7.097 1.00 0.00 H new ATOM 0 HG2 LYS A 81 87.062 -11.045 4.728 1.00 0.00 H new ATOM 0 HG3 LYS A 81 88.120 -9.650 4.791 1.00 0.00 H new ATOM 0 HD2 LYS A 81 89.799 -10.836 5.809 1.00 0.00 H new ATOM 0 HD3 LYS A 81 88.702 -11.544 6.977 1.00 0.00 H new ATOM 0 HE2 LYS A 81 87.896 -12.884 4.695 1.00 0.00 H new ATOM 0 HE3 LYS A 81 89.589 -12.633 4.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 89.281 -14.632 5.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 90.176 -13.470 6.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 88.535 -13.713 6.907 1.00 0.00 H new ATOM 1237 N VAL A 82 83.548 -8.729 6.131 1.00 0.00 N ATOM 1238 CA VAL A 82 82.171 -8.969 6.642 1.00 0.00 C ATOM 1239 C VAL A 82 81.930 -10.475 6.788 1.00 0.00 C ATOM 1240 O VAL A 82 82.136 -11.236 5.867 1.00 0.00 O ATOM 1241 CB VAL A 82 81.243 -8.366 5.592 1.00 0.00 C ATOM 1242 CG1 VAL A 82 81.226 -6.844 5.740 1.00 0.00 C ATOM 1243 CG2 VAL A 82 81.737 -8.738 4.192 1.00 0.00 C ATOM 0 H VAL A 82 83.604 -8.114 5.319 1.00 0.00 H new ATOM 0 HA VAL A 82 82.004 -8.523 7.622 1.00 0.00 H new ATOM 0 HB VAL A 82 80.235 -8.757 5.734 1.00 0.00 H new ATOM 0 HG11 VAL A 82 80.563 -6.413 4.990 1.00 0.00 H new ATOM 0 HG12 VAL A 82 80.869 -6.579 6.735 1.00 0.00 H new ATOM 0 HG13 VAL A 82 82.234 -6.454 5.601 1.00 0.00 H new ATOM 0 HG21 VAL A 82 81.072 -8.306 3.445 1.00 0.00 H new ATOM 0 HG22 VAL A 82 82.746 -8.351 4.047 1.00 0.00 H new ATOM 0 HG23 VAL A 82 81.746 -9.823 4.086 1.00 0.00 H new ATOM 1253 N PHE A 83 81.495 -10.903 7.941 1.00 0.00 N ATOM 1254 CA PHE A 83 81.240 -12.358 8.164 1.00 0.00 C ATOM 1255 C PHE A 83 82.299 -13.223 7.469 1.00 0.00 C ATOM 1256 O PHE A 83 82.038 -14.346 7.086 1.00 0.00 O ATOM 1257 CB PHE A 83 79.855 -12.607 7.567 1.00 0.00 C ATOM 1258 CG PHE A 83 78.871 -11.622 8.155 1.00 0.00 C ATOM 1259 CD1 PHE A 83 79.175 -10.946 9.346 1.00 0.00 C ATOM 1260 CD2 PHE A 83 77.656 -11.381 7.508 1.00 0.00 C ATOM 1261 CE1 PHE A 83 78.265 -10.032 9.885 1.00 0.00 C ATOM 1262 CE2 PHE A 83 76.745 -10.468 8.048 1.00 0.00 C ATOM 1263 CZ PHE A 83 77.049 -9.792 9.237 1.00 0.00 C ATOM 0 H PHE A 83 81.303 -10.305 8.745 1.00 0.00 H new ATOM 0 HA PHE A 83 81.288 -12.621 9.221 1.00 0.00 H new ATOM 0 HB2 PHE A 83 79.890 -12.500 6.483 1.00 0.00 H new ATOM 0 HB3 PHE A 83 79.534 -13.627 7.777 1.00 0.00 H new ATOM 0 HD1 PHE A 83 80.113 -11.132 9.847 1.00 0.00 H new ATOM 0 HD2 PHE A 83 77.421 -11.900 6.591 1.00 0.00 H new ATOM 0 HE1 PHE A 83 78.501 -9.511 10.801 1.00 0.00 H new ATOM 0 HE2 PHE A 83 75.806 -10.284 7.548 1.00 0.00 H new ATOM 0 HZ PHE A 83 76.345 -9.086 9.653 1.00 0.00 H new ATOM 1273 N GLY A 84 83.496 -12.720 7.312 1.00 0.00 N ATOM 1274 CA GLY A 84 84.562 -13.530 6.653 1.00 0.00 C ATOM 1275 C GLY A 84 84.472 -13.373 5.135 1.00 0.00 C ATOM 1276 O GLY A 84 84.870 -14.243 4.385 1.00 0.00 O ATOM 0 H GLY A 84 83.780 -11.787 7.611 1.00 0.00 H new ATOM 0 HA2 GLY A 84 85.543 -13.209 7.003 1.00 0.00 H new ATOM 0 HA3 GLY A 84 84.454 -14.580 6.926 1.00 0.00 H new ATOM 1280 N ASN A 85 83.956 -12.269 4.675 1.00 0.00 N ATOM 1281 CA ASN A 85 83.843 -12.053 3.205 1.00 0.00 C ATOM 1282 C ASN A 85 84.312 -10.641 2.853 1.00 0.00 C ATOM 1283 O ASN A 85 83.514 -9.751 2.637 1.00 0.00 O ATOM 1284 CB ASN A 85 82.356 -12.222 2.891 1.00 0.00 C ATOM 1285 CG ASN A 85 81.908 -13.630 3.282 1.00 0.00 C ATOM 1286 OD1 ASN A 85 81.728 -13.922 4.447 1.00 0.00 O ATOM 1287 ND2 ASN A 85 81.718 -14.524 2.350 1.00 0.00 N ATOM 0 H ASN A 85 83.607 -11.505 5.254 1.00 0.00 H new ATOM 0 HA ASN A 85 84.457 -12.748 2.632 1.00 0.00 H new ATOM 0 HB2 ASN A 85 81.772 -11.479 3.435 1.00 0.00 H new ATOM 0 HB3 ASN A 85 82.176 -12.054 1.829 1.00 0.00 H new ATOM 0 HD21 ASN A 85 81.419 -15.466 2.601 1.00 0.00 H new ATOM 0 HD22 ASN A 85 81.869 -14.280 1.371 1.00 0.00 H new ATOM 1294 N GLU A 86 85.601 -10.436 2.799 1.00 0.00 N ATOM 1295 CA GLU A 86 86.143 -9.084 2.467 1.00 0.00 C ATOM 1296 C GLU A 86 85.277 -8.398 1.414 1.00 0.00 C ATOM 1297 O GLU A 86 85.455 -8.576 0.226 1.00 0.00 O ATOM 1298 CB GLU A 86 87.548 -9.352 1.944 1.00 0.00 C ATOM 1299 CG GLU A 86 88.033 -8.167 1.103 1.00 0.00 C ATOM 1300 CD GLU A 86 88.066 -8.567 -0.373 1.00 0.00 C ATOM 1301 OE1 GLU A 86 88.466 -9.685 -0.655 1.00 0.00 O ATOM 1302 OE2 GLU A 86 87.690 -7.749 -1.196 1.00 0.00 O ATOM 0 H GLU A 86 86.307 -11.151 2.972 1.00 0.00 H new ATOM 0 HA GLU A 86 86.151 -8.414 3.327 1.00 0.00 H new ATOM 0 HB2 GLU A 86 88.229 -9.518 2.778 1.00 0.00 H new ATOM 0 HB3 GLU A 86 87.553 -10.261 1.342 1.00 0.00 H new ATOM 0 HG2 GLU A 86 87.371 -7.312 1.244 1.00 0.00 H new ATOM 0 HG3 GLU A 86 89.026 -7.858 1.429 1.00 0.00 H new ATOM 1309 N ILE A 87 84.337 -7.613 1.855 1.00 0.00 N ATOM 1310 CA ILE A 87 83.444 -6.905 0.897 1.00 0.00 C ATOM 1311 C ILE A 87 84.264 -6.240 -0.205 1.00 0.00 C ATOM 1312 O ILE A 87 85.350 -5.745 0.018 1.00 0.00 O ATOM 1313 CB ILE A 87 82.701 -5.846 1.718 1.00 0.00 C ATOM 1314 CG1 ILE A 87 83.644 -5.233 2.759 1.00 0.00 C ATOM 1315 CG2 ILE A 87 81.511 -6.493 2.425 1.00 0.00 C ATOM 1316 CD1 ILE A 87 83.569 -3.708 2.681 1.00 0.00 C ATOM 0 H ILE A 87 84.147 -7.430 2.840 1.00 0.00 H new ATOM 0 HA ILE A 87 82.753 -7.595 0.413 1.00 0.00 H new ATOM 0 HB ILE A 87 82.347 -5.060 1.051 1.00 0.00 H new ATOM 0 HG12 ILE A 87 83.368 -5.570 3.758 1.00 0.00 H new ATOM 0 HG13 ILE A 87 84.666 -5.567 2.580 1.00 0.00 H new ATOM 0 HG21 ILE A 87 80.982 -5.740 3.009 1.00 0.00 H new ATOM 0 HG22 ILE A 87 80.835 -6.918 1.684 1.00 0.00 H new ATOM 0 HG23 ILE A 87 81.866 -7.283 3.087 1.00 0.00 H new ATOM 0 HD11 ILE A 87 84.240 -3.272 3.422 1.00 0.00 H new ATOM 0 HD12 ILE A 87 83.866 -3.380 1.685 1.00 0.00 H new ATOM 0 HD13 ILE A 87 82.548 -3.383 2.881 1.00 0.00 H new ATOM 1328 N LYS A 88 83.738 -6.225 -1.392 1.00 0.00 N ATOM 1329 CA LYS A 88 84.460 -5.591 -2.530 1.00 0.00 C ATOM 1330 C LYS A 88 83.622 -4.443 -3.093 1.00 0.00 C ATOM 1331 O LYS A 88 82.420 -4.408 -2.936 1.00 0.00 O ATOM 1332 CB LYS A 88 84.616 -6.702 -3.569 1.00 0.00 C ATOM 1333 CG LYS A 88 85.172 -6.114 -4.867 1.00 0.00 C ATOM 1334 CD LYS A 88 84.955 -7.106 -6.011 1.00 0.00 C ATOM 1335 CE LYS A 88 86.085 -6.965 -7.033 1.00 0.00 C ATOM 1336 NZ LYS A 88 86.062 -8.235 -7.810 1.00 0.00 N ATOM 0 H LYS A 88 82.831 -6.627 -1.628 1.00 0.00 H new ATOM 0 HA LYS A 88 85.424 -5.175 -2.236 1.00 0.00 H new ATOM 0 HB2 LYS A 88 85.285 -7.475 -3.192 1.00 0.00 H new ATOM 0 HB3 LYS A 88 83.653 -7.177 -3.756 1.00 0.00 H new ATOM 0 HG2 LYS A 88 84.677 -5.169 -5.092 1.00 0.00 H new ATOM 0 HG3 LYS A 88 86.235 -5.898 -4.755 1.00 0.00 H new ATOM 0 HD2 LYS A 88 84.927 -8.124 -5.623 1.00 0.00 H new ATOM 0 HD3 LYS A 88 83.993 -6.921 -6.489 1.00 0.00 H new ATOM 0 HE2 LYS A 88 85.926 -6.103 -7.681 1.00 0.00 H new ATOM 0 HE3 LYS A 88 87.047 -6.821 -6.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 86.810 -8.214 -8.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 86.223 -9.038 -7.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 85.137 -8.342 -8.273 1.00 0.00 H new ATOM 1350 N LEU A 89 84.240 -3.503 -3.743 1.00 0.00 N ATOM 1351 CA LEU A 89 83.468 -2.366 -4.307 1.00 0.00 C ATOM 1352 C LEU A 89 83.574 -2.355 -5.834 1.00 0.00 C ATOM 1353 O LEU A 89 84.326 -3.107 -6.420 1.00 0.00 O ATOM 1354 CB LEU A 89 84.111 -1.109 -3.716 1.00 0.00 C ATOM 1355 CG LEU A 89 85.630 -1.276 -3.631 1.00 0.00 C ATOM 1356 CD1 LEU A 89 86.305 0.086 -3.814 1.00 0.00 C ATOM 1357 CD2 LEU A 89 86.004 -1.850 -2.263 1.00 0.00 C ATOM 0 H LEU A 89 85.246 -3.472 -3.909 1.00 0.00 H new ATOM 0 HA LEU A 89 82.408 -2.432 -4.063 1.00 0.00 H new ATOM 0 HB2 LEU A 89 83.868 -0.244 -4.333 1.00 0.00 H new ATOM 0 HB3 LEU A 89 83.704 -0.917 -2.723 1.00 0.00 H new ATOM 0 HG LEU A 89 85.965 -1.956 -4.415 1.00 0.00 H new ATOM 0 HD11 LEU A 89 87.387 -0.033 -3.753 1.00 0.00 H new ATOM 0 HD12 LEU A 89 86.039 0.496 -4.788 1.00 0.00 H new ATOM 0 HD13 LEU A 89 85.970 0.766 -3.031 1.00 0.00 H new ATOM 0 HD21 LEU A 89 87.086 -1.969 -2.202 1.00 0.00 H new ATOM 0 HD22 LEU A 89 85.669 -1.170 -1.479 1.00 0.00 H new ATOM 0 HD23 LEU A 89 85.524 -2.820 -2.132 1.00 0.00 H new ATOM 1369 N GLU A 90 82.823 -1.505 -6.477 1.00 0.00 N ATOM 1370 CA GLU A 90 82.874 -1.441 -7.966 1.00 0.00 C ATOM 1371 C GLU A 90 82.301 -0.109 -8.456 1.00 0.00 C ATOM 1372 O GLU A 90 81.389 0.437 -7.868 1.00 0.00 O ATOM 1373 CB GLU A 90 82.003 -2.606 -8.442 1.00 0.00 C ATOM 1374 CG GLU A 90 82.820 -3.511 -9.366 1.00 0.00 C ATOM 1375 CD GLU A 90 83.305 -2.707 -10.574 1.00 0.00 C ATOM 1376 OE1 GLU A 90 82.464 -2.220 -11.311 1.00 0.00 O ATOM 1377 OE2 GLU A 90 84.507 -2.591 -10.739 1.00 0.00 O ATOM 0 H GLU A 90 82.176 -0.851 -6.037 1.00 0.00 H new ATOM 0 HA GLU A 90 83.892 -1.510 -8.349 1.00 0.00 H new ATOM 0 HB2 GLU A 90 81.640 -3.175 -7.586 1.00 0.00 H new ATOM 0 HB3 GLU A 90 81.127 -2.227 -8.968 1.00 0.00 H new ATOM 0 HG2 GLU A 90 83.672 -3.925 -8.826 1.00 0.00 H new ATOM 0 HG3 GLU A 90 82.212 -4.353 -9.697 1.00 0.00 H new