USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 561 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 42 THR OG1 : rot 170:sc= -0.498 USER MOD Set 1.2: A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 1:sc= 0.842 USER MOD Single : A 4 LYS NZ :NH3+ 167:sc= -0.841 (180deg=-1.08) USER MOD Single : A 5 GLN :FLIP amide:sc= -1.23 F(o=-3.5!,f=-1.2) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -117:sc= -0.181 (180deg=-2.43!) USER MOD Single : A 28 GLN : amide:sc= -3.06! C(o=-3.1!,f=-5.1!) USER MOD Single : A 38 ASN : amide:sc= -3.88! C(o=-3.9!,f=-11!) USER MOD Single : A 47 ASN :FLIP amide:sc= -1.25! C(o=-1.9!,f=-1.3!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN :FLIP amide:sc= -0.266 F(o=-5.3!,f=-0.27) USER MOD Single : A 68 THR OG1 : rot -171:sc= -2.85! USER MOD Single : A 71 GLN : amide:sc= -0.271 X(o=-0.27,f=-0.035) USER MOD Single : A 84 ASN : amide:sc= -0.0283 X(o=-0.028,f=-0.28) USER MOD Single : A 85 SER OG : rot -111:sc= -0.439! USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 49.967 -13.799 19.568 1.00 0.00 N ATOM 21 CA THR A 2 51.356 -13.361 19.459 1.00 0.00 C ATOM 22 C THR A 2 52.035 -14.023 18.270 1.00 0.00 C ATOM 23 O THR A 2 51.734 -15.170 17.938 1.00 0.00 O ATOM 24 CB THR A 2 52.128 -13.740 20.731 1.00 0.00 C ATOM 25 OG1 THR A 2 51.215 -14.188 21.723 1.00 0.00 O ATOM 26 CG2 THR A 2 52.898 -12.528 21.254 1.00 0.00 C ATOM 0 HA THR A 2 51.358 -12.279 19.325 1.00 0.00 H new ATOM 0 HB THR A 2 52.834 -14.537 20.498 1.00 0.00 H new ATOM 0 HG1 THR A 2 50.304 -14.164 21.364 1.00 0.00 H new ATOM 0 HG21 THR A 2 53.443 -12.805 22.156 1.00 0.00 H new ATOM 0 HG22 THR A 2 53.602 -12.189 20.494 1.00 0.00 H new ATOM 0 HG23 THR A 2 52.199 -11.724 21.485 1.00 0.00 H new ATOM 34 N VAL A 3 52.987 -13.324 17.657 1.00 0.00 N ATOM 35 CA VAL A 3 53.721 -13.883 16.561 1.00 0.00 C ATOM 36 C VAL A 3 55.152 -13.483 16.697 1.00 0.00 C ATOM 37 O VAL A 3 55.471 -12.330 16.978 1.00 0.00 O ATOM 38 CB VAL A 3 53.211 -13.389 15.234 1.00 0.00 C ATOM 39 CG1 VAL A 3 52.123 -14.318 14.744 1.00 0.00 C ATOM 40 CG2 VAL A 3 52.663 -11.975 15.391 1.00 0.00 C ATOM 0 H VAL A 3 53.256 -12.374 17.911 1.00 0.00 H new ATOM 0 HA VAL A 3 53.603 -14.966 16.589 1.00 0.00 H new ATOM 0 HB VAL A 3 54.024 -13.372 14.508 1.00 0.00 H new ATOM 0 HG11 VAL A 3 51.749 -13.965 13.783 1.00 0.00 H new ATOM 0 HG12 VAL A 3 52.528 -15.324 14.629 1.00 0.00 H new ATOM 0 HG13 VAL A 3 51.307 -14.335 15.466 1.00 0.00 H new ATOM 0 HG21 VAL A 3 52.294 -11.619 14.429 1.00 0.00 H new ATOM 0 HG22 VAL A 3 51.847 -11.979 16.114 1.00 0.00 H new ATOM 0 HG23 VAL A 3 53.456 -11.315 15.743 1.00 0.00 H new ATOM 50 N LYS A 4 55.999 -14.443 16.499 1.00 0.00 N ATOM 51 CA LYS A 4 57.400 -14.219 16.598 1.00 0.00 C ATOM 52 C LYS A 4 58.134 -15.190 15.722 1.00 0.00 C ATOM 53 O LYS A 4 57.798 -16.372 15.662 1.00 0.00 O ATOM 54 CB LYS A 4 57.849 -14.371 18.032 1.00 0.00 C ATOM 55 CG LYS A 4 57.388 -15.730 18.595 1.00 0.00 C ATOM 56 CD LYS A 4 56.226 -15.547 19.593 1.00 0.00 C ATOM 57 CE LYS A 4 54.870 -15.518 18.862 1.00 0.00 C ATOM 58 NZ LYS A 4 53.918 -16.421 19.567 1.00 0.00 N ATOM 0 H LYS A 4 55.737 -15.400 16.265 1.00 0.00 H new ATOM 0 HA LYS A 4 57.622 -13.205 16.267 1.00 0.00 H new ATOM 0 HB2 LYS A 4 58.935 -14.295 18.090 1.00 0.00 H new ATOM 0 HB3 LYS A 4 57.440 -13.561 18.636 1.00 0.00 H new ATOM 0 HG2 LYS A 4 57.072 -16.378 17.778 1.00 0.00 H new ATOM 0 HG3 LYS A 4 58.223 -16.225 19.090 1.00 0.00 H new ATOM 0 HD2 LYS A 4 56.234 -16.360 20.319 1.00 0.00 H new ATOM 0 HD3 LYS A 4 56.363 -14.620 20.150 1.00 0.00 H new ATOM 0 HE2 LYS A 4 54.477 -14.502 18.838 1.00 0.00 H new ATOM 0 HE3 LYS A 4 54.994 -15.836 17.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 52.953 -16.244 19.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 54.176 -17.411 19.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 53.960 -16.239 20.590 1.00 0.00 H new ATOM 72 N GLN A 5 59.109 -14.682 15.008 1.00 0.00 N ATOM 73 CA GLN A 5 59.844 -15.526 14.097 1.00 0.00 C ATOM 74 C GLN A 5 61.304 -15.134 14.001 1.00 0.00 C ATOM 75 O GLN A 5 61.681 -13.982 14.195 1.00 0.00 O ATOM 76 CB GLN A 5 59.209 -15.408 12.727 1.00 0.00 C ATOM 77 CG GLN A 5 57.686 -15.368 12.877 1.00 0.00 C ATOM 78 CD GLN A 5 57.027 -15.418 11.502 1.00 0.00 C ATOM 79 OE1 GLN A 5 56.890 -14.318 10.813 1.00 0.00 O flip ATOM 80 NE2 GLN A 5 56.627 -16.488 11.043 1.00 0.00 N flip ATOM 0 H GLN A 5 59.408 -13.707 15.038 1.00 0.00 H new ATOM 0 HA GLN A 5 59.805 -16.549 14.471 1.00 0.00 H new ATOM 0 HB2 GLN A 5 59.561 -14.505 12.227 1.00 0.00 H new ATOM 0 HB3 GLN A 5 59.502 -16.253 12.104 1.00 0.00 H new ATOM 0 HG2 GLN A 5 57.349 -16.210 13.482 1.00 0.00 H new ATOM 0 HG3 GLN A 5 57.387 -14.460 13.400 1.00 0.00 H new ATOM 0 HE21 GLN A 5 56.735 -17.347 11.583 1.00 0.00 H new ATOM 0 HE22 GLN A 5 56.188 -16.516 10.123 1.00 0.00 H new ATOM 89 N THR A 6 62.111 -16.109 13.672 1.00 0.00 N ATOM 90 CA THR A 6 63.517 -15.897 13.505 1.00 0.00 C ATOM 91 C THR A 6 63.830 -15.864 12.019 1.00 0.00 C ATOM 92 O THR A 6 63.815 -16.899 11.353 1.00 0.00 O ATOM 93 CB THR A 6 64.275 -17.034 14.185 1.00 0.00 C ATOM 94 OG1 THR A 6 63.530 -17.491 15.305 1.00 0.00 O ATOM 95 CG2 THR A 6 65.632 -16.534 14.650 1.00 0.00 C ATOM 0 H THR A 6 61.808 -17.070 13.513 1.00 0.00 H new ATOM 0 HA THR A 6 63.820 -14.952 13.956 1.00 0.00 H new ATOM 0 HB THR A 6 64.414 -17.853 13.479 1.00 0.00 H new ATOM 0 HG1 THR A 6 64.013 -18.222 15.743 1.00 0.00 H new ATOM 0 HG21 THR A 6 66.172 -17.347 15.135 1.00 0.00 H new ATOM 0 HG22 THR A 6 66.203 -16.180 13.792 1.00 0.00 H new ATOM 0 HG23 THR A 6 65.496 -15.716 15.357 1.00 0.00 H new ATOM 103 N VAL A 7 64.086 -14.671 11.492 1.00 0.00 N ATOM 104 CA VAL A 7 64.368 -14.546 10.061 1.00 0.00 C ATOM 105 C VAL A 7 65.870 -14.484 9.789 1.00 0.00 C ATOM 106 O VAL A 7 66.554 -13.557 10.224 1.00 0.00 O ATOM 107 CB VAL A 7 63.687 -13.287 9.490 1.00 0.00 C ATOM 108 CG1 VAL A 7 63.247 -13.533 8.034 1.00 0.00 C ATOM 109 CG2 VAL A 7 62.459 -12.930 10.338 1.00 0.00 C ATOM 0 H VAL A 7 64.105 -13.796 12.016 1.00 0.00 H new ATOM 0 HA VAL A 7 63.968 -15.432 9.569 1.00 0.00 H new ATOM 0 HB VAL A 7 64.400 -12.463 9.514 1.00 0.00 H new ATOM 0 HG11 VAL A 7 62.767 -12.636 7.642 1.00 0.00 H new ATOM 0 HG12 VAL A 7 64.119 -13.773 7.426 1.00 0.00 H new ATOM 0 HG13 VAL A 7 62.543 -14.364 8.002 1.00 0.00 H new ATOM 0 HG21 VAL A 7 61.981 -12.039 9.930 1.00 0.00 H new ATOM 0 HG22 VAL A 7 61.752 -13.760 10.323 1.00 0.00 H new ATOM 0 HG23 VAL A 7 62.770 -12.737 11.365 1.00 0.00 H new ATOM 119 N GLU A 8 66.366 -15.467 9.039 1.00 0.00 N ATOM 120 CA GLU A 8 67.779 -15.508 8.680 1.00 0.00 C ATOM 121 C GLU A 8 68.045 -14.464 7.606 1.00 0.00 C ATOM 122 O GLU A 8 67.401 -14.477 6.557 1.00 0.00 O ATOM 123 CB GLU A 8 68.150 -16.896 8.153 1.00 0.00 C ATOM 124 CG GLU A 8 68.021 -17.922 9.280 1.00 0.00 C ATOM 125 CD GLU A 8 68.158 -19.333 8.719 1.00 0.00 C ATOM 126 OE1 GLU A 8 68.955 -19.515 7.814 1.00 0.00 O ATOM 127 OE2 GLU A 8 67.463 -20.212 9.202 1.00 0.00 O ATOM 0 H GLU A 8 65.812 -16.241 8.671 1.00 0.00 H new ATOM 0 HA GLU A 8 68.384 -15.297 9.562 1.00 0.00 H new ATOM 0 HB2 GLU A 8 67.497 -17.168 7.323 1.00 0.00 H new ATOM 0 HB3 GLU A 8 69.170 -16.890 7.768 1.00 0.00 H new ATOM 0 HG2 GLU A 8 68.789 -17.745 10.033 1.00 0.00 H new ATOM 0 HG3 GLU A 8 67.056 -17.811 9.775 1.00 0.00 H new ATOM 134 N ILE A 9 68.968 -13.542 7.866 1.00 0.00 N ATOM 135 CA ILE A 9 69.247 -12.495 6.889 1.00 0.00 C ATOM 136 C ILE A 9 70.456 -12.811 6.038 1.00 0.00 C ATOM 137 O ILE A 9 71.461 -13.334 6.519 1.00 0.00 O ATOM 138 CB ILE A 9 69.518 -11.152 7.581 1.00 0.00 C ATOM 139 CG1 ILE A 9 68.766 -11.079 8.915 1.00 0.00 C ATOM 140 CG2 ILE A 9 69.081 -10.008 6.664 1.00 0.00 C ATOM 141 CD1 ILE A 9 68.269 -9.654 9.164 1.00 0.00 C ATOM 0 H ILE A 9 69.522 -13.497 8.721 1.00 0.00 H new ATOM 0 HA ILE A 9 68.360 -12.437 6.259 1.00 0.00 H new ATOM 0 HB ILE A 9 70.585 -11.063 7.783 1.00 0.00 H new ATOM 0 HG12 ILE A 9 67.923 -11.769 8.904 1.00 0.00 H new ATOM 0 HG13 ILE A 9 69.422 -11.390 9.728 1.00 0.00 H new ATOM 0 HG21 ILE A 9 69.273 -9.054 7.155 1.00 0.00 H new ATOM 0 HG22 ILE A 9 69.642 -10.055 5.731 1.00 0.00 H new ATOM 0 HG23 ILE A 9 68.016 -10.098 6.452 1.00 0.00 H new ATOM 0 HD11 ILE A 9 67.737 -9.615 10.114 1.00 0.00 H new ATOM 0 HD12 ILE A 9 69.119 -8.973 9.196 1.00 0.00 H new ATOM 0 HD13 ILE A 9 67.597 -9.357 8.359 1.00 0.00 H new ATOM 311 N ALA A 20 62.220 -1.117 7.734 1.00 0.00 N ATOM 312 CA ALA A 20 62.361 -1.153 9.180 1.00 0.00 C ATOM 313 C ALA A 20 61.546 -0.031 9.801 1.00 0.00 C ATOM 314 O ALA A 20 61.010 -0.168 10.899 1.00 0.00 O ATOM 315 CB ALA A 20 63.843 -0.989 9.546 1.00 0.00 C ATOM 0 HA ALA A 20 61.997 -2.107 9.561 1.00 0.00 H new ATOM 0 HB1 ALA A 20 63.955 -1.015 10.630 1.00 0.00 H new ATOM 0 HB2 ALA A 20 64.419 -1.801 9.102 1.00 0.00 H new ATOM 0 HB3 ALA A 20 64.208 -0.035 9.166 1.00 0.00 H new ATOM 321 N MET A 21 61.459 1.079 9.084 1.00 0.00 N ATOM 322 CA MET A 21 60.709 2.226 9.563 1.00 0.00 C ATOM 323 C MET A 21 59.211 1.993 9.398 1.00 0.00 C ATOM 324 O MET A 21 58.429 2.374 10.262 1.00 0.00 O ATOM 325 CB MET A 21 61.140 3.488 8.815 1.00 0.00 C ATOM 326 CG MET A 21 62.544 3.892 9.278 1.00 0.00 C ATOM 327 SD MET A 21 62.891 5.588 8.750 1.00 0.00 S ATOM 328 CE MET A 21 64.371 5.840 9.760 1.00 0.00 C ATOM 0 H MET A 21 61.897 1.208 8.172 1.00 0.00 H new ATOM 0 HA MET A 21 60.919 2.360 10.624 1.00 0.00 H new ATOM 0 HB2 MET A 21 61.136 3.307 7.740 1.00 0.00 H new ATOM 0 HB3 MET A 21 60.434 4.297 9.005 1.00 0.00 H new ATOM 0 HG2 MET A 21 62.616 3.816 10.363 1.00 0.00 H new ATOM 0 HG3 MET A 21 63.286 3.211 8.861 1.00 0.00 H new ATOM 0 HE1 MET A 21 64.762 6.843 9.589 1.00 0.00 H new ATOM 0 HE2 MET A 21 64.117 5.724 10.814 1.00 0.00 H new ATOM 0 HE3 MET A 21 65.128 5.105 9.487 1.00 0.00 H new ATOM 338 N LYS A 22 58.801 1.350 8.305 1.00 0.00 N ATOM 339 CA LYS A 22 57.374 1.086 8.121 1.00 0.00 C ATOM 340 C LYS A 22 56.809 0.543 9.414 1.00 0.00 C ATOM 341 O LYS A 22 55.871 1.098 9.966 1.00 0.00 O ATOM 342 CB LYS A 22 57.129 0.072 7.006 1.00 0.00 C ATOM 343 CG LYS A 22 57.991 0.433 5.813 1.00 0.00 C ATOM 344 CD LYS A 22 57.575 1.803 5.268 1.00 0.00 C ATOM 345 CE LYS A 22 58.103 1.970 3.842 1.00 0.00 C ATOM 346 NZ LYS A 22 57.913 3.381 3.402 1.00 0.00 N ATOM 0 H LYS A 22 59.410 1.013 7.559 1.00 0.00 H new ATOM 0 HA LYS A 22 56.885 2.020 7.843 1.00 0.00 H new ATOM 0 HB2 LYS A 22 57.368 -0.934 7.352 1.00 0.00 H new ATOM 0 HB3 LYS A 22 56.076 0.070 6.723 1.00 0.00 H new ATOM 0 HG2 LYS A 22 59.041 0.451 6.104 1.00 0.00 H new ATOM 0 HG3 LYS A 22 57.888 -0.324 5.036 1.00 0.00 H new ATOM 0 HD2 LYS A 22 56.489 1.895 5.277 1.00 0.00 H new ATOM 0 HD3 LYS A 22 57.967 2.594 5.907 1.00 0.00 H new ATOM 0 HE2 LYS A 22 59.159 1.705 3.801 1.00 0.00 H new ATOM 0 HE3 LYS A 22 57.578 1.294 3.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 58.272 3.494 2.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 56.901 3.619 3.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 58.433 4.017 4.040 1.00 0.00 H new ATOM 360 N LEU A 23 57.426 -0.521 9.914 1.00 0.00 N ATOM 361 CA LEU A 23 57.011 -1.124 11.171 1.00 0.00 C ATOM 362 C LEU A 23 56.482 -0.043 12.098 1.00 0.00 C ATOM 363 O LEU A 23 55.457 -0.202 12.755 1.00 0.00 O ATOM 364 CB LEU A 23 58.247 -1.735 11.819 1.00 0.00 C ATOM 365 CG LEU A 23 58.315 -3.239 11.592 1.00 0.00 C ATOM 366 CD1 LEU A 23 58.809 -3.544 10.173 1.00 0.00 C ATOM 367 CD2 LEU A 23 59.300 -3.799 12.604 1.00 0.00 C ATOM 0 H LEU A 23 58.217 -0.983 9.466 1.00 0.00 H new ATOM 0 HA LEU A 23 56.239 -1.872 10.994 1.00 0.00 H new ATOM 0 HB2 LEU A 23 59.142 -1.264 11.412 1.00 0.00 H new ATOM 0 HB3 LEU A 23 58.237 -1.528 12.889 1.00 0.00 H new ATOM 0 HG LEU A 23 57.328 -3.687 11.710 1.00 0.00 H new ATOM 0 HD11 LEU A 23 58.852 -4.623 10.027 1.00 0.00 H new ATOM 0 HD12 LEU A 23 58.123 -3.107 9.447 1.00 0.00 H new ATOM 0 HD13 LEU A 23 59.803 -3.119 10.035 1.00 0.00 H new ATOM 0 HD21 LEU A 23 59.379 -4.879 12.476 1.00 0.00 H new ATOM 0 HD22 LEU A 23 60.278 -3.343 12.451 1.00 0.00 H new ATOM 0 HD23 LEU A 23 58.951 -3.578 13.613 1.00 0.00 H new ATOM 379 N PHE A 24 57.215 1.053 12.130 1.00 0.00 N ATOM 380 CA PHE A 24 56.875 2.186 12.965 1.00 0.00 C ATOM 381 C PHE A 24 55.650 2.920 12.409 1.00 0.00 C ATOM 382 O PHE A 24 54.598 2.999 13.054 1.00 0.00 O ATOM 383 CB PHE A 24 58.074 3.132 12.998 1.00 0.00 C ATOM 384 CG PHE A 24 59.297 2.451 13.600 1.00 0.00 C ATOM 385 CD1 PHE A 24 59.607 1.104 13.324 1.00 0.00 C ATOM 386 CD2 PHE A 24 60.137 3.188 14.436 1.00 0.00 C ATOM 387 CE1 PHE A 24 60.746 0.518 13.889 1.00 0.00 C ATOM 388 CE2 PHE A 24 61.272 2.602 14.997 1.00 0.00 C ATOM 389 CZ PHE A 24 61.578 1.268 14.725 1.00 0.00 C ATOM 0 H PHE A 24 58.063 1.182 11.578 1.00 0.00 H new ATOM 0 HA PHE A 24 56.634 1.840 13.970 1.00 0.00 H new ATOM 0 HB2 PHE A 24 58.303 3.469 11.987 1.00 0.00 H new ATOM 0 HB3 PHE A 24 57.825 4.019 13.581 1.00 0.00 H new ATOM 0 HD1 PHE A 24 58.966 0.524 12.677 1.00 0.00 H new ATOM 0 HD2 PHE A 24 59.906 4.221 14.651 1.00 0.00 H new ATOM 0 HE1 PHE A 24 60.982 -0.515 13.679 1.00 0.00 H new ATOM 0 HE2 PHE A 24 61.915 3.182 15.643 1.00 0.00 H new ATOM 0 HZ PHE A 24 62.457 0.815 15.160 1.00 0.00 H new ATOM 399 N GLU A 25 55.781 3.432 11.193 1.00 0.00 N ATOM 400 CA GLU A 25 54.684 4.131 10.551 1.00 0.00 C ATOM 401 C GLU A 25 53.543 3.155 10.338 1.00 0.00 C ATOM 402 O GLU A 25 52.372 3.530 10.296 1.00 0.00 O ATOM 403 CB GLU A 25 55.163 4.695 9.213 1.00 0.00 C ATOM 404 CG GLU A 25 53.982 4.844 8.257 1.00 0.00 C ATOM 405 CD GLU A 25 54.321 5.837 7.150 1.00 0.00 C ATOM 406 OE1 GLU A 25 54.575 5.395 6.042 1.00 0.00 O ATOM 407 OE2 GLU A 25 54.322 7.026 7.427 1.00 0.00 O ATOM 0 H GLU A 25 56.633 3.375 10.636 1.00 0.00 H new ATOM 0 HA GLU A 25 54.339 4.955 11.175 1.00 0.00 H new ATOM 0 HB2 GLU A 25 55.641 5.662 9.367 1.00 0.00 H new ATOM 0 HB3 GLU A 25 55.913 4.034 8.778 1.00 0.00 H new ATOM 0 HG2 GLU A 25 53.732 3.876 7.823 1.00 0.00 H new ATOM 0 HG3 GLU A 25 53.103 5.185 8.804 1.00 0.00 H new ATOM 414 N LEU A 26 53.914 1.894 10.232 1.00 0.00 N ATOM 415 CA LEU A 26 52.953 0.829 10.055 1.00 0.00 C ATOM 416 C LEU A 26 52.384 0.462 11.413 1.00 0.00 C ATOM 417 O LEU A 26 51.216 0.101 11.527 1.00 0.00 O ATOM 418 CB LEU A 26 53.622 -0.368 9.362 1.00 0.00 C ATOM 419 CG LEU A 26 52.838 -1.645 9.617 1.00 0.00 C ATOM 420 CD1 LEU A 26 53.079 -2.087 11.069 1.00 0.00 C ATOM 421 CD2 LEU A 26 51.335 -1.407 9.337 1.00 0.00 C ATOM 0 H LEU A 26 54.885 1.583 10.266 1.00 0.00 H new ATOM 0 HA LEU A 26 52.132 1.151 9.414 1.00 0.00 H new ATOM 0 HB2 LEU A 26 53.687 -0.184 8.290 1.00 0.00 H new ATOM 0 HB3 LEU A 26 54.642 -0.483 9.728 1.00 0.00 H new ATOM 0 HG LEU A 26 53.173 -2.438 8.948 1.00 0.00 H new ATOM 0 HD11 LEU A 26 52.523 -3.003 11.268 1.00 0.00 H new ATOM 0 HD12 LEU A 26 54.143 -2.268 11.222 1.00 0.00 H new ATOM 0 HD13 LEU A 26 52.743 -1.304 11.748 1.00 0.00 H new ATOM 0 HD21 LEU A 26 50.780 -2.327 9.522 1.00 0.00 H new ATOM 0 HD22 LEU A 26 50.963 -0.620 9.993 1.00 0.00 H new ATOM 0 HD23 LEU A 26 51.202 -1.106 8.298 1.00 0.00 H new ATOM 433 N MET A 27 53.199 0.594 12.456 1.00 0.00 N ATOM 434 CA MET A 27 52.713 0.310 13.795 1.00 0.00 C ATOM 435 C MET A 27 51.442 1.115 13.973 1.00 0.00 C ATOM 436 O MET A 27 50.507 0.699 14.656 1.00 0.00 O ATOM 437 CB MET A 27 53.751 0.704 14.863 1.00 0.00 C ATOM 438 CG MET A 27 54.455 -0.545 15.410 1.00 0.00 C ATOM 439 SD MET A 27 55.130 -0.188 17.053 1.00 0.00 S ATOM 440 CE MET A 27 53.563 -0.162 17.962 1.00 0.00 C ATOM 0 H MET A 27 54.174 0.888 12.400 1.00 0.00 H new ATOM 0 HA MET A 27 52.529 -0.758 13.916 1.00 0.00 H new ATOM 0 HB2 MET A 27 54.486 1.384 14.432 1.00 0.00 H new ATOM 0 HB3 MET A 27 53.260 1.239 15.676 1.00 0.00 H new ATOM 0 HG2 MET A 27 53.752 -1.376 15.467 1.00 0.00 H new ATOM 0 HG3 MET A 27 55.255 -0.850 14.735 1.00 0.00 H new ATOM 0 HE1 MET A 27 53.400 0.833 18.377 1.00 0.00 H new ATOM 0 HE2 MET A 27 52.746 -0.412 17.285 1.00 0.00 H new ATOM 0 HE3 MET A 27 53.600 -0.891 18.771 1.00 0.00 H new ATOM 450 N GLN A 28 51.407 2.262 13.297 1.00 0.00 N ATOM 451 CA GLN A 28 50.231 3.109 13.328 1.00 0.00 C ATOM 452 C GLN A 28 49.165 2.464 12.440 1.00 0.00 C ATOM 453 O GLN A 28 47.973 2.744 12.564 1.00 0.00 O ATOM 454 CB GLN A 28 50.603 4.519 12.836 1.00 0.00 C ATOM 455 CG GLN A 28 49.461 5.141 12.027 1.00 0.00 C ATOM 456 CD GLN A 28 48.209 5.260 12.890 1.00 0.00 C ATOM 457 OE1 GLN A 28 48.288 5.167 14.115 1.00 0.00 O ATOM 458 NE2 GLN A 28 47.052 5.463 12.321 1.00 0.00 N ATOM 0 H GLN A 28 52.175 2.618 12.728 1.00 0.00 H new ATOM 0 HA GLN A 28 49.840 3.208 14.341 1.00 0.00 H new ATOM 0 HB2 GLN A 28 50.836 5.155 13.690 1.00 0.00 H new ATOM 0 HB3 GLN A 28 51.502 4.468 12.222 1.00 0.00 H new ATOM 0 HG2 GLN A 28 49.757 6.125 11.664 1.00 0.00 H new ATOM 0 HG3 GLN A 28 49.251 4.528 11.150 1.00 0.00 H new ATOM 0 HE21 GLN A 28 46.989 5.540 11.306 1.00 0.00 H new ATOM 0 HE22 GLN A 28 46.210 5.545 12.892 1.00 0.00 H new ATOM 467 N GLY A 29 49.622 1.572 11.558 1.00 0.00 N ATOM 468 CA GLY A 29 48.723 0.849 10.654 1.00 0.00 C ATOM 469 C GLY A 29 48.208 -0.418 11.328 1.00 0.00 C ATOM 470 O GLY A 29 47.001 -0.655 11.390 1.00 0.00 O ATOM 0 H GLY A 29 50.608 1.333 11.450 1.00 0.00 H new ATOM 0 HA2 GLY A 29 47.885 1.488 10.375 1.00 0.00 H new ATOM 0 HA3 GLY A 29 49.249 0.593 9.734 1.00 0.00 H new ATOM 474 N PHE A 30 49.133 -1.204 11.873 1.00 0.00 N ATOM 475 CA PHE A 30 48.770 -2.423 12.592 1.00 0.00 C ATOM 476 C PHE A 30 48.946 -2.160 14.078 1.00 0.00 C ATOM 477 O PHE A 30 49.913 -1.519 14.485 1.00 0.00 O ATOM 478 CB PHE A 30 49.672 -3.610 12.234 1.00 0.00 C ATOM 479 CG PHE A 30 49.679 -3.925 10.750 1.00 0.00 C ATOM 480 CD1 PHE A 30 48.496 -4.043 10.012 1.00 0.00 C ATOM 481 CD2 PHE A 30 50.902 -4.146 10.129 1.00 0.00 C ATOM 482 CE1 PHE A 30 48.562 -4.379 8.649 1.00 0.00 C ATOM 483 CE2 PHE A 30 50.976 -4.476 8.781 1.00 0.00 C ATOM 484 CZ PHE A 30 49.808 -4.595 8.034 1.00 0.00 C ATOM 0 H PHE A 30 50.135 -1.020 11.831 1.00 0.00 H new ATOM 0 HA PHE A 30 47.745 -2.674 12.320 1.00 0.00 H new ATOM 0 HB2 PHE A 30 50.690 -3.396 12.559 1.00 0.00 H new ATOM 0 HB3 PHE A 30 49.340 -4.490 12.785 1.00 0.00 H new ATOM 0 HD1 PHE A 30 47.540 -3.877 10.486 1.00 0.00 H new ATOM 0 HD2 PHE A 30 51.812 -4.060 10.704 1.00 0.00 H new ATOM 0 HE1 PHE A 30 47.653 -4.472 8.072 1.00 0.00 H new ATOM 0 HE2 PHE A 30 51.936 -4.639 8.315 1.00 0.00 H new ATOM 0 HZ PHE A 30 49.858 -4.852 6.986 1.00 0.00 H new ATOM 494 N ASP A 31 48.043 -2.679 14.893 1.00 0.00 N ATOM 495 CA ASP A 31 48.161 -2.507 16.322 1.00 0.00 C ATOM 496 C ASP A 31 48.849 -3.733 16.853 1.00 0.00 C ATOM 497 O ASP A 31 48.246 -4.800 16.956 1.00 0.00 O ATOM 498 CB ASP A 31 46.784 -2.338 16.960 1.00 0.00 C ATOM 499 CG ASP A 31 46.924 -2.132 18.465 1.00 0.00 C ATOM 500 OD1 ASP A 31 46.075 -1.466 19.033 1.00 0.00 O ATOM 501 OD2 ASP A 31 47.879 -2.643 19.026 1.00 0.00 O ATOM 0 H ASP A 31 47.231 -3.216 14.590 1.00 0.00 H new ATOM 0 HA ASP A 31 48.733 -1.610 16.560 1.00 0.00 H new ATOM 0 HB2 ASP A 31 46.271 -1.486 16.515 1.00 0.00 H new ATOM 0 HB3 ASP A 31 46.172 -3.218 16.761 1.00 0.00 H new ATOM 506 N ALA A 32 50.130 -3.604 17.136 1.00 0.00 N ATOM 507 CA ALA A 32 50.875 -4.726 17.590 1.00 0.00 C ATOM 508 C ALA A 32 52.223 -4.278 18.088 1.00 0.00 C ATOM 509 O ALA A 32 52.745 -3.240 17.682 1.00 0.00 O ATOM 510 CB ALA A 32 51.031 -5.710 16.449 1.00 0.00 C ATOM 0 H ALA A 32 50.659 -2.736 17.056 1.00 0.00 H new ATOM 0 HA ALA A 32 50.349 -5.211 18.412 1.00 0.00 H new ATOM 0 HB1 ALA A 32 51.602 -6.574 16.789 1.00 0.00 H new ATOM 0 HB2 ALA A 32 50.047 -6.035 16.112 1.00 0.00 H new ATOM 0 HB3 ALA A 32 51.557 -5.230 15.624 1.00 0.00 H new ATOM 516 N GLU A 33 52.764 -5.060 18.983 1.00 0.00 N ATOM 517 CA GLU A 33 54.037 -4.765 19.573 1.00 0.00 C ATOM 518 C GLU A 33 55.071 -5.729 19.055 1.00 0.00 C ATOM 519 O GLU A 33 55.308 -6.797 19.619 1.00 0.00 O ATOM 520 CB GLU A 33 53.879 -4.883 21.061 1.00 0.00 C ATOM 521 CG GLU A 33 54.499 -3.663 21.720 1.00 0.00 C ATOM 522 CD GLU A 33 54.525 -3.834 23.235 1.00 0.00 C ATOM 523 OE1 GLU A 33 55.181 -4.753 23.696 1.00 0.00 O ATOM 524 OE2 GLU A 33 53.889 -3.042 23.912 1.00 0.00 O ATOM 0 H GLU A 33 52.332 -5.920 19.322 1.00 0.00 H new ATOM 0 HA GLU A 33 54.370 -3.759 19.317 1.00 0.00 H new ATOM 0 HB2 GLU A 33 52.824 -4.958 21.323 1.00 0.00 H new ATOM 0 HB3 GLU A 33 54.362 -5.792 21.420 1.00 0.00 H new ATOM 0 HG2 GLU A 33 55.512 -3.515 21.347 1.00 0.00 H new ATOM 0 HG3 GLU A 33 53.930 -2.771 21.458 1.00 0.00 H new ATOM 531 N VAL A 34 55.648 -5.343 17.948 1.00 0.00 N ATOM 532 CA VAL A 34 56.635 -6.162 17.288 1.00 0.00 C ATOM 533 C VAL A 34 58.044 -5.787 17.713 1.00 0.00 C ATOM 534 O VAL A 34 58.508 -4.675 17.482 1.00 0.00 O ATOM 535 CB VAL A 34 56.423 -6.072 15.772 1.00 0.00 C ATOM 536 CG1 VAL A 34 54.944 -5.796 15.489 1.00 0.00 C ATOM 537 CG2 VAL A 34 57.251 -4.953 15.162 1.00 0.00 C ATOM 0 H VAL A 34 55.450 -4.459 17.479 1.00 0.00 H new ATOM 0 HA VAL A 34 56.510 -7.203 17.587 1.00 0.00 H new ATOM 0 HB VAL A 34 56.735 -7.018 15.328 1.00 0.00 H new ATOM 0 HG11 VAL A 34 54.786 -5.731 14.413 1.00 0.00 H new ATOM 0 HG12 VAL A 34 54.338 -6.605 15.896 1.00 0.00 H new ATOM 0 HG13 VAL A 34 54.654 -4.855 15.956 1.00 0.00 H new ATOM 0 HG21 VAL A 34 57.077 -4.917 14.087 1.00 0.00 H new ATOM 0 HG22 VAL A 34 56.962 -4.002 15.609 1.00 0.00 H new ATOM 0 HG23 VAL A 34 58.308 -5.137 15.353 1.00 0.00 H new ATOM 547 N LEU A 35 58.708 -6.738 18.370 1.00 0.00 N ATOM 548 CA LEU A 35 60.060 -6.519 18.864 1.00 0.00 C ATOM 549 C LEU A 35 61.071 -7.254 17.987 1.00 0.00 C ATOM 550 O LEU A 35 60.963 -8.458 17.758 1.00 0.00 O ATOM 551 CB LEU A 35 60.135 -6.986 20.329 1.00 0.00 C ATOM 552 CG LEU A 35 61.567 -7.367 20.761 1.00 0.00 C ATOM 553 CD1 LEU A 35 61.966 -8.737 20.182 1.00 0.00 C ATOM 554 CD2 LEU A 35 62.568 -6.288 20.317 1.00 0.00 C ATOM 0 H LEU A 35 58.330 -7.664 18.570 1.00 0.00 H new ATOM 0 HA LEU A 35 60.307 -5.458 18.821 1.00 0.00 H new ATOM 0 HB2 LEU A 35 59.763 -6.193 20.978 1.00 0.00 H new ATOM 0 HB3 LEU A 35 59.478 -7.845 20.466 1.00 0.00 H new ATOM 0 HG LEU A 35 61.587 -7.435 21.849 1.00 0.00 H new ATOM 0 HD11 LEU A 35 62.979 -8.985 20.499 1.00 0.00 H new ATOM 0 HD12 LEU A 35 61.276 -9.499 20.543 1.00 0.00 H new ATOM 0 HD13 LEU A 35 61.926 -8.697 19.093 1.00 0.00 H new ATOM 0 HD21 LEU A 35 63.573 -6.573 20.630 1.00 0.00 H new ATOM 0 HD22 LEU A 35 62.540 -6.190 19.232 1.00 0.00 H new ATOM 0 HD23 LEU A 35 62.302 -5.335 20.774 1.00 0.00 H new ATOM 566 N LEU A 36 62.034 -6.499 17.477 1.00 0.00 N ATOM 567 CA LEU A 36 63.067 -7.037 16.595 1.00 0.00 C ATOM 568 C LEU A 36 64.388 -7.256 17.332 1.00 0.00 C ATOM 569 O LEU A 36 64.886 -6.348 17.988 1.00 0.00 O ATOM 570 CB LEU A 36 63.300 -6.026 15.485 1.00 0.00 C ATOM 571 CG LEU A 36 62.219 -6.170 14.423 1.00 0.00 C ATOM 572 CD1 LEU A 36 60.850 -5.924 15.058 1.00 0.00 C ATOM 573 CD2 LEU A 36 62.459 -5.136 13.331 1.00 0.00 C ATOM 0 H LEU A 36 62.124 -5.500 17.660 1.00 0.00 H new ATOM 0 HA LEU A 36 62.731 -8.000 16.211 1.00 0.00 H new ATOM 0 HB2 LEU A 36 63.290 -5.015 15.893 1.00 0.00 H new ATOM 0 HB3 LEU A 36 64.283 -6.180 15.040 1.00 0.00 H new ATOM 0 HG LEU A 36 62.249 -7.173 13.998 1.00 0.00 H new ATOM 0 HD11 LEU A 36 60.074 -6.026 14.300 1.00 0.00 H new ATOM 0 HD12 LEU A 36 60.681 -6.652 15.851 1.00 0.00 H new ATOM 0 HD13 LEU A 36 60.818 -4.918 15.476 1.00 0.00 H new ATOM 0 HD21 LEU A 36 61.690 -5.231 12.565 1.00 0.00 H new ATOM 0 HD22 LEU A 36 62.420 -4.136 13.762 1.00 0.00 H new ATOM 0 HD23 LEU A 36 63.439 -5.300 12.883 1.00 0.00 H new ATOM 585 N ARG A 37 64.971 -8.449 17.207 1.00 0.00 N ATOM 586 CA ARG A 37 66.236 -8.726 17.851 1.00 0.00 C ATOM 587 C ARG A 37 67.060 -9.706 17.048 1.00 0.00 C ATOM 588 O ARG A 37 66.536 -10.470 16.245 1.00 0.00 O ATOM 589 CB ARG A 37 66.016 -9.309 19.236 1.00 0.00 C ATOM 590 CG ARG A 37 65.172 -10.575 19.140 1.00 0.00 C ATOM 591 CD ARG A 37 64.640 -10.968 20.526 1.00 0.00 C ATOM 592 NE ARG A 37 65.502 -11.979 21.128 1.00 0.00 N ATOM 593 CZ ARG A 37 65.438 -12.252 22.427 1.00 0.00 C ATOM 594 NH1 ARG A 37 66.218 -13.164 22.941 1.00 0.00 N ATOM 595 NH2 ARG A 37 64.596 -11.609 23.188 1.00 0.00 N ATOM 0 H ARG A 37 64.585 -9.225 16.670 1.00 0.00 H new ATOM 0 HA ARG A 37 66.770 -7.779 17.924 1.00 0.00 H new ATOM 0 HB2 ARG A 37 66.975 -9.536 19.701 1.00 0.00 H new ATOM 0 HB3 ARG A 37 65.518 -8.578 19.873 1.00 0.00 H new ATOM 0 HG2 ARG A 37 64.339 -10.414 18.456 1.00 0.00 H new ATOM 0 HG3 ARG A 37 65.770 -11.388 18.728 1.00 0.00 H new ATOM 0 HD2 ARG A 37 64.594 -10.089 21.169 1.00 0.00 H new ATOM 0 HD3 ARG A 37 63.624 -11.352 20.438 1.00 0.00 H new ATOM 0 HE ARG A 37 66.166 -12.485 20.542 1.00 0.00 H new ATOM 0 HH11 ARG A 37 66.876 -13.667 22.346 1.00 0.00 H new ATOM 0 HH12 ARG A 37 66.169 -13.374 23.938 1.00 0.00 H new ATOM 0 HH21 ARG A 37 63.987 -10.897 22.786 1.00 0.00 H new ATOM 0 HH22 ARG A 37 64.547 -11.819 24.185 1.00 0.00 H new ATOM 609 N ASN A 38 68.353 -9.703 17.313 1.00 0.00 N ATOM 610 CA ASN A 38 69.262 -10.622 16.649 1.00 0.00 C ATOM 611 C ASN A 38 69.616 -11.760 17.583 1.00 0.00 C ATOM 612 O ASN A 38 69.915 -11.525 18.760 1.00 0.00 O ATOM 613 CB ASN A 38 70.594 -9.968 16.322 1.00 0.00 C ATOM 614 CG ASN A 38 70.483 -8.764 15.428 1.00 0.00 C ATOM 615 OD1 ASN A 38 69.430 -8.470 14.871 1.00 0.00 O ATOM 616 ND2 ASN A 38 71.553 -8.047 15.262 1.00 0.00 N ATOM 0 H ASN A 38 68.798 -9.076 17.983 1.00 0.00 H new ATOM 0 HA ASN A 38 68.751 -10.950 15.744 1.00 0.00 H new ATOM 0 HB2 ASN A 38 71.080 -9.673 17.252 1.00 0.00 H new ATOM 0 HB3 ASN A 38 71.240 -10.704 15.844 1.00 0.00 H new ATOM 0 HD21 ASN A 38 71.527 -7.224 14.660 1.00 0.00 H new ATOM 0 HD22 ASN A 38 72.419 -8.307 15.733 1.00 0.00 H new ATOM 623 N ASP A 39 69.661 -12.974 17.056 1.00 0.00 N ATOM 624 CA ASP A 39 70.066 -14.105 17.876 1.00 0.00 C ATOM 625 C ASP A 39 71.449 -13.817 18.460 1.00 0.00 C ATOM 626 O ASP A 39 71.967 -14.579 19.276 1.00 0.00 O ATOM 627 CB ASP A 39 70.116 -15.386 17.044 1.00 0.00 C ATOM 628 CG ASP A 39 70.339 -16.589 17.954 1.00 0.00 C ATOM 629 OD1 ASP A 39 69.373 -17.274 18.246 1.00 0.00 O ATOM 630 OD2 ASP A 39 71.474 -16.808 18.346 1.00 0.00 O ATOM 0 H ASP A 39 69.428 -13.199 16.089 1.00 0.00 H new ATOM 0 HA ASP A 39 69.340 -14.246 18.676 1.00 0.00 H new ATOM 0 HB2 ASP A 39 69.185 -15.506 16.490 1.00 0.00 H new ATOM 0 HB3 ASP A 39 70.919 -15.321 16.309 1.00 0.00 H new ATOM 635 N GLU A 40 72.029 -12.690 18.035 1.00 0.00 N ATOM 636 CA GLU A 40 73.343 -12.269 18.515 1.00 0.00 C ATOM 637 C GLU A 40 73.211 -11.737 19.933 1.00 0.00 C ATOM 638 O GLU A 40 74.188 -11.666 20.679 1.00 0.00 O ATOM 639 CB GLU A 40 73.888 -11.134 17.627 1.00 0.00 C ATOM 640 CG GLU A 40 74.886 -11.670 16.603 1.00 0.00 C ATOM 641 CD GLU A 40 76.159 -12.135 17.302 1.00 0.00 C ATOM 642 OE1 GLU A 40 76.840 -11.295 17.868 1.00 0.00 O ATOM 643 OE2 GLU A 40 76.434 -13.322 17.262 1.00 0.00 O ATOM 0 H GLU A 40 71.606 -12.054 17.359 1.00 0.00 H new ATOM 0 HA GLU A 40 74.020 -13.123 18.485 1.00 0.00 H new ATOM 0 HB2 GLU A 40 73.063 -10.642 17.112 1.00 0.00 H new ATOM 0 HB3 GLU A 40 74.370 -10.380 18.250 1.00 0.00 H new ATOM 0 HG2 GLU A 40 74.442 -12.498 16.051 1.00 0.00 H new ATOM 0 HG3 GLU A 40 75.124 -10.894 15.876 1.00 0.00 H new ATOM 650 N GLY A 41 71.993 -11.340 20.283 1.00 0.00 N ATOM 651 CA GLY A 41 71.728 -10.783 21.598 1.00 0.00 C ATOM 652 C GLY A 41 71.340 -9.320 21.458 1.00 0.00 C ATOM 653 O GLY A 41 71.225 -8.598 22.448 1.00 0.00 O ATOM 0 H GLY A 41 71.177 -11.395 19.674 1.00 0.00 H new ATOM 0 HA2 GLY A 41 70.926 -11.338 22.085 1.00 0.00 H new ATOM 0 HA3 GLY A 41 72.611 -10.878 22.230 1.00 0.00 H new ATOM 657 N THR A 42 71.119 -8.894 20.213 1.00 0.00 N ATOM 658 CA THR A 42 70.719 -7.512 19.955 1.00 0.00 C ATOM 659 C THR A 42 69.204 -7.439 19.954 1.00 0.00 C ATOM 660 O THR A 42 68.540 -8.293 19.375 1.00 0.00 O ATOM 661 CB THR A 42 71.293 -7.005 18.614 1.00 0.00 C ATOM 662 OG1 THR A 42 72.346 -6.089 18.878 1.00 0.00 O ATOM 663 CG2 THR A 42 70.208 -6.297 17.788 1.00 0.00 C ATOM 0 H THR A 42 71.209 -9.476 19.380 1.00 0.00 H new ATOM 0 HA THR A 42 71.119 -6.868 20.738 1.00 0.00 H new ATOM 0 HB THR A 42 71.663 -7.859 18.046 1.00 0.00 H new ATOM 0 HG1 THR A 42 72.820 -5.887 18.045 1.00 0.00 H new ATOM 0 HG21 THR A 42 70.636 -5.949 16.848 1.00 0.00 H new ATOM 0 HG22 THR A 42 69.396 -6.994 17.581 1.00 0.00 H new ATOM 0 HG23 THR A 42 69.822 -5.446 18.348 1.00 0.00 H new ATOM 671 N GLU A 43 68.666 -6.423 20.609 1.00 0.00 N ATOM 672 CA GLU A 43 67.220 -6.257 20.687 1.00 0.00 C ATOM 673 C GLU A 43 66.811 -4.890 20.178 1.00 0.00 C ATOM 674 O GLU A 43 67.399 -3.876 20.553 1.00 0.00 O ATOM 675 CB GLU A 43 66.749 -6.434 22.133 1.00 0.00 C ATOM 676 CG GLU A 43 67.694 -5.687 23.075 1.00 0.00 C ATOM 677 CD GLU A 43 67.077 -5.598 24.467 1.00 0.00 C ATOM 678 OE1 GLU A 43 66.434 -4.600 24.746 1.00 0.00 O ATOM 679 OE2 GLU A 43 67.257 -6.530 25.233 1.00 0.00 O ATOM 0 H GLU A 43 69.203 -5.703 21.093 1.00 0.00 H new ATOM 0 HA GLU A 43 66.752 -7.017 20.061 1.00 0.00 H new ATOM 0 HB2 GLU A 43 65.733 -6.055 22.244 1.00 0.00 H new ATOM 0 HB3 GLU A 43 66.724 -7.493 22.391 1.00 0.00 H new ATOM 0 HG2 GLU A 43 68.653 -6.202 23.125 1.00 0.00 H new ATOM 0 HG3 GLU A 43 67.889 -4.686 22.690 1.00 0.00 H new ATOM 686 N ALA A 44 65.808 -4.866 19.306 1.00 0.00 N ATOM 687 CA ALA A 44 65.348 -3.613 18.741 1.00 0.00 C ATOM 688 C ALA A 44 63.843 -3.445 18.875 1.00 0.00 C ATOM 689 O ALA A 44 63.068 -4.237 18.339 1.00 0.00 O ATOM 690 CB ALA A 44 65.704 -3.561 17.265 1.00 0.00 C ATOM 0 H ALA A 44 65.306 -5.693 18.981 1.00 0.00 H new ATOM 0 HA ALA A 44 65.837 -2.810 19.292 1.00 0.00 H new ATOM 0 HB1 ALA A 44 65.358 -2.619 16.840 1.00 0.00 H new ATOM 0 HB2 ALA A 44 66.785 -3.636 17.149 1.00 0.00 H new ATOM 0 HB3 ALA A 44 65.225 -4.391 16.746 1.00 0.00 H new ATOM 696 N GLU A 45 63.437 -2.380 19.551 1.00 0.00 N ATOM 697 CA GLU A 45 62.027 -2.082 19.702 1.00 0.00 C ATOM 698 C GLU A 45 61.531 -1.421 18.424 1.00 0.00 C ATOM 699 O GLU A 45 61.976 -0.328 18.073 1.00 0.00 O ATOM 700 CB GLU A 45 61.815 -1.143 20.890 1.00 0.00 C ATOM 701 CG GLU A 45 61.896 -1.939 22.192 1.00 0.00 C ATOM 702 CD GLU A 45 61.888 -0.991 23.386 1.00 0.00 C ATOM 703 OE1 GLU A 45 62.962 -0.653 23.856 1.00 0.00 O ATOM 704 OE2 GLU A 45 60.808 -0.618 23.814 1.00 0.00 O ATOM 0 H GLU A 45 64.064 -1.713 20.001 1.00 0.00 H new ATOM 0 HA GLU A 45 61.472 -3.002 19.884 1.00 0.00 H new ATOM 0 HB2 GLU A 45 62.570 -0.357 20.885 1.00 0.00 H new ATOM 0 HB3 GLU A 45 60.844 -0.653 20.811 1.00 0.00 H new ATOM 0 HG2 GLU A 45 61.054 -2.628 22.259 1.00 0.00 H new ATOM 0 HG3 GLU A 45 62.804 -2.542 22.203 1.00 0.00 H new ATOM 711 N ALA A 46 60.635 -2.098 17.717 1.00 0.00 N ATOM 712 CA ALA A 46 60.102 -1.584 16.460 1.00 0.00 C ATOM 713 C ALA A 46 59.626 -0.130 16.566 1.00 0.00 C ATOM 714 O ALA A 46 58.892 0.342 15.699 1.00 0.00 O ATOM 715 CB ALA A 46 58.927 -2.446 16.031 1.00 0.00 C ATOM 0 H ALA A 46 60.261 -3.006 17.993 1.00 0.00 H new ATOM 0 HA ALA A 46 60.911 -1.616 15.730 1.00 0.00 H new ATOM 0 HB1 ALA A 46 58.523 -2.068 15.092 1.00 0.00 H new ATOM 0 HB2 ALA A 46 59.261 -3.475 15.895 1.00 0.00 H new ATOM 0 HB3 ALA A 46 58.153 -2.414 16.798 1.00 0.00 H new ATOM 721 N ASN A 47 60.031 0.576 17.619 1.00 0.00 N ATOM 722 CA ASN A 47 59.621 1.967 17.798 1.00 0.00 C ATOM 723 C ASN A 47 60.839 2.881 17.913 1.00 0.00 C ATOM 724 O ASN A 47 60.702 4.090 18.103 1.00 0.00 O ATOM 725 CB ASN A 47 58.749 2.095 19.049 1.00 0.00 C ATOM 726 CG ASN A 47 58.504 3.565 19.374 1.00 0.00 C ATOM 727 OD1 ASN A 47 59.290 4.178 20.216 1.00 0.00 O flip ATOM 728 ND2 ASN A 47 57.572 4.172 18.846 1.00 0.00 N flip ATOM 0 H ASN A 47 60.637 0.213 18.355 1.00 0.00 H new ATOM 0 HA ASN A 47 59.045 2.273 16.925 1.00 0.00 H new ATOM 0 HB2 ASN A 47 57.798 1.587 18.891 1.00 0.00 H new ATOM 0 HB3 ASN A 47 59.236 1.605 19.892 1.00 0.00 H new ATOM 0 HD21 ASN A 47 56.958 3.692 18.188 1.00 0.00 H new ATOM 0 HD22 ASN A 47 57.414 5.155 19.067 1.00 0.00 H new ATOM 735 N SER A 48 62.032 2.301 17.787 1.00 0.00 N ATOM 736 CA SER A 48 63.266 3.080 17.868 1.00 0.00 C ATOM 737 C SER A 48 64.179 2.761 16.683 1.00 0.00 C ATOM 738 O SER A 48 64.360 1.599 16.323 1.00 0.00 O ATOM 739 CB SER A 48 63.988 2.768 19.182 1.00 0.00 C ATOM 740 OG SER A 48 63.700 3.790 20.128 1.00 0.00 O ATOM 0 H SER A 48 62.170 1.303 17.630 1.00 0.00 H new ATOM 0 HA SER A 48 63.015 4.140 17.837 1.00 0.00 H new ATOM 0 HB2 SER A 48 63.667 1.800 19.566 1.00 0.00 H new ATOM 0 HB3 SER A 48 65.063 2.704 19.014 1.00 0.00 H new ATOM 0 HG SER A 48 64.159 3.594 20.971 1.00 0.00 H new ATOM 746 N VAL A 49 64.749 3.799 16.077 1.00 0.00 N ATOM 747 CA VAL A 49 65.639 3.606 14.935 1.00 0.00 C ATOM 748 C VAL A 49 66.947 2.979 15.388 1.00 0.00 C ATOM 749 O VAL A 49 67.483 2.093 14.723 1.00 0.00 O ATOM 750 CB VAL A 49 65.912 4.941 14.248 1.00 0.00 C ATOM 751 CG1 VAL A 49 66.461 4.692 12.842 1.00 0.00 C ATOM 752 CG2 VAL A 49 64.606 5.733 14.153 1.00 0.00 C ATOM 0 H VAL A 49 64.613 4.772 16.353 1.00 0.00 H new ATOM 0 HA VAL A 49 65.154 2.936 14.225 1.00 0.00 H new ATOM 0 HB VAL A 49 66.644 5.506 14.825 1.00 0.00 H new ATOM 0 HG11 VAL A 49 66.655 5.647 12.353 1.00 0.00 H new ATOM 0 HG12 VAL A 49 67.388 4.123 12.909 1.00 0.00 H new ATOM 0 HG13 VAL A 49 65.731 4.129 12.261 1.00 0.00 H new ATOM 0 HG21 VAL A 49 64.795 6.688 13.663 1.00 0.00 H new ATOM 0 HG22 VAL A 49 63.878 5.165 13.574 1.00 0.00 H new ATOM 0 HG23 VAL A 49 64.214 5.910 15.155 1.00 0.00 H new ATOM 762 N ILE A 50 67.438 3.412 16.543 1.00 0.00 N ATOM 763 CA ILE A 50 68.647 2.860 17.092 1.00 0.00 C ATOM 764 C ILE A 50 68.467 1.358 17.147 1.00 0.00 C ATOM 765 O ILE A 50 69.383 0.577 16.888 1.00 0.00 O ATOM 766 CB ILE A 50 68.825 3.463 18.488 1.00 0.00 C ATOM 767 CG1 ILE A 50 70.202 4.121 18.608 1.00 0.00 C ATOM 768 CG2 ILE A 50 68.648 2.404 19.566 1.00 0.00 C ATOM 769 CD1 ILE A 50 71.303 3.054 18.583 1.00 0.00 C ATOM 0 H ILE A 50 67.010 4.144 17.109 1.00 0.00 H new ATOM 0 HA ILE A 50 69.532 3.085 16.497 1.00 0.00 H new ATOM 0 HB ILE A 50 68.057 4.223 18.632 1.00 0.00 H new ATOM 0 HG12 ILE A 50 70.349 4.825 17.789 1.00 0.00 H new ATOM 0 HG13 ILE A 50 70.260 4.693 19.534 1.00 0.00 H new ATOM 0 HG21 ILE A 50 68.780 2.859 20.548 1.00 0.00 H new ATOM 0 HG22 ILE A 50 67.648 1.976 19.495 1.00 0.00 H new ATOM 0 HG23 ILE A 50 69.390 1.617 19.428 1.00 0.00 H new ATOM 0 HD11 ILE A 50 72.278 3.535 18.669 1.00 0.00 H new ATOM 0 HD12 ILE A 50 71.163 2.367 19.417 1.00 0.00 H new ATOM 0 HD13 ILE A 50 71.253 2.501 17.645 1.00 0.00 H new ATOM 781 N ALA A 51 67.237 0.988 17.459 1.00 0.00 N ATOM 782 CA ALA A 51 66.834 -0.389 17.532 1.00 0.00 C ATOM 783 C ALA A 51 67.129 -1.064 16.200 1.00 0.00 C ATOM 784 O ALA A 51 67.910 -2.009 16.124 1.00 0.00 O ATOM 785 CB ALA A 51 65.330 -0.415 17.831 1.00 0.00 C ATOM 0 H ALA A 51 66.489 1.649 17.669 1.00 0.00 H new ATOM 0 HA ALA A 51 67.376 -0.922 18.314 1.00 0.00 H new ATOM 0 HB1 ALA A 51 64.989 -1.448 17.893 1.00 0.00 H new ATOM 0 HB2 ALA A 51 65.139 0.088 18.779 1.00 0.00 H new ATOM 0 HB3 ALA A 51 64.792 0.097 17.033 1.00 0.00 H new ATOM 791 N LEU A 52 66.513 -0.544 15.149 1.00 0.00 N ATOM 792 CA LEU A 52 66.711 -1.070 13.814 1.00 0.00 C ATOM 793 C LEU A 52 68.196 -1.094 13.468 1.00 0.00 C ATOM 794 O LEU A 52 68.726 -2.105 12.997 1.00 0.00 O ATOM 795 CB LEU A 52 65.947 -0.193 12.820 1.00 0.00 C ATOM 796 CG LEU A 52 64.453 -0.191 13.179 1.00 0.00 C ATOM 797 CD1 LEU A 52 63.756 0.994 12.494 1.00 0.00 C ATOM 798 CD2 LEU A 52 63.795 -1.508 12.729 1.00 0.00 C ATOM 0 H LEU A 52 65.869 0.246 15.199 1.00 0.00 H new ATOM 0 HA LEU A 52 66.336 -2.092 13.764 1.00 0.00 H new ATOM 0 HB2 LEU A 52 66.338 0.824 12.841 1.00 0.00 H new ATOM 0 HB3 LEU A 52 66.087 -0.567 11.806 1.00 0.00 H new ATOM 0 HG LEU A 52 64.352 -0.096 14.260 1.00 0.00 H new ATOM 0 HD11 LEU A 52 62.697 0.991 12.751 1.00 0.00 H new ATOM 0 HD12 LEU A 52 64.209 1.927 12.831 1.00 0.00 H new ATOM 0 HD13 LEU A 52 63.867 0.906 11.413 1.00 0.00 H new ATOM 0 HD21 LEU A 52 62.737 -1.494 12.989 1.00 0.00 H new ATOM 0 HD22 LEU A 52 63.902 -1.618 11.650 1.00 0.00 H new ATOM 0 HD23 LEU A 52 64.280 -2.346 13.229 1.00 0.00 H new ATOM 810 N LEU A 53 68.865 0.023 13.714 1.00 0.00 N ATOM 811 CA LEU A 53 70.289 0.124 13.434 1.00 0.00 C ATOM 812 C LEU A 53 71.061 -0.947 14.205 1.00 0.00 C ATOM 813 O LEU A 53 72.031 -1.512 13.702 1.00 0.00 O ATOM 814 CB LEU A 53 70.785 1.517 13.838 1.00 0.00 C ATOM 815 CG LEU A 53 71.905 1.984 12.896 1.00 0.00 C ATOM 816 CD1 LEU A 53 73.018 0.931 12.854 1.00 0.00 C ATOM 817 CD2 LEU A 53 71.346 2.205 11.480 1.00 0.00 C ATOM 0 H LEU A 53 68.447 0.868 14.105 1.00 0.00 H new ATOM 0 HA LEU A 53 70.456 -0.030 12.368 1.00 0.00 H new ATOM 0 HB2 LEU A 53 69.958 2.226 13.809 1.00 0.00 H new ATOM 0 HB3 LEU A 53 71.151 1.496 14.865 1.00 0.00 H new ATOM 0 HG LEU A 53 72.312 2.925 13.268 1.00 0.00 H new ATOM 0 HD11 LEU A 53 73.811 1.266 12.185 1.00 0.00 H new ATOM 0 HD12 LEU A 53 73.424 0.791 13.856 1.00 0.00 H new ATOM 0 HD13 LEU A 53 72.612 -0.013 12.492 1.00 0.00 H new ATOM 0 HD21 LEU A 53 72.148 2.536 10.820 1.00 0.00 H new ATOM 0 HD22 LEU A 53 70.928 1.271 11.104 1.00 0.00 H new ATOM 0 HD23 LEU A 53 70.565 2.965 11.512 1.00 0.00 H new ATOM 829 N MET A 54 70.623 -1.212 15.432 1.00 0.00 N ATOM 830 CA MET A 54 71.282 -2.208 16.274 1.00 0.00 C ATOM 831 C MET A 54 71.294 -3.582 15.607 1.00 0.00 C ATOM 832 O MET A 54 72.246 -4.345 15.767 1.00 0.00 O ATOM 833 CB MET A 54 70.571 -2.312 17.625 1.00 0.00 C ATOM 834 CG MET A 54 71.428 -3.132 18.597 1.00 0.00 C ATOM 835 SD MET A 54 72.652 -2.052 19.378 1.00 0.00 S ATOM 836 CE MET A 54 73.164 -3.194 20.684 1.00 0.00 C ATOM 0 H MET A 54 69.820 -0.755 15.864 1.00 0.00 H new ATOM 0 HA MET A 54 72.312 -1.884 16.422 1.00 0.00 H new ATOM 0 HB2 MET A 54 70.394 -1.316 18.032 1.00 0.00 H new ATOM 0 HB3 MET A 54 69.596 -2.782 17.499 1.00 0.00 H new ATOM 0 HG2 MET A 54 70.796 -3.593 19.356 1.00 0.00 H new ATOM 0 HG3 MET A 54 71.928 -3.941 18.065 1.00 0.00 H new ATOM 0 HE1 MET A 54 73.931 -2.723 21.299 1.00 0.00 H new ATOM 0 HE2 MET A 54 72.304 -3.446 21.305 1.00 0.00 H new ATOM 0 HE3 MET A 54 73.566 -4.103 20.236 1.00 0.00 H new ATOM 846 N LEU A 55 70.239 -3.899 14.863 1.00 0.00 N ATOM 847 CA LEU A 55 70.171 -5.195 14.193 1.00 0.00 C ATOM 848 C LEU A 55 71.099 -5.204 12.988 1.00 0.00 C ATOM 849 O LEU A 55 71.525 -6.260 12.524 1.00 0.00 O ATOM 850 CB LEU A 55 68.747 -5.526 13.737 1.00 0.00 C ATOM 851 CG LEU A 55 67.696 -4.972 14.712 1.00 0.00 C ATOM 852 CD1 LEU A 55 66.360 -4.839 13.973 1.00 0.00 C ATOM 853 CD2 LEU A 55 67.534 -5.922 15.913 1.00 0.00 C ATOM 0 H LEU A 55 69.434 -3.291 14.710 1.00 0.00 H new ATOM 0 HA LEU A 55 70.482 -5.953 14.912 1.00 0.00 H new ATOM 0 HB2 LEU A 55 68.577 -5.111 12.744 1.00 0.00 H new ATOM 0 HB3 LEU A 55 68.633 -6.607 13.654 1.00 0.00 H new ATOM 0 HG LEU A 55 68.017 -3.998 15.080 1.00 0.00 H new ATOM 0 HD11 LEU A 55 65.605 -4.447 14.654 1.00 0.00 H new ATOM 0 HD12 LEU A 55 66.477 -4.158 13.130 1.00 0.00 H new ATOM 0 HD13 LEU A 55 66.047 -5.817 13.609 1.00 0.00 H new ATOM 0 HD21 LEU A 55 66.787 -5.519 16.597 1.00 0.00 H new ATOM 0 HD22 LEU A 55 67.213 -6.902 15.561 1.00 0.00 H new ATOM 0 HD23 LEU A 55 68.487 -6.018 16.432 1.00 0.00 H new ATOM 865 N ASP A 56 71.421 -4.015 12.499 1.00 0.00 N ATOM 866 CA ASP A 56 72.317 -3.885 11.364 1.00 0.00 C ATOM 867 C ASP A 56 73.570 -4.680 11.658 1.00 0.00 C ATOM 868 O ASP A 56 74.196 -5.243 10.760 1.00 0.00 O ATOM 869 CB ASP A 56 72.671 -2.415 11.130 1.00 0.00 C ATOM 870 CG ASP A 56 73.272 -2.237 9.740 1.00 0.00 C ATOM 871 OD1 ASP A 56 73.408 -1.101 9.316 1.00 0.00 O ATOM 872 OD2 ASP A 56 73.590 -3.239 9.121 1.00 0.00 O ATOM 0 H ASP A 56 71.075 -3.130 12.871 1.00 0.00 H new ATOM 0 HA ASP A 56 71.833 -4.263 10.464 1.00 0.00 H new ATOM 0 HB2 ASP A 56 71.779 -1.797 11.231 1.00 0.00 H new ATOM 0 HB3 ASP A 56 73.379 -2.078 11.887 1.00 0.00 H new ATOM 877 N SER A 57 73.907 -4.751 12.942 1.00 0.00 N ATOM 878 CA SER A 57 75.060 -5.514 13.362 1.00 0.00 C ATOM 879 C SER A 57 74.875 -6.939 12.880 1.00 0.00 C ATOM 880 O SER A 57 75.811 -7.737 12.875 1.00 0.00 O ATOM 881 CB SER A 57 75.192 -5.488 14.885 1.00 0.00 C ATOM 882 OG SER A 57 75.454 -4.158 15.311 1.00 0.00 O ATOM 0 H SER A 57 73.399 -4.292 13.698 1.00 0.00 H new ATOM 0 HA SER A 57 75.968 -5.084 12.940 1.00 0.00 H new ATOM 0 HB2 SER A 57 74.276 -5.856 15.347 1.00 0.00 H new ATOM 0 HB3 SER A 57 75.998 -6.149 15.203 1.00 0.00 H new ATOM 0 HG SER A 57 75.537 -4.138 16.287 1.00 0.00 H new ATOM 888 N ALA A 58 73.646 -7.239 12.451 1.00 0.00 N ATOM 889 CA ALA A 58 73.334 -8.574 11.936 1.00 0.00 C ATOM 890 C ALA A 58 74.477 -9.046 11.043 1.00 0.00 C ATOM 891 O ALA A 58 75.473 -9.587 11.522 1.00 0.00 O ATOM 892 CB ALA A 58 72.032 -8.531 11.133 1.00 0.00 C ATOM 0 H ALA A 58 72.862 -6.587 12.450 1.00 0.00 H new ATOM 0 HA ALA A 58 73.211 -9.266 12.769 1.00 0.00 H new ATOM 0 HB1 ALA A 58 71.806 -9.527 10.753 1.00 0.00 H new ATOM 0 HB2 ALA A 58 71.219 -8.195 11.776 1.00 0.00 H new ATOM 0 HB3 ALA A 58 72.143 -7.840 10.297 1.00 0.00 H new ATOM 898 N LYS A 59 74.336 -8.803 9.747 1.00 0.00 N ATOM 899 CA LYS A 59 75.371 -9.163 8.788 1.00 0.00 C ATOM 900 C LYS A 59 75.714 -10.646 8.861 1.00 0.00 C ATOM 901 O LYS A 59 76.777 -11.026 9.351 1.00 0.00 O ATOM 902 CB LYS A 59 76.622 -8.326 9.064 1.00 0.00 C ATOM 903 CG LYS A 59 76.501 -6.947 8.390 1.00 0.00 C ATOM 904 CD LYS A 59 77.298 -6.931 7.079 1.00 0.00 C ATOM 905 CE LYS A 59 78.773 -6.648 7.376 1.00 0.00 C ATOM 906 NZ LYS A 59 79.597 -6.994 6.183 1.00 0.00 N ATOM 0 H LYS A 59 73.515 -8.358 9.336 1.00 0.00 H new ATOM 0 HA LYS A 59 74.996 -8.961 7.785 1.00 0.00 H new ATOM 0 HB2 LYS A 59 76.756 -8.203 10.139 1.00 0.00 H new ATOM 0 HB3 LYS A 59 77.505 -8.845 8.690 1.00 0.00 H new ATOM 0 HG2 LYS A 59 75.453 -6.721 8.191 1.00 0.00 H new ATOM 0 HG3 LYS A 59 76.872 -6.172 9.060 1.00 0.00 H new ATOM 0 HD2 LYS A 59 77.197 -7.889 6.569 1.00 0.00 H new ATOM 0 HD3 LYS A 59 76.899 -6.169 6.409 1.00 0.00 H new ATOM 0 HE2 LYS A 59 78.908 -5.597 7.632 1.00 0.00 H new ATOM 0 HE3 LYS A 59 79.099 -7.230 8.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 80.599 -6.802 6.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 79.477 -8.002 5.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 79.291 -6.420 5.372 1.00 0.00 H new ATOM 920 N GLY A 60 74.804 -11.475 8.371 1.00 0.00 N ATOM 921 CA GLY A 60 75.011 -12.919 8.385 1.00 0.00 C ATOM 922 C GLY A 60 74.469 -13.481 9.680 1.00 0.00 C ATOM 923 O GLY A 60 75.015 -14.424 10.254 1.00 0.00 O ATOM 0 H GLY A 60 73.919 -11.177 7.960 1.00 0.00 H new ATOM 0 HA2 GLY A 60 74.508 -13.380 7.535 1.00 0.00 H new ATOM 0 HA3 GLY A 60 76.072 -13.148 8.290 1.00 0.00 H new ATOM 927 N ARG A 61 73.399 -12.857 10.142 1.00 0.00 N ATOM 928 CA ARG A 61 72.764 -13.236 11.386 1.00 0.00 C ATOM 929 C ARG A 61 71.283 -13.498 11.163 1.00 0.00 C ATOM 930 O ARG A 61 70.758 -13.270 10.073 1.00 0.00 O ATOM 931 CB ARG A 61 72.936 -12.077 12.367 1.00 0.00 C ATOM 932 CG ARG A 61 72.365 -12.417 13.743 1.00 0.00 C ATOM 933 CD ARG A 61 73.019 -13.687 14.304 1.00 0.00 C ATOM 934 NE ARG A 61 72.436 -14.890 13.723 1.00 0.00 N ATOM 935 CZ ARG A 61 73.066 -16.058 13.794 1.00 0.00 C ATOM 936 NH1 ARG A 61 72.527 -17.124 13.269 1.00 0.00 N ATOM 937 NH2 ARG A 61 74.224 -16.138 14.391 1.00 0.00 N ATOM 0 H ARG A 61 72.949 -12.076 9.665 1.00 0.00 H new ATOM 0 HA ARG A 61 73.218 -14.147 11.777 1.00 0.00 H new ATOM 0 HB2 ARG A 61 73.994 -11.833 12.461 1.00 0.00 H new ATOM 0 HB3 ARG A 61 72.438 -11.190 11.975 1.00 0.00 H new ATOM 0 HG2 ARG A 61 72.531 -11.584 14.427 1.00 0.00 H new ATOM 0 HG3 ARG A 61 71.287 -12.559 13.670 1.00 0.00 H new ATOM 0 HD2 ARG A 61 74.090 -13.666 14.101 1.00 0.00 H new ATOM 0 HD3 ARG A 61 72.900 -13.711 15.387 1.00 0.00 H new ATOM 0 HE ARG A 61 71.531 -14.835 13.255 1.00 0.00 H new ATOM 0 HH11 ARG A 61 71.622 -17.061 12.804 1.00 0.00 H new ATOM 0 HH12 ARG A 61 73.011 -18.020 13.324 1.00 0.00 H new ATOM 0 HH21 ARG A 61 74.644 -15.305 14.802 1.00 0.00 H new ATOM 0 HH22 ARG A 61 74.709 -17.034 14.446 1.00 0.00 H new ATOM 951 N GLN A 62 70.609 -13.945 12.212 1.00 0.00 N ATOM 952 CA GLN A 62 69.186 -14.200 12.147 1.00 0.00 C ATOM 953 C GLN A 62 68.494 -13.313 13.162 1.00 0.00 C ATOM 954 O GLN A 62 68.983 -13.127 14.276 1.00 0.00 O ATOM 955 CB GLN A 62 68.886 -15.671 12.442 1.00 0.00 C ATOM 956 CG GLN A 62 69.128 -15.953 13.923 1.00 0.00 C ATOM 957 CD GLN A 62 69.330 -17.448 14.149 1.00 0.00 C ATOM 958 OE1 GLN A 62 70.082 -18.127 13.327 1.00 0.00 O flip ATOM 959 NE2 GLN A 62 68.787 -18.011 15.099 1.00 0.00 N flip ATOM 0 H GLN A 62 71.031 -14.138 13.120 1.00 0.00 H new ATOM 0 HA GLN A 62 68.821 -13.979 11.144 1.00 0.00 H new ATOM 0 HB2 GLN A 62 67.853 -15.902 12.181 1.00 0.00 H new ATOM 0 HB3 GLN A 62 69.521 -16.312 11.830 1.00 0.00 H new ATOM 0 HG2 GLN A 62 70.005 -15.404 14.267 1.00 0.00 H new ATOM 0 HG3 GLN A 62 68.281 -15.600 14.511 1.00 0.00 H new ATOM 0 HE21 GLN A 62 68.200 -17.478 15.740 1.00 0.00 H new ATOM 0 HE22 GLN A 62 68.924 -19.011 15.245 1.00 0.00 H new ATOM 968 N ILE A 63 67.367 -12.757 12.771 1.00 0.00 N ATOM 969 CA ILE A 63 66.624 -11.880 13.640 1.00 0.00 C ATOM 970 C ILE A 63 65.439 -12.609 14.205 1.00 0.00 C ATOM 971 O ILE A 63 64.865 -13.481 13.562 1.00 0.00 O ATOM 972 CB ILE A 63 66.147 -10.683 12.843 1.00 0.00 C ATOM 973 CG1 ILE A 63 65.520 -9.653 13.781 1.00 0.00 C ATOM 974 CG2 ILE A 63 65.110 -11.149 11.826 1.00 0.00 C ATOM 975 CD1 ILE A 63 66.598 -8.688 14.265 1.00 0.00 C ATOM 0 H ILE A 63 66.947 -12.900 11.853 1.00 0.00 H new ATOM 0 HA ILE A 63 67.264 -11.549 14.458 1.00 0.00 H new ATOM 0 HB ILE A 63 66.991 -10.224 12.328 1.00 0.00 H new ATOM 0 HG12 ILE A 63 64.732 -9.106 13.264 1.00 0.00 H new ATOM 0 HG13 ILE A 63 65.056 -10.153 14.631 1.00 0.00 H new ATOM 0 HG21 ILE A 63 64.759 -10.295 11.246 1.00 0.00 H new ATOM 0 HG22 ILE A 63 65.561 -11.882 11.156 1.00 0.00 H new ATOM 0 HG23 ILE A 63 64.268 -11.604 12.347 1.00 0.00 H new ATOM 0 HD11 ILE A 63 66.153 -7.952 14.935 1.00 0.00 H new ATOM 0 HD12 ILE A 63 67.371 -9.243 14.797 1.00 0.00 H new ATOM 0 HD13 ILE A 63 67.041 -8.179 13.409 1.00 0.00 H new ATOM 987 N GLU A 64 65.079 -12.225 15.404 1.00 0.00 N ATOM 988 CA GLU A 64 63.950 -12.817 16.086 1.00 0.00 C ATOM 989 C GLU A 64 62.843 -11.784 16.160 1.00 0.00 C ATOM 990 O GLU A 64 62.904 -10.845 16.952 1.00 0.00 O ATOM 991 CB GLU A 64 64.393 -13.276 17.483 1.00 0.00 C ATOM 992 CG GLU A 64 64.049 -14.750 17.694 1.00 0.00 C ATOM 993 CD GLU A 64 62.538 -14.931 17.787 1.00 0.00 C ATOM 994 OE1 GLU A 64 61.856 -14.544 16.852 1.00 0.00 O ATOM 995 OE2 GLU A 64 62.084 -15.455 18.791 1.00 0.00 O ATOM 0 H GLU A 64 65.556 -11.497 15.935 1.00 0.00 H new ATOM 0 HA GLU A 64 63.576 -13.689 15.550 1.00 0.00 H new ATOM 0 HB2 GLU A 64 65.467 -13.127 17.598 1.00 0.00 H new ATOM 0 HB3 GLU A 64 63.903 -12.669 18.244 1.00 0.00 H new ATOM 0 HG2 GLU A 64 64.444 -15.344 16.870 1.00 0.00 H new ATOM 0 HG3 GLU A 64 64.523 -15.115 18.605 1.00 0.00 H new ATOM 1002 N VAL A 65 61.846 -11.938 15.298 1.00 0.00 N ATOM 1003 CA VAL A 65 60.758 -10.990 15.260 1.00 0.00 C ATOM 1004 C VAL A 65 59.645 -11.416 16.188 1.00 0.00 C ATOM 1005 O VAL A 65 59.316 -12.594 16.249 1.00 0.00 O ATOM 1006 CB VAL A 65 60.210 -10.919 13.838 1.00 0.00 C ATOM 1007 CG1 VAL A 65 59.444 -12.204 13.514 1.00 0.00 C ATOM 1008 CG2 VAL A 65 59.275 -9.720 13.728 1.00 0.00 C ATOM 0 H VAL A 65 61.775 -12.703 14.627 1.00 0.00 H new ATOM 0 HA VAL A 65 61.132 -10.017 15.578 1.00 0.00 H new ATOM 0 HB VAL A 65 61.033 -10.810 13.131 1.00 0.00 H new ATOM 0 HG11 VAL A 65 59.054 -12.149 12.498 1.00 0.00 H new ATOM 0 HG12 VAL A 65 60.115 -13.059 13.600 1.00 0.00 H new ATOM 0 HG13 VAL A 65 58.617 -12.321 14.214 1.00 0.00 H new ATOM 0 HG21 VAL A 65 58.878 -9.660 12.715 1.00 0.00 H new ATOM 0 HG22 VAL A 65 58.453 -9.834 14.434 1.00 0.00 H new ATOM 0 HG23 VAL A 65 59.825 -8.807 13.956 1.00 0.00 H new ATOM 1018 N GLU A 66 59.043 -10.461 16.884 1.00 0.00 N ATOM 1019 CA GLU A 66 57.926 -10.796 17.753 1.00 0.00 C ATOM 1020 C GLU A 66 56.895 -9.669 17.789 1.00 0.00 C ATOM 1021 O GLU A 66 57.184 -8.594 18.305 1.00 0.00 O ATOM 1022 CB GLU A 66 58.393 -11.081 19.178 1.00 0.00 C ATOM 1023 CG GLU A 66 57.162 -11.244 20.080 1.00 0.00 C ATOM 1024 CD GLU A 66 57.540 -11.992 21.354 1.00 0.00 C ATOM 1025 OE1 GLU A 66 58.246 -12.982 21.248 1.00 0.00 O ATOM 1026 OE2 GLU A 66 57.118 -11.565 22.416 1.00 0.00 O ATOM 0 H GLU A 66 59.301 -9.474 16.866 1.00 0.00 H new ATOM 0 HA GLU A 66 57.467 -11.694 17.340 1.00 0.00 H new ATOM 0 HB2 GLU A 66 59.001 -11.986 19.202 1.00 0.00 H new ATOM 0 HB3 GLU A 66 59.020 -10.266 19.539 1.00 0.00 H new ATOM 0 HG2 GLU A 66 56.754 -10.265 20.332 1.00 0.00 H new ATOM 0 HG3 GLU A 66 56.381 -11.788 19.548 1.00 0.00 H new ATOM 1033 N ALA A 67 55.688 -9.925 17.268 1.00 0.00 N ATOM 1034 CA ALA A 67 54.622 -8.926 17.269 1.00 0.00 C ATOM 1035 C ALA A 67 53.485 -9.372 18.177 1.00 0.00 C ATOM 1036 O ALA A 67 53.247 -10.568 18.335 1.00 0.00 O ATOM 1037 CB ALA A 67 54.127 -8.721 15.841 1.00 0.00 C ATOM 0 H ALA A 67 55.430 -10.815 16.842 1.00 0.00 H new ATOM 0 HA ALA A 67 55.006 -7.980 17.651 1.00 0.00 H new ATOM 0 HB1 ALA A 67 53.331 -7.976 15.835 1.00 0.00 H new ATOM 0 HB2 ALA A 67 54.951 -8.376 15.216 1.00 0.00 H new ATOM 0 HB3 ALA A 67 53.745 -9.664 15.450 1.00 0.00 H new ATOM 1043 N THR A 68 52.798 -8.412 18.802 1.00 0.00 N ATOM 1044 CA THR A 68 51.717 -8.758 19.707 1.00 0.00 C ATOM 1045 C THR A 68 50.633 -7.678 19.749 1.00 0.00 C ATOM 1046 O THR A 68 50.792 -6.647 20.402 1.00 0.00 O ATOM 1047 CB THR A 68 52.285 -8.934 21.113 1.00 0.00 C ATOM 1048 OG1 THR A 68 53.332 -9.892 21.087 1.00 0.00 O ATOM 1049 CG2 THR A 68 51.179 -9.400 22.052 1.00 0.00 C ATOM 0 H THR A 68 52.971 -7.412 18.697 1.00 0.00 H new ATOM 0 HA THR A 68 51.262 -9.680 19.345 1.00 0.00 H new ATOM 0 HB THR A 68 52.681 -7.983 21.468 1.00 0.00 H new ATOM 0 HG1 THR A 68 53.599 -10.109 22.004 1.00 0.00 H new ATOM 0 HG21 THR A 68 51.583 -9.526 23.056 1.00 0.00 H new ATOM 0 HG22 THR A 68 50.382 -8.657 22.072 1.00 0.00 H new ATOM 0 HG23 THR A 68 50.779 -10.351 21.700 1.00 0.00 H new ATOM 1057 N GLY A 69 49.524 -7.940 19.068 1.00 0.00 N ATOM 1058 CA GLY A 69 48.396 -7.011 19.045 1.00 0.00 C ATOM 1059 C GLY A 69 47.398 -7.392 17.954 1.00 0.00 C ATOM 1060 O GLY A 69 47.596 -8.356 17.224 1.00 0.00 O ATOM 0 H GLY A 69 49.380 -8.790 18.522 1.00 0.00 H new ATOM 0 HA2 GLY A 69 47.899 -7.013 20.015 1.00 0.00 H new ATOM 0 HA3 GLY A 69 48.758 -5.997 18.874 1.00 0.00 H new ATOM 1064 N PRO A 70 46.332 -6.663 17.832 1.00 0.00 N ATOM 1065 CA PRO A 70 45.288 -6.933 16.807 1.00 0.00 C ATOM 1066 C PRO A 70 45.851 -7.374 15.458 1.00 0.00 C ATOM 1067 O PRO A 70 45.418 -8.381 14.898 1.00 0.00 O ATOM 1068 CB PRO A 70 44.592 -5.586 16.688 1.00 0.00 C ATOM 1069 CG PRO A 70 44.648 -5.025 18.069 1.00 0.00 C ATOM 1070 CD PRO A 70 45.983 -5.494 18.661 1.00 0.00 C ATOM 0 HA PRO A 70 44.638 -7.759 17.096 1.00 0.00 H new ATOM 0 HB2 PRO A 70 45.098 -4.937 15.973 1.00 0.00 H new ATOM 0 HB3 PRO A 70 43.564 -5.698 16.344 1.00 0.00 H new ATOM 0 HG2 PRO A 70 44.590 -3.937 18.051 1.00 0.00 H new ATOM 0 HG3 PRO A 70 43.809 -5.379 18.668 1.00 0.00 H new ATOM 0 HD2 PRO A 70 46.745 -4.717 18.601 1.00 0.00 H new ATOM 0 HD3 PRO A 70 45.884 -5.762 19.713 1.00 0.00 H new ATOM 1078 N GLN A 71 46.789 -6.598 14.925 1.00 0.00 N ATOM 1079 CA GLN A 71 47.368 -6.913 13.608 1.00 0.00 C ATOM 1080 C GLN A 71 48.886 -7.143 13.664 1.00 0.00 C ATOM 1081 O GLN A 71 49.625 -6.677 12.799 1.00 0.00 O ATOM 1082 CB GLN A 71 47.053 -5.773 12.633 1.00 0.00 C ATOM 1083 CG GLN A 71 45.606 -5.898 12.145 1.00 0.00 C ATOM 1084 CD GLN A 71 45.111 -4.551 11.625 1.00 0.00 C ATOM 1085 OE1 GLN A 71 44.614 -4.462 10.503 1.00 0.00 O ATOM 1086 NE2 GLN A 71 45.219 -3.493 12.381 1.00 0.00 N ATOM 0 H GLN A 71 47.164 -5.760 15.369 1.00 0.00 H new ATOM 0 HA GLN A 71 46.918 -7.846 13.268 1.00 0.00 H new ATOM 0 HB2 GLN A 71 47.200 -4.811 13.123 1.00 0.00 H new ATOM 0 HB3 GLN A 71 47.737 -5.807 11.785 1.00 0.00 H new ATOM 0 HG2 GLN A 71 45.543 -6.647 11.355 1.00 0.00 H new ATOM 0 HG3 GLN A 71 44.967 -6.239 12.960 1.00 0.00 H new ATOM 0 HE21 GLN A 71 45.632 -3.570 13.311 1.00 0.00 H new ATOM 0 HE22 GLN A 71 44.891 -2.589 12.042 1.00 0.00 H new ATOM 1095 N GLU A 72 49.339 -7.879 14.670 1.00 0.00 N ATOM 1096 CA GLU A 72 50.762 -8.183 14.821 1.00 0.00 C ATOM 1097 C GLU A 72 51.282 -8.998 13.657 1.00 0.00 C ATOM 1098 O GLU A 72 52.407 -8.800 13.204 1.00 0.00 O ATOM 1099 CB GLU A 72 50.975 -8.962 16.127 1.00 0.00 C ATOM 1100 CG GLU A 72 49.706 -9.731 16.472 1.00 0.00 C ATOM 1101 CD GLU A 72 50.017 -10.862 17.442 1.00 0.00 C ATOM 1102 OE1 GLU A 72 51.180 -11.195 17.575 1.00 0.00 O ATOM 1103 OE2 GLU A 72 49.087 -11.376 18.040 1.00 0.00 O ATOM 0 H GLU A 72 48.744 -8.278 15.396 1.00 0.00 H new ATOM 0 HA GLU A 72 51.312 -7.242 14.846 1.00 0.00 H new ATOM 0 HB2 GLU A 72 51.813 -9.651 16.020 1.00 0.00 H new ATOM 0 HB3 GLU A 72 51.228 -8.276 16.935 1.00 0.00 H new ATOM 0 HG2 GLU A 72 48.973 -9.056 16.914 1.00 0.00 H new ATOM 0 HG3 GLU A 72 49.260 -10.135 15.563 1.00 0.00 H new ATOM 1110 N GLU A 73 50.472 -9.911 13.181 1.00 0.00 N ATOM 1111 CA GLU A 73 50.886 -10.747 12.075 1.00 0.00 C ATOM 1112 C GLU A 73 51.214 -9.887 10.865 1.00 0.00 C ATOM 1113 O GLU A 73 52.347 -9.865 10.405 1.00 0.00 O ATOM 1114 CB GLU A 73 49.775 -11.741 11.723 1.00 0.00 C ATOM 1115 CG GLU A 73 49.667 -12.811 12.823 1.00 0.00 C ATOM 1116 CD GLU A 73 49.908 -14.200 12.235 1.00 0.00 C ATOM 1117 OE1 GLU A 73 49.165 -15.104 12.579 1.00 0.00 O ATOM 1118 OE2 GLU A 73 50.833 -14.338 11.451 1.00 0.00 O ATOM 0 H GLU A 73 49.533 -10.095 13.535 1.00 0.00 H new ATOM 0 HA GLU A 73 51.778 -11.301 12.368 1.00 0.00 H new ATOM 0 HB2 GLU A 73 48.825 -11.217 11.618 1.00 0.00 H new ATOM 0 HB3 GLU A 73 49.987 -12.213 10.763 1.00 0.00 H new ATOM 0 HG2 GLU A 73 50.395 -12.610 13.609 1.00 0.00 H new ATOM 0 HG3 GLU A 73 48.680 -12.770 13.285 1.00 0.00 H new ATOM 1125 N GLU A 74 50.222 -9.163 10.368 1.00 0.00 N ATOM 1126 CA GLU A 74 50.426 -8.301 9.209 1.00 0.00 C ATOM 1127 C GLU A 74 51.690 -7.467 9.377 1.00 0.00 C ATOM 1128 O GLU A 74 52.447 -7.255 8.433 1.00 0.00 O ATOM 1129 CB GLU A 74 49.224 -7.366 9.052 1.00 0.00 C ATOM 1130 CG GLU A 74 47.951 -8.083 9.499 1.00 0.00 C ATOM 1131 CD GLU A 74 46.723 -7.360 8.954 1.00 0.00 C ATOM 1132 OE1 GLU A 74 46.564 -6.191 9.262 1.00 0.00 O ATOM 1133 OE2 GLU A 74 45.961 -7.987 8.237 1.00 0.00 O ATOM 0 H GLU A 74 49.274 -9.153 10.744 1.00 0.00 H new ATOM 0 HA GLU A 74 50.531 -8.927 8.323 1.00 0.00 H new ATOM 0 HB2 GLU A 74 49.373 -6.464 9.646 1.00 0.00 H new ATOM 0 HB3 GLU A 74 49.130 -7.051 8.013 1.00 0.00 H new ATOM 0 HG2 GLU A 74 47.962 -9.114 9.146 1.00 0.00 H new ATOM 0 HG3 GLU A 74 47.908 -8.119 10.588 1.00 0.00 H new ATOM 1140 N ALA A 75 51.881 -6.985 10.590 1.00 0.00 N ATOM 1141 CA ALA A 75 53.028 -6.145 10.923 1.00 0.00 C ATOM 1142 C ALA A 75 54.337 -6.911 10.848 1.00 0.00 C ATOM 1143 O ALA A 75 55.230 -6.547 10.090 1.00 0.00 O ATOM 1144 CB ALA A 75 52.826 -5.585 12.342 1.00 0.00 C ATOM 0 H ALA A 75 51.252 -7.160 11.373 1.00 0.00 H new ATOM 0 HA ALA A 75 53.090 -5.336 10.195 1.00 0.00 H new ATOM 0 HB1 ALA A 75 53.674 -4.954 12.608 1.00 0.00 H new ATOM 0 HB2 ALA A 75 51.911 -4.994 12.373 1.00 0.00 H new ATOM 0 HB3 ALA A 75 52.750 -6.409 13.051 1.00 0.00 H new ATOM 1150 N LEU A 76 54.434 -7.965 11.628 1.00 0.00 N ATOM 1151 CA LEU A 76 55.624 -8.796 11.665 1.00 0.00 C ATOM 1152 C LEU A 76 55.698 -9.635 10.399 1.00 0.00 C ATOM 1153 O LEU A 76 56.777 -9.985 9.926 1.00 0.00 O ATOM 1154 CB LEU A 76 55.503 -9.654 12.925 1.00 0.00 C ATOM 1155 CG LEU A 76 56.017 -11.083 12.740 1.00 0.00 C ATOM 1156 CD1 LEU A 76 56.096 -11.720 14.130 1.00 0.00 C ATOM 1157 CD2 LEU A 76 55.049 -11.902 11.864 1.00 0.00 C ATOM 0 H LEU A 76 53.691 -8.273 12.256 1.00 0.00 H new ATOM 0 HA LEU A 76 56.543 -8.211 11.702 1.00 0.00 H new ATOM 0 HB2 LEU A 76 56.058 -9.178 13.734 1.00 0.00 H new ATOM 0 HB3 LEU A 76 54.458 -9.689 13.233 1.00 0.00 H new ATOM 0 HG LEU A 76 56.990 -11.069 12.249 1.00 0.00 H new ATOM 0 HD11 LEU A 76 56.460 -12.744 14.041 1.00 0.00 H new ATOM 0 HD12 LEU A 76 56.779 -11.145 14.755 1.00 0.00 H new ATOM 0 HD13 LEU A 76 55.105 -11.725 14.585 1.00 0.00 H new ATOM 0 HD21 LEU A 76 55.434 -12.915 11.745 1.00 0.00 H new ATOM 0 HD22 LEU A 76 54.070 -11.940 12.341 1.00 0.00 H new ATOM 0 HD23 LEU A 76 54.958 -11.432 10.885 1.00 0.00 H new ATOM 1169 N ALA A 77 54.531 -9.933 9.854 1.00 0.00 N ATOM 1170 CA ALA A 77 54.434 -10.715 8.629 1.00 0.00 C ATOM 1171 C ALA A 77 54.778 -9.849 7.422 1.00 0.00 C ATOM 1172 O ALA A 77 55.182 -10.358 6.376 1.00 0.00 O ATOM 1173 CB ALA A 77 53.008 -11.246 8.471 1.00 0.00 C ATOM 0 H ALA A 77 53.632 -9.645 10.241 1.00 0.00 H new ATOM 0 HA ALA A 77 55.136 -11.547 8.688 1.00 0.00 H new ATOM 0 HB1 ALA A 77 52.937 -11.831 7.554 1.00 0.00 H new ATOM 0 HB2 ALA A 77 52.758 -11.877 9.324 1.00 0.00 H new ATOM 0 HB3 ALA A 77 52.311 -10.409 8.422 1.00 0.00 H new ATOM 1179 N ALA A 78 54.622 -8.536 7.575 1.00 0.00 N ATOM 1180 CA ALA A 78 54.925 -7.614 6.488 1.00 0.00 C ATOM 1181 C ALA A 78 56.433 -7.422 6.396 1.00 0.00 C ATOM 1182 O ALA A 78 57.010 -7.389 5.305 1.00 0.00 O ATOM 1183 CB ALA A 78 54.224 -6.269 6.720 1.00 0.00 C ATOM 0 H ALA A 78 54.291 -8.092 8.432 1.00 0.00 H new ATOM 0 HA ALA A 78 54.560 -8.029 5.549 1.00 0.00 H new ATOM 0 HB1 ALA A 78 54.459 -5.590 5.900 1.00 0.00 H new ATOM 0 HB2 ALA A 78 53.146 -6.424 6.765 1.00 0.00 H new ATOM 0 HB3 ALA A 78 54.568 -5.837 7.659 1.00 0.00 H new ATOM 1189 N VAL A 79 57.071 -7.335 7.555 1.00 0.00 N ATOM 1190 CA VAL A 79 58.512 -7.187 7.603 1.00 0.00 C ATOM 1191 C VAL A 79 59.144 -8.446 7.049 1.00 0.00 C ATOM 1192 O VAL A 79 60.070 -8.400 6.250 1.00 0.00 O ATOM 1193 CB VAL A 79 58.974 -6.987 9.054 1.00 0.00 C ATOM 1194 CG1 VAL A 79 57.783 -6.620 9.926 1.00 0.00 C ATOM 1195 CG2 VAL A 79 59.591 -8.281 9.580 1.00 0.00 C ATOM 0 H VAL A 79 56.614 -7.364 8.466 1.00 0.00 H new ATOM 0 HA VAL A 79 58.810 -6.320 7.014 1.00 0.00 H new ATOM 0 HB VAL A 79 59.713 -6.186 9.083 1.00 0.00 H new ATOM 0 HG11 VAL A 79 58.115 -6.479 10.955 1.00 0.00 H new ATOM 0 HG12 VAL A 79 57.335 -5.697 9.560 1.00 0.00 H new ATOM 0 HG13 VAL A 79 57.045 -7.421 9.890 1.00 0.00 H new ATOM 0 HG21 VAL A 79 59.918 -8.136 10.610 1.00 0.00 H new ATOM 0 HG22 VAL A 79 58.849 -9.079 9.544 1.00 0.00 H new ATOM 0 HG23 VAL A 79 60.447 -8.553 8.963 1.00 0.00 H new ATOM 1205 N ILE A 80 58.626 -9.573 7.511 1.00 0.00 N ATOM 1206 CA ILE A 80 59.118 -10.863 7.102 1.00 0.00 C ATOM 1207 C ILE A 80 59.229 -10.912 5.614 1.00 0.00 C ATOM 1208 O ILE A 80 60.313 -11.088 5.075 1.00 0.00 O ATOM 1209 CB ILE A 80 58.173 -11.922 7.635 1.00 0.00 C ATOM 1210 CG1 ILE A 80 58.478 -12.068 9.129 1.00 0.00 C ATOM 1211 CG2 ILE A 80 58.366 -13.249 6.887 1.00 0.00 C ATOM 1212 CD1 ILE A 80 59.292 -13.329 9.389 1.00 0.00 C ATOM 0 H ILE A 80 57.855 -9.611 8.178 1.00 0.00 H new ATOM 0 HA ILE A 80 60.114 -11.047 7.506 1.00 0.00 H new ATOM 0 HB ILE A 80 57.132 -11.635 7.485 1.00 0.00 H new ATOM 0 HG12 ILE A 80 59.028 -11.195 9.481 1.00 0.00 H new ATOM 0 HG13 ILE A 80 57.547 -12.107 9.694 1.00 0.00 H new ATOM 0 HG21 ILE A 80 57.678 -13.995 7.286 1.00 0.00 H new ATOM 0 HG22 ILE A 80 58.166 -13.101 5.826 1.00 0.00 H new ATOM 0 HG23 ILE A 80 59.391 -13.595 7.018 1.00 0.00 H new ATOM 0 HD11 ILE A 80 59.499 -13.415 10.456 1.00 0.00 H new ATOM 0 HD12 ILE A 80 58.728 -14.201 9.057 1.00 0.00 H new ATOM 0 HD13 ILE A 80 60.232 -13.275 8.841 1.00 0.00 H new ATOM 1224 N ALA A 81 58.126 -10.702 4.941 1.00 0.00 N ATOM 1225 CA ALA A 81 58.189 -10.682 3.503 1.00 0.00 C ATOM 1226 C ALA A 81 59.356 -9.808 3.113 1.00 0.00 C ATOM 1227 O ALA A 81 59.937 -9.963 2.041 1.00 0.00 O ATOM 1228 CB ALA A 81 56.918 -10.114 2.908 1.00 0.00 C ATOM 0 H ALA A 81 57.204 -10.547 5.348 1.00 0.00 H new ATOM 0 HA ALA A 81 58.308 -11.698 3.127 1.00 0.00 H new ATOM 0 HB1 ALA A 81 56.995 -10.111 1.821 1.00 0.00 H new ATOM 0 HB2 ALA A 81 56.069 -10.727 3.210 1.00 0.00 H new ATOM 0 HB3 ALA A 81 56.774 -9.094 3.264 1.00 0.00 H new ATOM 1234 N LEU A 82 59.726 -8.903 4.025 1.00 0.00 N ATOM 1235 CA LEU A 82 60.861 -8.043 3.776 1.00 0.00 C ATOM 1236 C LEU A 82 62.105 -8.695 4.346 1.00 0.00 C ATOM 1237 O LEU A 82 63.166 -8.682 3.727 1.00 0.00 O ATOM 1238 CB LEU A 82 60.648 -6.661 4.391 1.00 0.00 C ATOM 1239 CG LEU A 82 61.294 -5.608 3.489 1.00 0.00 C ATOM 1240 CD1 LEU A 82 62.775 -5.956 3.284 1.00 0.00 C ATOM 1241 CD2 LEU A 82 60.574 -5.573 2.129 1.00 0.00 C ATOM 0 H LEU A 82 59.260 -8.757 4.921 1.00 0.00 H new ATOM 0 HA LEU A 82 60.978 -7.907 2.701 1.00 0.00 H new ATOM 0 HB2 LEU A 82 59.583 -6.459 4.502 1.00 0.00 H new ATOM 0 HB3 LEU A 82 61.086 -6.622 5.388 1.00 0.00 H new ATOM 0 HG LEU A 82 61.212 -4.628 3.959 1.00 0.00 H new ATOM 0 HD11 LEU A 82 63.239 -5.208 2.641 1.00 0.00 H new ATOM 0 HD12 LEU A 82 63.282 -5.971 4.249 1.00 0.00 H new ATOM 0 HD13 LEU A 82 62.857 -6.937 2.816 1.00 0.00 H new ATOM 0 HD21 LEU A 82 61.038 -4.821 1.491 1.00 0.00 H new ATOM 0 HD22 LEU A 82 60.649 -6.550 1.652 1.00 0.00 H new ATOM 0 HD23 LEU A 82 59.524 -5.323 2.280 1.00 0.00 H new ATOM 1253 N PHE A 83 61.962 -9.288 5.525 1.00 0.00 N ATOM 1254 CA PHE A 83 63.082 -9.962 6.137 1.00 0.00 C ATOM 1255 C PHE A 83 63.407 -11.187 5.308 1.00 0.00 C ATOM 1256 O PHE A 83 64.567 -11.562 5.138 1.00 0.00 O ATOM 1257 CB PHE A 83 62.773 -10.361 7.571 1.00 0.00 C ATOM 1258 CG PHE A 83 62.827 -9.168 8.498 1.00 0.00 C ATOM 1259 CD1 PHE A 83 62.717 -7.854 8.010 1.00 0.00 C ATOM 1260 CD2 PHE A 83 62.988 -9.389 9.868 1.00 0.00 C ATOM 1261 CE1 PHE A 83 62.772 -6.778 8.899 1.00 0.00 C ATOM 1262 CE2 PHE A 83 63.041 -8.314 10.750 1.00 0.00 C ATOM 1263 CZ PHE A 83 62.934 -7.012 10.268 1.00 0.00 C ATOM 0 H PHE A 83 61.095 -9.312 6.062 1.00 0.00 H new ATOM 0 HA PHE A 83 63.937 -9.286 6.168 1.00 0.00 H new ATOM 0 HB2 PHE A 83 61.784 -10.817 7.619 1.00 0.00 H new ATOM 0 HB3 PHE A 83 63.487 -11.114 7.903 1.00 0.00 H new ATOM 0 HD1 PHE A 83 62.590 -7.677 6.952 1.00 0.00 H new ATOM 0 HD2 PHE A 83 63.072 -10.398 10.244 1.00 0.00 H new ATOM 0 HE1 PHE A 83 62.690 -5.767 8.529 1.00 0.00 H new ATOM 0 HE2 PHE A 83 63.165 -8.489 11.808 1.00 0.00 H new ATOM 0 HZ PHE A 83 62.976 -6.179 10.954 1.00 0.00 H new ATOM 1273 N ASN A 84 62.355 -11.775 4.764 1.00 0.00 N ATOM 1274 CA ASN A 84 62.484 -12.932 3.907 1.00 0.00 C ATOM 1275 C ASN A 84 62.989 -12.470 2.565 1.00 0.00 C ATOM 1276 O ASN A 84 63.528 -13.237 1.766 1.00 0.00 O ATOM 1277 CB ASN A 84 61.117 -13.598 3.750 1.00 0.00 C ATOM 1278 CG ASN A 84 61.254 -15.117 3.754 1.00 0.00 C ATOM 1279 OD1 ASN A 84 62.232 -15.656 3.236 1.00 0.00 O ATOM 1280 ND2 ASN A 84 60.325 -15.843 4.314 1.00 0.00 N ATOM 0 H ASN A 84 61.394 -11.463 4.905 1.00 0.00 H new ATOM 0 HA ASN A 84 63.180 -13.653 4.337 1.00 0.00 H new ATOM 0 HB2 ASN A 84 60.459 -13.285 4.561 1.00 0.00 H new ATOM 0 HB3 ASN A 84 60.653 -13.272 2.819 1.00 0.00 H new ATOM 0 HD21 ASN A 84 60.408 -16.860 4.323 1.00 0.00 H new ATOM 0 HD22 ASN A 84 59.516 -15.394 4.743 1.00 0.00 H new ATOM 1287 N SER A 85 62.795 -11.190 2.349 1.00 0.00 N ATOM 1288 CA SER A 85 63.217 -10.546 1.103 1.00 0.00 C ATOM 1289 C SER A 85 64.018 -9.281 1.392 1.00 0.00 C ATOM 1290 O SER A 85 63.755 -8.276 0.752 1.00 0.00 O ATOM 1291 CB SER A 85 61.994 -10.195 0.253 1.00 0.00 C ATOM 1292 OG SER A 85 61.495 -8.924 0.649 1.00 0.00 O ATOM 1293 OXT SER A 85 64.886 -9.335 2.248 1.00 0.00 O ATOM 0 H SER A 85 62.347 -10.562 3.016 1.00 0.00 H new ATOM 0 HA SER A 85 63.851 -11.244 0.556 1.00 0.00 H new ATOM 0 HB2 SER A 85 62.263 -10.180 -0.803 1.00 0.00 H new ATOM 0 HB3 SER A 85 61.222 -10.955 0.374 1.00 0.00 H new ATOM 0 HG SER A 85 60.628 -9.036 1.091 1.00 0.00 H new