USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=13 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 Single : A 2 THR OG1 : rot 26:sc= 0.816 USER MOD Single : A 4 LYS NZ :NH3+ 167:sc= -1.03 (180deg=-1.46) USER MOD Single : A 5 GLN :FLIP amide:sc= -1.35 F(o=-4.3!,f=-1.4) USER MOD Single : A 6 THR OG1 : rot -140:sc= -0.624 USER MOD Single : A 21 MET CE :methyl -148:sc= -0.0264 (180deg=-1.32) USER MOD Single : A 22 LYS NZ :NH3+ 148:sc= -1.99! (180deg=-4.08!) USER MOD Single : A 27 MET CE :methyl -129:sc= 0 (180deg=-0.991) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 38 ASN : amide:sc= -3.47! C(o=-3.5!,f=-8.1!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.606 X(o=-0.61,f=-0.61) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -30:sc= 0.211 USER MOD Single : A 59 LYS NZ :NH3+ -112:sc= -1.71 (180deg=-4.17!) USER MOD Single : A 62 GLN : amide:sc= -2.02 X(o=-2,f=-1.8) USER MOD Single : A 68 THR OG1 : rot -173:sc= -2.93! USER MOD Single : A 71 GLN : amide:sc= -0.349 X(o=-0.35,f=-0.054) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0.16) USER MOD Single : A 85 SER OG : rot 180:sc= -0.0581 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 49.604 -12.878 19.637 1.00 0.00 N ATOM 21 CA THR A 2 51.036 -12.599 19.599 1.00 0.00 C ATOM 22 C THR A 2 51.707 -13.377 18.480 1.00 0.00 C ATOM 23 O THR A 2 51.347 -14.523 18.209 1.00 0.00 O ATOM 24 CB THR A 2 51.696 -13.008 20.923 1.00 0.00 C ATOM 25 OG1 THR A 2 50.691 -13.301 21.883 1.00 0.00 O ATOM 26 CG2 THR A 2 52.582 -11.873 21.437 1.00 0.00 C ATOM 0 HA THR A 2 51.157 -11.529 19.431 1.00 0.00 H new ATOM 0 HB THR A 2 52.311 -13.893 20.758 1.00 0.00 H new ATOM 0 HG1 THR A 2 49.873 -13.584 21.424 1.00 0.00 H new ATOM 0 HG21 THR A 2 53.047 -12.171 22.377 1.00 0.00 H new ATOM 0 HG22 THR A 2 53.357 -11.655 20.702 1.00 0.00 H new ATOM 0 HG23 THR A 2 51.975 -10.982 21.599 1.00 0.00 H new ATOM 34 N VAL A 3 52.720 -12.778 17.865 1.00 0.00 N ATOM 35 CA VAL A 3 53.456 -13.446 16.839 1.00 0.00 C ATOM 36 C VAL A 3 54.893 -13.053 16.950 1.00 0.00 C ATOM 37 O VAL A 3 55.224 -11.882 17.120 1.00 0.00 O ATOM 38 CB VAL A 3 52.954 -13.088 15.467 1.00 0.00 C ATOM 39 CG1 VAL A 3 51.857 -14.054 15.083 1.00 0.00 C ATOM 40 CG2 VAL A 3 52.415 -11.660 15.468 1.00 0.00 C ATOM 0 H VAL A 3 53.038 -11.831 18.070 1.00 0.00 H new ATOM 0 HA VAL A 3 53.331 -14.521 16.972 1.00 0.00 H new ATOM 0 HB VAL A 3 53.769 -13.152 14.746 1.00 0.00 H new ATOM 0 HG11 VAL A 3 51.484 -13.805 14.089 1.00 0.00 H new ATOM 0 HG12 VAL A 3 52.252 -15.070 15.078 1.00 0.00 H new ATOM 0 HG13 VAL A 3 51.042 -13.985 15.804 1.00 0.00 H new ATOM 0 HG21 VAL A 3 52.053 -11.407 14.471 1.00 0.00 H new ATOM 0 HG22 VAL A 3 51.596 -11.581 16.183 1.00 0.00 H new ATOM 0 HG23 VAL A 3 53.211 -10.971 15.751 1.00 0.00 H new ATOM 50 N LYS A 4 55.730 -14.038 16.859 1.00 0.00 N ATOM 51 CA LYS A 4 57.136 -13.822 16.955 1.00 0.00 C ATOM 52 C LYS A 4 57.872 -14.875 16.180 1.00 0.00 C ATOM 53 O LYS A 4 57.531 -16.057 16.229 1.00 0.00 O ATOM 54 CB LYS A 4 57.566 -13.854 18.405 1.00 0.00 C ATOM 55 CG LYS A 4 57.055 -15.141 19.081 1.00 0.00 C ATOM 56 CD LYS A 4 55.881 -14.836 20.036 1.00 0.00 C ATOM 57 CE LYS A 4 54.532 -14.903 19.294 1.00 0.00 C ATOM 58 NZ LYS A 4 53.593 -15.764 20.066 1.00 0.00 N ATOM 0 H LYS A 4 55.458 -15.011 16.717 1.00 0.00 H new ATOM 0 HA LYS A 4 57.372 -12.844 16.536 1.00 0.00 H new ATOM 0 HB2 LYS A 4 58.653 -13.806 18.471 1.00 0.00 H new ATOM 0 HB3 LYS A 4 57.176 -12.980 18.927 1.00 0.00 H new ATOM 0 HG2 LYS A 4 56.734 -15.853 18.320 1.00 0.00 H new ATOM 0 HG3 LYS A 4 57.867 -15.612 19.636 1.00 0.00 H new ATOM 0 HD2 LYS A 4 55.883 -15.550 20.859 1.00 0.00 H new ATOM 0 HD3 LYS A 4 56.011 -13.846 20.473 1.00 0.00 H new ATOM 0 HE2 LYS A 4 54.116 -13.902 19.179 1.00 0.00 H new ATOM 0 HE3 LYS A 4 54.674 -15.306 18.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 52.628 -15.641 19.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 53.876 -16.760 19.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 53.619 -15.493 21.070 1.00 0.00 H new ATOM 72 N GLN A 5 58.860 -14.442 15.431 1.00 0.00 N ATOM 73 CA GLN A 5 59.601 -15.373 14.611 1.00 0.00 C ATOM 74 C GLN A 5 61.062 -14.988 14.472 1.00 0.00 C ATOM 75 O GLN A 5 61.431 -13.819 14.524 1.00 0.00 O ATOM 76 CB GLN A 5 58.969 -15.398 13.234 1.00 0.00 C ATOM 77 CG GLN A 5 57.446 -15.335 13.369 1.00 0.00 C ATOM 78 CD GLN A 5 56.798 -15.482 11.995 1.00 0.00 C ATOM 79 OE1 GLN A 5 56.888 -14.503 11.136 1.00 0.00 O flip ATOM 80 NE2 GLN A 5 56.195 -16.513 11.698 1.00 0.00 N flip ATOM 0 H GLN A 5 59.165 -13.471 15.372 1.00 0.00 H new ATOM 0 HA GLN A 5 59.564 -16.351 15.091 1.00 0.00 H new ATOM 0 HB2 GLN A 5 59.327 -14.555 12.643 1.00 0.00 H new ATOM 0 HB3 GLN A 5 59.260 -16.305 12.705 1.00 0.00 H new ATOM 0 HG2 GLN A 5 57.098 -16.127 14.032 1.00 0.00 H new ATOM 0 HG3 GLN A 5 57.151 -14.388 13.821 1.00 0.00 H new ATOM 0 HE21 GLN A 5 56.127 -17.276 12.372 1.00 0.00 H new ATOM 0 HE22 GLN A 5 55.764 -16.605 10.778 1.00 0.00 H new ATOM 89 N THR A 6 61.879 -15.992 14.260 1.00 0.00 N ATOM 90 CA THR A 6 63.287 -15.796 14.066 1.00 0.00 C ATOM 91 C THR A 6 63.590 -15.881 12.582 1.00 0.00 C ATOM 92 O THR A 6 63.553 -16.962 11.994 1.00 0.00 O ATOM 93 CB THR A 6 64.061 -16.871 14.825 1.00 0.00 C ATOM 94 OG1 THR A 6 63.411 -17.139 16.059 1.00 0.00 O ATOM 95 CG2 THR A 6 65.478 -16.382 15.089 1.00 0.00 C ATOM 0 H THR A 6 61.581 -16.967 14.218 1.00 0.00 H new ATOM 0 HA THR A 6 63.586 -14.818 14.443 1.00 0.00 H new ATOM 0 HB THR A 6 64.098 -17.784 14.230 1.00 0.00 H new ATOM 0 HG1 THR A 6 64.082 -17.263 16.762 1.00 0.00 H new ATOM 0 HG21 THR A 6 66.032 -17.148 15.631 1.00 0.00 H new ATOM 0 HG22 THR A 6 65.975 -16.177 14.141 1.00 0.00 H new ATOM 0 HG23 THR A 6 65.443 -15.470 15.685 1.00 0.00 H new ATOM 103 N VAL A 7 63.857 -14.736 11.969 1.00 0.00 N ATOM 104 CA VAL A 7 64.127 -14.713 10.532 1.00 0.00 C ATOM 105 C VAL A 7 65.625 -14.702 10.240 1.00 0.00 C ATOM 106 O VAL A 7 66.333 -13.761 10.596 1.00 0.00 O ATOM 107 CB VAL A 7 63.475 -13.472 9.900 1.00 0.00 C ATOM 108 CG1 VAL A 7 63.112 -13.745 8.429 1.00 0.00 C ATOM 109 CG2 VAL A 7 62.210 -13.106 10.681 1.00 0.00 C ATOM 0 H VAL A 7 63.893 -13.827 12.430 1.00 0.00 H new ATOM 0 HA VAL A 7 63.704 -15.620 10.100 1.00 0.00 H new ATOM 0 HB VAL A 7 64.183 -12.644 9.938 1.00 0.00 H new ATOM 0 HG11 VAL A 7 62.652 -12.856 7.997 1.00 0.00 H new ATOM 0 HG12 VAL A 7 64.015 -13.993 7.871 1.00 0.00 H new ATOM 0 HG13 VAL A 7 62.412 -14.579 8.376 1.00 0.00 H new ATOM 0 HG21 VAL A 7 61.748 -12.226 10.233 1.00 0.00 H new ATOM 0 HG22 VAL A 7 61.509 -13.940 10.650 1.00 0.00 H new ATOM 0 HG23 VAL A 7 62.472 -12.891 11.717 1.00 0.00 H new ATOM 119 N GLU A 8 66.092 -15.743 9.558 1.00 0.00 N ATOM 120 CA GLU A 8 67.498 -15.827 9.188 1.00 0.00 C ATOM 121 C GLU A 8 67.737 -14.931 7.982 1.00 0.00 C ATOM 122 O GLU A 8 67.192 -15.174 6.905 1.00 0.00 O ATOM 123 CB GLU A 8 67.872 -17.271 8.847 1.00 0.00 C ATOM 124 CG GLU A 8 67.833 -18.124 10.117 1.00 0.00 C ATOM 125 CD GLU A 8 68.326 -19.534 9.813 1.00 0.00 C ATOM 126 OE1 GLU A 8 68.017 -20.031 8.742 1.00 0.00 O ATOM 127 OE2 GLU A 8 69.006 -20.097 10.655 1.00 0.00 O ATOM 0 H GLU A 8 65.523 -16.533 9.253 1.00 0.00 H new ATOM 0 HA GLU A 8 68.117 -15.501 10.024 1.00 0.00 H new ATOM 0 HB2 GLU A 8 67.180 -17.671 8.106 1.00 0.00 H new ATOM 0 HB3 GLU A 8 68.867 -17.305 8.404 1.00 0.00 H new ATOM 0 HG2 GLU A 8 68.455 -17.671 10.889 1.00 0.00 H new ATOM 0 HG3 GLU A 8 66.816 -18.162 10.509 1.00 0.00 H new ATOM 134 N ILE A 9 68.522 -13.878 8.168 1.00 0.00 N ATOM 135 CA ILE A 9 68.775 -12.947 7.075 1.00 0.00 C ATOM 136 C ILE A 9 69.855 -13.450 6.142 1.00 0.00 C ATOM 137 O ILE A 9 70.789 -14.144 6.545 1.00 0.00 O ATOM 138 CB ILE A 9 69.217 -11.552 7.580 1.00 0.00 C ATOM 139 CG1 ILE A 9 69.185 -11.470 9.123 1.00 0.00 C ATOM 140 CG2 ILE A 9 68.316 -10.478 6.961 1.00 0.00 C ATOM 141 CD1 ILE A 9 68.250 -10.355 9.592 1.00 0.00 C ATOM 0 H ILE A 9 68.987 -13.649 9.047 1.00 0.00 H new ATOM 0 HA ILE A 9 67.825 -12.867 6.547 1.00 0.00 H new ATOM 0 HB ILE A 9 70.248 -11.382 7.271 1.00 0.00 H new ATOM 0 HG12 ILE A 9 68.855 -12.424 9.535 1.00 0.00 H new ATOM 0 HG13 ILE A 9 70.191 -11.290 9.502 1.00 0.00 H new ATOM 0 HG21 ILE A 9 68.626 -9.495 7.315 1.00 0.00 H new ATOM 0 HG22 ILE A 9 68.399 -10.515 5.875 1.00 0.00 H new ATOM 0 HG23 ILE A 9 67.281 -10.659 7.252 1.00 0.00 H new ATOM 0 HD11 ILE A 9 68.245 -10.318 10.681 1.00 0.00 H new ATOM 0 HD12 ILE A 9 68.597 -9.400 9.198 1.00 0.00 H new ATOM 0 HD13 ILE A 9 67.240 -10.551 9.231 1.00 0.00 H new ATOM 311 N ALA A 20 62.735 -2.130 8.100 1.00 0.00 N ATOM 312 CA ALA A 20 62.681 -2.126 9.553 1.00 0.00 C ATOM 313 C ALA A 20 61.961 -0.882 10.060 1.00 0.00 C ATOM 314 O ALA A 20 61.497 -0.840 11.196 1.00 0.00 O ATOM 315 CB ALA A 20 64.105 -2.185 10.115 1.00 0.00 C ATOM 0 HA ALA A 20 62.124 -3.000 9.891 1.00 0.00 H new ATOM 0 HB1 ALA A 20 64.067 -2.182 11.204 1.00 0.00 H new ATOM 0 HB2 ALA A 20 64.594 -3.096 9.772 1.00 0.00 H new ATOM 0 HB3 ALA A 20 64.669 -1.318 9.769 1.00 0.00 H new ATOM 321 N MET A 21 61.880 0.129 9.207 1.00 0.00 N ATOM 322 CA MET A 21 61.223 1.379 9.573 1.00 0.00 C ATOM 323 C MET A 21 59.724 1.333 9.276 1.00 0.00 C ATOM 324 O MET A 21 58.918 1.692 10.130 1.00 0.00 O ATOM 325 CB MET A 21 61.865 2.554 8.819 1.00 0.00 C ATOM 326 CG MET A 21 63.045 3.129 9.627 1.00 0.00 C ATOM 327 SD MET A 21 62.752 4.886 9.965 1.00 0.00 S ATOM 328 CE MET A 21 64.448 5.462 9.700 1.00 0.00 C ATOM 0 H MET A 21 62.259 0.110 8.260 1.00 0.00 H new ATOM 0 HA MET A 21 61.352 1.519 10.646 1.00 0.00 H new ATOM 0 HB2 MET A 21 62.213 2.221 7.841 1.00 0.00 H new ATOM 0 HB3 MET A 21 61.122 3.332 8.644 1.00 0.00 H new ATOM 0 HG2 MET A 21 63.159 2.582 10.563 1.00 0.00 H new ATOM 0 HG3 MET A 21 63.974 3.005 9.071 1.00 0.00 H new ATOM 0 HE1 MET A 21 64.651 6.310 10.354 1.00 0.00 H new ATOM 0 HE2 MET A 21 65.146 4.655 9.925 1.00 0.00 H new ATOM 0 HE3 MET A 21 64.570 5.768 8.661 1.00 0.00 H new ATOM 338 N LYS A 22 59.337 0.904 8.073 1.00 0.00 N ATOM 339 CA LYS A 22 57.913 0.858 7.750 1.00 0.00 C ATOM 340 C LYS A 22 57.149 0.217 8.900 1.00 0.00 C ATOM 341 O LYS A 22 56.123 0.735 9.320 1.00 0.00 O ATOM 342 CB LYS A 22 57.649 0.108 6.444 1.00 0.00 C ATOM 343 CG LYS A 22 58.534 -1.122 6.368 1.00 0.00 C ATOM 344 CD LYS A 22 58.219 -1.897 5.086 1.00 0.00 C ATOM 345 CE LYS A 22 58.634 -1.075 3.862 1.00 0.00 C ATOM 346 NZ LYS A 22 58.891 -1.991 2.714 1.00 0.00 N ATOM 0 H LYS A 22 59.965 0.594 7.331 1.00 0.00 H new ATOM 0 HA LYS A 22 57.564 1.881 7.608 1.00 0.00 H new ATOM 0 HB2 LYS A 22 56.600 -0.184 6.387 1.00 0.00 H new ATOM 0 HB3 LYS A 22 57.845 0.761 5.593 1.00 0.00 H new ATOM 0 HG2 LYS A 22 59.584 -0.829 6.380 1.00 0.00 H new ATOM 0 HG3 LYS A 22 58.370 -1.756 7.239 1.00 0.00 H new ATOM 0 HD2 LYS A 22 58.746 -2.851 5.089 1.00 0.00 H new ATOM 0 HD3 LYS A 22 57.153 -2.121 5.039 1.00 0.00 H new ATOM 0 HE2 LYS A 22 57.849 -0.363 3.605 1.00 0.00 H new ATOM 0 HE3 LYS A 22 59.529 -0.495 4.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 58.641 -1.512 1.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 59.898 -2.251 2.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 58.314 -2.850 2.819 1.00 0.00 H new ATOM 360 N LEU A 23 57.682 -0.876 9.447 1.00 0.00 N ATOM 361 CA LEU A 23 57.061 -1.526 10.589 1.00 0.00 C ATOM 362 C LEU A 23 56.470 -0.462 11.498 1.00 0.00 C ATOM 363 O LEU A 23 55.339 -0.564 11.966 1.00 0.00 O ATOM 364 CB LEU A 23 58.146 -2.259 11.369 1.00 0.00 C ATOM 365 CG LEU A 23 58.242 -3.721 10.955 1.00 0.00 C ATOM 366 CD1 LEU A 23 58.887 -3.826 9.565 1.00 0.00 C ATOM 367 CD2 LEU A 23 59.107 -4.447 11.987 1.00 0.00 C ATOM 0 H LEU A 23 58.537 -1.323 9.116 1.00 0.00 H new ATOM 0 HA LEU A 23 56.286 -2.215 10.254 1.00 0.00 H new ATOM 0 HB2 LEU A 23 59.106 -1.770 11.205 1.00 0.00 H new ATOM 0 HB3 LEU A 23 57.934 -2.195 12.436 1.00 0.00 H new ATOM 0 HG LEU A 23 57.250 -4.170 10.910 1.00 0.00 H new ATOM 0 HD11 LEU A 23 58.954 -4.874 9.273 1.00 0.00 H new ATOM 0 HD12 LEU A 23 58.279 -3.285 8.840 1.00 0.00 H new ATOM 0 HD13 LEU A 23 59.887 -3.393 9.594 1.00 0.00 H new ATOM 0 HD21 LEU A 23 59.193 -5.499 11.714 1.00 0.00 H new ATOM 0 HD22 LEU A 23 60.099 -3.996 12.012 1.00 0.00 H new ATOM 0 HD23 LEU A 23 58.646 -4.364 12.971 1.00 0.00 H new ATOM 379 N PHE A 24 57.291 0.552 11.739 1.00 0.00 N ATOM 380 CA PHE A 24 56.934 1.663 12.600 1.00 0.00 C ATOM 381 C PHE A 24 55.823 2.503 11.967 1.00 0.00 C ATOM 382 O PHE A 24 54.719 2.615 12.507 1.00 0.00 O ATOM 383 CB PHE A 24 58.170 2.542 12.813 1.00 0.00 C ATOM 384 CG PHE A 24 59.367 1.745 13.331 1.00 0.00 C ATOM 385 CD1 PHE A 24 60.348 2.410 14.074 1.00 0.00 C ATOM 386 CD2 PHE A 24 59.524 0.371 13.063 1.00 0.00 C ATOM 387 CE1 PHE A 24 61.469 1.726 14.545 1.00 0.00 C ATOM 388 CE2 PHE A 24 60.646 -0.310 13.538 1.00 0.00 C ATOM 389 CZ PHE A 24 61.619 0.368 14.277 1.00 0.00 C ATOM 0 H PHE A 24 58.227 0.624 11.339 1.00 0.00 H new ATOM 0 HA PHE A 24 56.575 1.272 13.552 1.00 0.00 H new ATOM 0 HB2 PHE A 24 58.437 3.024 11.872 1.00 0.00 H new ATOM 0 HB3 PHE A 24 57.931 3.336 13.521 1.00 0.00 H new ATOM 0 HD1 PHE A 24 60.237 3.463 14.285 1.00 0.00 H new ATOM 0 HD2 PHE A 24 58.776 -0.156 12.490 1.00 0.00 H new ATOM 0 HE1 PHE A 24 62.220 2.250 15.117 1.00 0.00 H new ATOM 0 HE2 PHE A 24 60.762 -1.364 13.334 1.00 0.00 H new ATOM 0 HZ PHE A 24 62.487 -0.161 14.640 1.00 0.00 H new ATOM 399 N GLU A 25 56.112 3.073 10.805 1.00 0.00 N ATOM 400 CA GLU A 25 55.127 3.872 10.101 1.00 0.00 C ATOM 401 C GLU A 25 53.941 2.986 9.780 1.00 0.00 C ATOM 402 O GLU A 25 52.812 3.444 9.619 1.00 0.00 O ATOM 403 CB GLU A 25 55.749 4.424 8.818 1.00 0.00 C ATOM 404 CG GLU A 25 54.663 4.658 7.772 1.00 0.00 C ATOM 405 CD GLU A 25 55.169 5.608 6.692 1.00 0.00 C ATOM 406 OE1 GLU A 25 56.252 5.372 6.182 1.00 0.00 O ATOM 407 OE2 GLU A 25 54.466 6.559 6.390 1.00 0.00 O ATOM 0 H GLU A 25 57.014 2.996 10.335 1.00 0.00 H new ATOM 0 HA GLU A 25 54.799 4.711 10.714 1.00 0.00 H new ATOM 0 HB2 GLU A 25 56.270 5.358 9.029 1.00 0.00 H new ATOM 0 HB3 GLU A 25 56.491 3.725 8.434 1.00 0.00 H new ATOM 0 HG2 GLU A 25 54.369 3.709 7.323 1.00 0.00 H new ATOM 0 HG3 GLU A 25 53.775 5.075 8.246 1.00 0.00 H new ATOM 414 N LEU A 26 54.233 1.702 9.707 1.00 0.00 N ATOM 415 CA LEU A 26 53.226 0.700 9.430 1.00 0.00 C ATOM 416 C LEU A 26 52.491 0.368 10.718 1.00 0.00 C ATOM 417 O LEU A 26 51.301 0.060 10.702 1.00 0.00 O ATOM 418 CB LEU A 26 53.898 -0.546 8.837 1.00 0.00 C ATOM 419 CG LEU A 26 52.862 -1.624 8.495 1.00 0.00 C ATOM 420 CD1 LEU A 26 52.380 -2.320 9.773 1.00 0.00 C ATOM 421 CD2 LEU A 26 51.669 -0.995 7.766 1.00 0.00 C ATOM 0 H LEU A 26 55.172 1.326 9.838 1.00 0.00 H new ATOM 0 HA LEU A 26 52.504 1.075 8.705 1.00 0.00 H new ATOM 0 HB2 LEU A 26 54.451 -0.272 7.939 1.00 0.00 H new ATOM 0 HB3 LEU A 26 54.622 -0.945 9.548 1.00 0.00 H new ATOM 0 HG LEU A 26 53.329 -2.363 7.844 1.00 0.00 H new ATOM 0 HD11 LEU A 26 51.645 -3.083 9.517 1.00 0.00 H new ATOM 0 HD12 LEU A 26 53.228 -2.787 10.275 1.00 0.00 H new ATOM 0 HD13 LEU A 26 51.924 -1.586 10.437 1.00 0.00 H new ATOM 0 HD21 LEU A 26 50.939 -1.769 7.528 1.00 0.00 H new ATOM 0 HD22 LEU A 26 51.206 -0.244 8.406 1.00 0.00 H new ATOM 0 HD23 LEU A 26 52.013 -0.524 6.845 1.00 0.00 H new ATOM 433 N MET A 27 53.192 0.475 11.844 1.00 0.00 N ATOM 434 CA MET A 27 52.553 0.222 13.121 1.00 0.00 C ATOM 435 C MET A 27 51.388 1.182 13.234 1.00 0.00 C ATOM 436 O MET A 27 50.378 0.892 13.873 1.00 0.00 O ATOM 437 CB MET A 27 53.524 0.431 14.298 1.00 0.00 C ATOM 438 CG MET A 27 54.418 -0.806 14.496 1.00 0.00 C ATOM 439 SD MET A 27 54.489 -1.228 16.256 1.00 0.00 S ATOM 440 CE MET A 27 55.590 0.113 16.767 1.00 0.00 C ATOM 0 H MET A 27 54.179 0.729 11.894 1.00 0.00 H new ATOM 0 HA MET A 27 52.222 -0.815 13.167 1.00 0.00 H new ATOM 0 HB2 MET A 27 54.145 1.308 14.112 1.00 0.00 H new ATOM 0 HB3 MET A 27 52.960 0.627 15.210 1.00 0.00 H new ATOM 0 HG2 MET A 27 54.024 -1.647 13.926 1.00 0.00 H new ATOM 0 HG3 MET A 27 55.421 -0.607 14.119 1.00 0.00 H new ATOM 0 HE1 MET A 27 56.420 -0.297 17.342 1.00 0.00 H new ATOM 0 HE2 MET A 27 55.977 0.622 15.884 1.00 0.00 H new ATOM 0 HE3 MET A 27 55.037 0.823 17.383 1.00 0.00 H new ATOM 450 N GLN A 28 51.525 2.320 12.557 1.00 0.00 N ATOM 451 CA GLN A 28 50.453 3.298 12.540 1.00 0.00 C ATOM 452 C GLN A 28 49.360 2.767 11.625 1.00 0.00 C ATOM 453 O GLN A 28 48.224 3.240 11.638 1.00 0.00 O ATOM 454 CB GLN A 28 50.961 4.654 12.035 1.00 0.00 C ATOM 455 CG GLN A 28 51.560 5.445 13.201 1.00 0.00 C ATOM 456 CD GLN A 28 52.141 6.761 12.695 1.00 0.00 C ATOM 457 OE1 GLN A 28 53.234 6.781 12.130 1.00 0.00 O ATOM 458 NE2 GLN A 28 51.471 7.868 12.867 1.00 0.00 N ATOM 0 H GLN A 28 52.354 2.580 12.023 1.00 0.00 H new ATOM 0 HA GLN A 28 50.068 3.450 13.548 1.00 0.00 H new ATOM 0 HB2 GLN A 28 51.712 4.506 11.259 1.00 0.00 H new ATOM 0 HB3 GLN A 28 50.143 5.215 11.584 1.00 0.00 H new ATOM 0 HG2 GLN A 28 50.793 5.641 13.950 1.00 0.00 H new ATOM 0 HG3 GLN A 28 52.339 4.858 13.688 1.00 0.00 H new ATOM 0 HE21 GLN A 28 50.565 7.848 13.336 1.00 0.00 H new ATOM 0 HE22 GLN A 28 51.853 8.753 12.533 1.00 0.00 H new ATOM 467 N GLY A 29 49.728 1.746 10.848 1.00 0.00 N ATOM 468 CA GLY A 29 48.791 1.098 9.934 1.00 0.00 C ATOM 469 C GLY A 29 48.168 -0.113 10.615 1.00 0.00 C ATOM 470 O GLY A 29 46.946 -0.252 10.664 1.00 0.00 O ATOM 0 H GLY A 29 50.669 1.352 10.835 1.00 0.00 H new ATOM 0 HA2 GLY A 29 48.013 1.801 9.636 1.00 0.00 H new ATOM 0 HA3 GLY A 29 49.308 0.791 9.025 1.00 0.00 H new ATOM 474 N PHE A 30 49.022 -0.968 11.180 1.00 0.00 N ATOM 475 CA PHE A 30 48.549 -2.145 11.907 1.00 0.00 C ATOM 476 C PHE A 30 48.713 -1.865 13.390 1.00 0.00 C ATOM 477 O PHE A 30 49.703 -1.263 13.799 1.00 0.00 O ATOM 478 CB PHE A 30 49.356 -3.411 11.594 1.00 0.00 C ATOM 479 CG PHE A 30 49.490 -3.698 10.116 1.00 0.00 C ATOM 480 CD1 PHE A 30 48.872 -2.931 9.125 1.00 0.00 C ATOM 481 CD2 PHE A 30 50.295 -4.762 9.756 1.00 0.00 C ATOM 482 CE1 PHE A 30 49.088 -3.248 7.776 1.00 0.00 C ATOM 483 CE2 PHE A 30 50.509 -5.084 8.424 1.00 0.00 C ATOM 484 CZ PHE A 30 49.912 -4.326 7.426 1.00 0.00 C ATOM 0 H PHE A 30 50.037 -0.868 11.148 1.00 0.00 H new ATOM 0 HA PHE A 30 47.515 -2.322 11.610 1.00 0.00 H new ATOM 0 HB2 PHE A 30 50.351 -3.313 12.027 1.00 0.00 H new ATOM 0 HB3 PHE A 30 48.880 -4.263 12.079 1.00 0.00 H new ATOM 0 HD1 PHE A 30 48.234 -2.102 9.395 1.00 0.00 H new ATOM 0 HD2 PHE A 30 50.766 -5.354 10.526 1.00 0.00 H new ATOM 0 HE1 PHE A 30 48.617 -2.658 7.003 1.00 0.00 H new ATOM 0 HE2 PHE A 30 51.138 -5.922 8.164 1.00 0.00 H new ATOM 0 HZ PHE A 30 50.081 -4.566 6.387 1.00 0.00 H new ATOM 494 N ASP A 31 47.774 -2.318 14.203 1.00 0.00 N ATOM 495 CA ASP A 31 47.888 -2.110 15.626 1.00 0.00 C ATOM 496 C ASP A 31 48.578 -3.313 16.200 1.00 0.00 C ATOM 497 O ASP A 31 47.971 -4.369 16.370 1.00 0.00 O ATOM 498 CB ASP A 31 46.512 -1.927 16.259 1.00 0.00 C ATOM 499 CG ASP A 31 46.659 -1.595 17.740 1.00 0.00 C ATOM 500 OD1 ASP A 31 47.778 -1.619 18.224 1.00 0.00 O ATOM 501 OD2 ASP A 31 45.650 -1.321 18.369 1.00 0.00 O ATOM 0 H ASP A 31 46.940 -2.823 13.904 1.00 0.00 H new ATOM 0 HA ASP A 31 48.459 -1.205 15.833 1.00 0.00 H new ATOM 0 HB2 ASP A 31 45.972 -1.128 15.751 1.00 0.00 H new ATOM 0 HB3 ASP A 31 45.923 -2.836 16.138 1.00 0.00 H new ATOM 506 N ALA A 32 49.862 -3.171 16.460 1.00 0.00 N ATOM 507 CA ALA A 32 50.612 -4.264 16.967 1.00 0.00 C ATOM 508 C ALA A 32 51.946 -3.777 17.466 1.00 0.00 C ATOM 509 O ALA A 32 52.481 -2.778 16.990 1.00 0.00 O ATOM 510 CB ALA A 32 50.790 -5.299 15.874 1.00 0.00 C ATOM 0 H ALA A 32 50.390 -2.309 16.324 1.00 0.00 H new ATOM 0 HA ALA A 32 50.081 -4.723 17.801 1.00 0.00 H new ATOM 0 HB1 ALA A 32 51.366 -6.140 16.260 1.00 0.00 H new ATOM 0 HB2 ALA A 32 49.813 -5.650 15.542 1.00 0.00 H new ATOM 0 HB3 ALA A 32 51.320 -4.852 15.033 1.00 0.00 H new ATOM 516 N GLU A 33 52.459 -4.482 18.438 1.00 0.00 N ATOM 517 CA GLU A 33 53.713 -4.140 19.040 1.00 0.00 C ATOM 518 C GLU A 33 54.748 -5.152 18.640 1.00 0.00 C ATOM 519 O GLU A 33 54.956 -6.170 19.301 1.00 0.00 O ATOM 520 CB GLU A 33 53.513 -4.129 20.529 1.00 0.00 C ATOM 521 CG GLU A 33 54.097 -2.847 21.095 1.00 0.00 C ATOM 522 CD GLU A 33 54.054 -2.870 22.619 1.00 0.00 C ATOM 523 OE1 GLU A 33 52.979 -2.682 23.164 1.00 0.00 O ATOM 524 OE2 GLU A 33 55.096 -3.076 23.219 1.00 0.00 O ATOM 0 H GLU A 33 52.016 -5.311 18.834 1.00 0.00 H new ATOM 0 HA GLU A 33 54.059 -3.160 18.710 1.00 0.00 H new ATOM 0 HB2 GLU A 33 52.451 -4.197 20.767 1.00 0.00 H new ATOM 0 HB3 GLU A 33 53.997 -4.995 20.981 1.00 0.00 H new ATOM 0 HG2 GLU A 33 55.126 -2.728 20.756 1.00 0.00 H new ATOM 0 HG3 GLU A 33 53.537 -1.989 20.722 1.00 0.00 H new ATOM 531 N VAL A 34 55.362 -4.869 17.525 1.00 0.00 N ATOM 532 CA VAL A 34 56.353 -5.751 16.971 1.00 0.00 C ATOM 533 C VAL A 34 57.746 -5.342 17.387 1.00 0.00 C ATOM 534 O VAL A 34 58.129 -4.186 17.270 1.00 0.00 O ATOM 535 CB VAL A 34 56.182 -5.800 15.452 1.00 0.00 C ATOM 536 CG1 VAL A 34 54.705 -5.576 15.105 1.00 0.00 C ATOM 537 CG2 VAL A 34 57.015 -4.721 14.778 1.00 0.00 C ATOM 0 H VAL A 34 55.192 -4.026 16.977 1.00 0.00 H new ATOM 0 HA VAL A 34 56.210 -6.758 17.364 1.00 0.00 H new ATOM 0 HB VAL A 34 56.515 -6.775 15.096 1.00 0.00 H new ATOM 0 HG11 VAL A 34 54.576 -5.610 14.023 1.00 0.00 H new ATOM 0 HG12 VAL A 34 54.100 -6.356 15.567 1.00 0.00 H new ATOM 0 HG13 VAL A 34 54.387 -4.602 15.478 1.00 0.00 H new ATOM 0 HG21 VAL A 34 56.877 -4.776 13.698 1.00 0.00 H new ATOM 0 HG22 VAL A 34 56.698 -3.741 15.135 1.00 0.00 H new ATOM 0 HG23 VAL A 34 58.068 -4.872 15.017 1.00 0.00 H new ATOM 547 N LEU A 35 58.490 -6.309 17.909 1.00 0.00 N ATOM 548 CA LEU A 35 59.840 -6.045 18.370 1.00 0.00 C ATOM 549 C LEU A 35 60.851 -6.835 17.540 1.00 0.00 C ATOM 550 O LEU A 35 60.610 -7.983 17.169 1.00 0.00 O ATOM 551 CB LEU A 35 59.957 -6.412 19.852 1.00 0.00 C ATOM 552 CG LEU A 35 61.415 -6.736 20.203 1.00 0.00 C ATOM 553 CD1 LEU A 35 61.633 -6.512 21.698 1.00 0.00 C ATOM 554 CD2 LEU A 35 61.733 -8.200 19.846 1.00 0.00 C ATOM 0 H LEU A 35 58.181 -7.275 18.022 1.00 0.00 H new ATOM 0 HA LEU A 35 60.058 -4.984 18.249 1.00 0.00 H new ATOM 0 HB2 LEU A 35 59.602 -5.586 20.468 1.00 0.00 H new ATOM 0 HB3 LEU A 35 59.323 -7.270 20.073 1.00 0.00 H new ATOM 0 HG LEU A 35 62.076 -6.084 19.633 1.00 0.00 H new ATOM 0 HD11 LEU A 35 62.668 -6.741 21.953 1.00 0.00 H new ATOM 0 HD12 LEU A 35 61.420 -5.472 21.945 1.00 0.00 H new ATOM 0 HD13 LEU A 35 60.967 -7.163 22.264 1.00 0.00 H new ATOM 0 HD21 LEU A 35 62.770 -8.419 20.099 1.00 0.00 H new ATOM 0 HD22 LEU A 35 61.075 -8.863 20.408 1.00 0.00 H new ATOM 0 HD23 LEU A 35 61.580 -8.356 18.778 1.00 0.00 H new ATOM 566 N LEU A 36 61.969 -6.191 17.233 1.00 0.00 N ATOM 567 CA LEU A 36 63.018 -6.798 16.425 1.00 0.00 C ATOM 568 C LEU A 36 64.273 -7.068 17.250 1.00 0.00 C ATOM 569 O LEU A 36 64.770 -6.177 17.922 1.00 0.00 O ATOM 570 CB LEU A 36 63.378 -5.817 15.324 1.00 0.00 C ATOM 571 CG LEU A 36 62.378 -5.916 14.177 1.00 0.00 C ATOM 572 CD1 LEU A 36 60.950 -5.816 14.723 1.00 0.00 C ATOM 573 CD2 LEU A 36 62.626 -4.762 13.212 1.00 0.00 C ATOM 0 H LEU A 36 62.174 -5.238 17.535 1.00 0.00 H new ATOM 0 HA LEU A 36 62.655 -7.746 16.029 1.00 0.00 H new ATOM 0 HB2 LEU A 36 63.387 -4.802 15.721 1.00 0.00 H new ATOM 0 HB3 LEU A 36 64.383 -6.024 14.958 1.00 0.00 H new ATOM 0 HG LEU A 36 62.500 -6.871 13.665 1.00 0.00 H new ATOM 0 HD11 LEU A 36 60.240 -5.887 13.899 1.00 0.00 H new ATOM 0 HD12 LEU A 36 60.772 -6.629 15.427 1.00 0.00 H new ATOM 0 HD13 LEU A 36 60.821 -4.861 15.232 1.00 0.00 H new ATOM 0 HD21 LEU A 36 61.917 -4.820 12.386 1.00 0.00 H new ATOM 0 HD22 LEU A 36 62.496 -3.815 13.736 1.00 0.00 H new ATOM 0 HD23 LEU A 36 63.642 -4.825 12.823 1.00 0.00 H new ATOM 585 N ARG A 37 64.801 -8.285 17.181 1.00 0.00 N ATOM 586 CA ARG A 37 66.006 -8.610 17.910 1.00 0.00 C ATOM 587 C ARG A 37 66.849 -9.628 17.178 1.00 0.00 C ATOM 588 O ARG A 37 66.355 -10.380 16.350 1.00 0.00 O ATOM 589 CB ARG A 37 65.669 -9.171 19.280 1.00 0.00 C ATOM 590 CG ARG A 37 65.086 -10.581 19.147 1.00 0.00 C ATOM 591 CD ARG A 37 64.156 -10.885 20.329 1.00 0.00 C ATOM 592 NE ARG A 37 64.638 -10.249 21.559 1.00 0.00 N ATOM 593 CZ ARG A 37 65.900 -10.353 21.968 1.00 0.00 C ATOM 594 NH1 ARG A 37 66.289 -9.722 23.042 1.00 0.00 N ATOM 595 NH2 ARG A 37 66.744 -11.106 21.318 1.00 0.00 N ATOM 0 H ARG A 37 64.413 -9.052 16.631 1.00 0.00 H new ATOM 0 HA ARG A 37 66.570 -7.682 18.008 1.00 0.00 H new ATOM 0 HB2 ARG A 37 66.565 -9.197 19.900 1.00 0.00 H new ATOM 0 HB3 ARG A 37 64.953 -8.520 19.781 1.00 0.00 H new ATOM 0 HG2 ARG A 37 64.535 -10.668 18.210 1.00 0.00 H new ATOM 0 HG3 ARG A 37 65.892 -11.314 19.112 1.00 0.00 H new ATOM 0 HD2 ARG A 37 63.150 -10.532 20.104 1.00 0.00 H new ATOM 0 HD3 ARG A 37 64.090 -11.963 20.475 1.00 0.00 H new ATOM 0 HE ARG A 37 63.982 -9.707 22.122 1.00 0.00 H new ATOM 0 HH11 ARG A 37 65.626 -9.151 23.566 1.00 0.00 H new ATOM 0 HH12 ARG A 37 67.256 -9.800 23.357 1.00 0.00 H new ATOM 0 HH21 ARG A 37 66.438 -11.619 20.491 1.00 0.00 H new ATOM 0 HH22 ARG A 37 67.710 -11.182 21.636 1.00 0.00 H new ATOM 609 N ASN A 38 68.118 -9.672 17.540 1.00 0.00 N ATOM 610 CA ASN A 38 69.037 -10.636 16.951 1.00 0.00 C ATOM 611 C ASN A 38 69.239 -11.797 17.900 1.00 0.00 C ATOM 612 O ASN A 38 69.461 -11.587 19.100 1.00 0.00 O ATOM 613 CB ASN A 38 70.421 -10.050 16.731 1.00 0.00 C ATOM 614 CG ASN A 38 70.440 -8.960 15.693 1.00 0.00 C ATOM 615 OD1 ASN A 38 69.526 -8.830 14.884 1.00 0.00 O ATOM 616 ND2 ASN A 38 71.463 -8.164 15.675 1.00 0.00 N ATOM 0 H ASN A 38 68.537 -9.055 18.236 1.00 0.00 H new ATOM 0 HA ASN A 38 68.594 -10.936 16.001 1.00 0.00 H new ATOM 0 HB2 ASN A 38 70.795 -9.652 17.674 1.00 0.00 H new ATOM 0 HB3 ASN A 38 71.102 -10.845 16.428 1.00 0.00 H new ATOM 0 HD21 ASN A 38 71.516 -7.417 14.982 1.00 0.00 H new ATOM 0 HD22 ASN A 38 72.215 -8.284 16.354 1.00 0.00 H new ATOM 623 N ASP A 39 69.234 -13.005 17.356 1.00 0.00 N ATOM 624 CA ASP A 39 69.480 -14.185 18.172 1.00 0.00 C ATOM 625 C ASP A 39 70.777 -13.984 18.950 1.00 0.00 C ATOM 626 O ASP A 39 71.122 -14.771 19.832 1.00 0.00 O ATOM 627 CB ASP A 39 69.590 -15.429 17.287 1.00 0.00 C ATOM 628 CG ASP A 39 70.062 -16.620 18.115 1.00 0.00 C ATOM 629 OD1 ASP A 39 70.873 -17.381 17.613 1.00 0.00 O ATOM 630 OD2 ASP A 39 69.607 -16.753 19.239 1.00 0.00 O ATOM 0 H ASP A 39 69.065 -13.193 16.368 1.00 0.00 H new ATOM 0 HA ASP A 39 68.651 -14.328 18.865 1.00 0.00 H new ATOM 0 HB2 ASP A 39 68.623 -15.650 16.835 1.00 0.00 H new ATOM 0 HB3 ASP A 39 70.288 -15.244 16.471 1.00 0.00 H new ATOM 635 N GLU A 40 71.483 -12.906 18.610 1.00 0.00 N ATOM 636 CA GLU A 40 72.741 -12.568 19.265 1.00 0.00 C ATOM 637 C GLU A 40 72.470 -11.998 20.647 1.00 0.00 C ATOM 638 O GLU A 40 73.341 -11.995 21.516 1.00 0.00 O ATOM 639 CB GLU A 40 73.469 -11.495 18.448 1.00 0.00 C ATOM 640 CG GLU A 40 74.303 -12.134 17.340 1.00 0.00 C ATOM 641 CD GLU A 40 75.408 -12.999 17.937 1.00 0.00 C ATOM 642 OE1 GLU A 40 75.512 -14.148 17.541 1.00 0.00 O ATOM 643 OE2 GLU A 40 76.133 -12.500 18.782 1.00 0.00 O ATOM 0 H GLU A 40 71.201 -12.251 17.881 1.00 0.00 H new ATOM 0 HA GLU A 40 73.347 -13.471 19.343 1.00 0.00 H new ATOM 0 HB2 GLU A 40 72.744 -10.807 18.013 1.00 0.00 H new ATOM 0 HB3 GLU A 40 74.113 -10.907 19.102 1.00 0.00 H new ATOM 0 HG2 GLU A 40 73.664 -12.741 16.699 1.00 0.00 H new ATOM 0 HG3 GLU A 40 74.740 -11.358 16.711 1.00 0.00 H new ATOM 650 N GLY A 41 71.259 -11.491 20.828 1.00 0.00 N ATOM 651 CA GLY A 41 70.873 -10.888 22.090 1.00 0.00 C ATOM 652 C GLY A 41 70.558 -9.414 21.883 1.00 0.00 C ATOM 653 O GLY A 41 70.245 -8.698 22.834 1.00 0.00 O ATOM 0 H GLY A 41 70.529 -11.486 20.116 1.00 0.00 H new ATOM 0 HA2 GLY A 41 70.002 -11.401 22.497 1.00 0.00 H new ATOM 0 HA3 GLY A 41 71.677 -10.999 22.817 1.00 0.00 H new ATOM 657 N THR A 42 70.619 -8.965 20.625 1.00 0.00 N ATOM 658 CA THR A 42 70.306 -7.564 20.328 1.00 0.00 C ATOM 659 C THR A 42 68.801 -7.426 20.194 1.00 0.00 C ATOM 660 O THR A 42 68.175 -8.200 19.480 1.00 0.00 O ATOM 661 CB THR A 42 70.999 -7.081 19.037 1.00 0.00 C ATOM 662 OG1 THR A 42 72.242 -6.481 19.371 1.00 0.00 O ATOM 663 CG2 THR A 42 70.114 -6.049 18.319 1.00 0.00 C ATOM 0 H THR A 42 70.875 -9.533 19.817 1.00 0.00 H new ATOM 0 HA THR A 42 70.677 -6.942 21.143 1.00 0.00 H new ATOM 0 HB THR A 42 71.162 -7.933 18.377 1.00 0.00 H new ATOM 0 HG1 THR A 42 72.687 -6.174 18.554 1.00 0.00 H new ATOM 0 HG21 THR A 42 70.611 -5.714 17.409 1.00 0.00 H new ATOM 0 HG22 THR A 42 69.158 -6.505 18.063 1.00 0.00 H new ATOM 0 HG23 THR A 42 69.945 -5.195 18.975 1.00 0.00 H new ATOM 671 N GLU A 43 68.225 -6.454 20.893 1.00 0.00 N ATOM 672 CA GLU A 43 66.778 -6.254 20.848 1.00 0.00 C ATOM 673 C GLU A 43 66.422 -4.861 20.358 1.00 0.00 C ATOM 674 O GLU A 43 66.960 -3.864 20.838 1.00 0.00 O ATOM 675 CB GLU A 43 66.176 -6.481 22.242 1.00 0.00 C ATOM 676 CG GLU A 43 67.233 -6.200 23.313 1.00 0.00 C ATOM 677 CD GLU A 43 67.830 -4.812 23.108 1.00 0.00 C ATOM 678 OE1 GLU A 43 67.136 -3.845 23.374 1.00 0.00 O ATOM 679 OE2 GLU A 43 68.973 -4.736 22.689 1.00 0.00 O ATOM 0 H GLU A 43 68.729 -5.799 21.491 1.00 0.00 H new ATOM 0 HA GLU A 43 66.363 -6.976 20.145 1.00 0.00 H new ATOM 0 HB2 GLU A 43 65.315 -5.829 22.387 1.00 0.00 H new ATOM 0 HB3 GLU A 43 65.818 -7.507 22.331 1.00 0.00 H new ATOM 0 HG2 GLU A 43 66.785 -6.269 24.304 1.00 0.00 H new ATOM 0 HG3 GLU A 43 68.019 -6.953 23.266 1.00 0.00 H new ATOM 686 N ALA A 44 65.501 -4.802 19.397 1.00 0.00 N ATOM 687 CA ALA A 44 65.072 -3.530 18.849 1.00 0.00 C ATOM 688 C ALA A 44 63.557 -3.402 18.846 1.00 0.00 C ATOM 689 O ALA A 44 62.856 -4.167 18.184 1.00 0.00 O ATOM 690 CB ALA A 44 65.582 -3.381 17.414 1.00 0.00 C ATOM 0 H ALA A 44 65.044 -5.618 18.989 1.00 0.00 H new ATOM 0 HA ALA A 44 65.486 -2.746 19.482 1.00 0.00 H new ATOM 0 HB1 ALA A 44 65.256 -2.423 17.009 1.00 0.00 H new ATOM 0 HB2 ALA A 44 66.671 -3.425 17.409 1.00 0.00 H new ATOM 0 HB3 ALA A 44 65.183 -4.189 16.800 1.00 0.00 H new ATOM 696 N GLU A 45 63.066 -2.395 19.553 1.00 0.00 N ATOM 697 CA GLU A 45 61.642 -2.131 19.590 1.00 0.00 C ATOM 698 C GLU A 45 61.255 -1.445 18.290 1.00 0.00 C ATOM 699 O GLU A 45 61.727 -0.346 18.005 1.00 0.00 O ATOM 700 CB GLU A 45 61.307 -1.222 20.773 1.00 0.00 C ATOM 701 CG GLU A 45 61.281 -2.047 22.057 1.00 0.00 C ATOM 702 CD GLU A 45 61.169 -1.126 23.268 1.00 0.00 C ATOM 703 OE1 GLU A 45 61.139 0.078 23.071 1.00 0.00 O ATOM 704 OE2 GLU A 45 61.116 -1.638 24.374 1.00 0.00 O ATOM 0 H GLU A 45 63.633 -1.752 20.106 1.00 0.00 H new ATOM 0 HA GLU A 45 61.091 -3.065 19.706 1.00 0.00 H new ATOM 0 HB2 GLU A 45 62.047 -0.426 20.855 1.00 0.00 H new ATOM 0 HB3 GLU A 45 60.340 -0.744 20.616 1.00 0.00 H new ATOM 0 HG2 GLU A 45 60.439 -2.739 22.037 1.00 0.00 H new ATOM 0 HG3 GLU A 45 62.187 -2.649 22.130 1.00 0.00 H new ATOM 711 N ALA A 46 60.438 -2.112 17.486 1.00 0.00 N ATOM 712 CA ALA A 46 60.035 -1.567 16.196 1.00 0.00 C ATOM 713 C ALA A 46 59.531 -0.125 16.287 1.00 0.00 C ATOM 714 O ALA A 46 58.646 0.271 15.528 1.00 0.00 O ATOM 715 CB ALA A 46 58.925 -2.412 15.606 1.00 0.00 C ATOM 0 H ALA A 46 60.043 -3.027 17.702 1.00 0.00 H new ATOM 0 HA ALA A 46 60.925 -1.579 15.567 1.00 0.00 H new ATOM 0 HB1 ALA A 46 58.628 -2.000 14.642 1.00 0.00 H new ATOM 0 HB2 ALA A 46 59.279 -3.434 15.470 1.00 0.00 H new ATOM 0 HB3 ALA A 46 58.069 -2.411 16.281 1.00 0.00 H new ATOM 721 N ASN A 47 60.085 0.658 17.199 1.00 0.00 N ATOM 722 CA ASN A 47 59.672 2.048 17.352 1.00 0.00 C ATOM 723 C ASN A 47 60.894 2.933 17.532 1.00 0.00 C ATOM 724 O ASN A 47 60.786 4.158 17.590 1.00 0.00 O ATOM 725 CB ASN A 47 58.747 2.191 18.562 1.00 0.00 C ATOM 726 CG ASN A 47 58.375 3.656 18.762 1.00 0.00 C ATOM 727 OD1 ASN A 47 58.624 4.221 19.827 1.00 0.00 O ATOM 728 ND2 ASN A 47 57.790 4.308 17.795 1.00 0.00 N ATOM 0 H ASN A 47 60.818 0.359 17.842 1.00 0.00 H new ATOM 0 HA ASN A 47 59.134 2.357 16.456 1.00 0.00 H new ATOM 0 HB2 ASN A 47 57.846 1.595 18.414 1.00 0.00 H new ATOM 0 HB3 ASN A 47 59.240 1.807 19.455 1.00 0.00 H new ATOM 0 HD21 ASN A 47 57.538 5.288 17.920 1.00 0.00 H new ATOM 0 HD22 ASN A 47 57.585 3.837 16.914 1.00 0.00 H new ATOM 735 N SER A 48 62.060 2.299 17.624 1.00 0.00 N ATOM 736 CA SER A 48 63.309 3.032 17.803 1.00 0.00 C ATOM 737 C SER A 48 64.327 2.644 16.734 1.00 0.00 C ATOM 738 O SER A 48 64.822 1.518 16.718 1.00 0.00 O ATOM 739 CB SER A 48 63.883 2.730 19.187 1.00 0.00 C ATOM 740 OG SER A 48 63.416 3.703 20.113 1.00 0.00 O ATOM 0 H SER A 48 62.166 1.286 17.578 1.00 0.00 H new ATOM 0 HA SER A 48 63.101 4.098 17.711 1.00 0.00 H new ATOM 0 HB2 SER A 48 63.583 1.733 19.508 1.00 0.00 H new ATOM 0 HB3 SER A 48 64.972 2.739 19.151 1.00 0.00 H new ATOM 0 HG SER A 48 63.781 3.511 21.002 1.00 0.00 H new ATOM 746 N VAL A 49 64.649 3.587 15.852 1.00 0.00 N ATOM 747 CA VAL A 49 65.627 3.323 14.802 1.00 0.00 C ATOM 748 C VAL A 49 66.994 3.107 15.424 1.00 0.00 C ATOM 749 O VAL A 49 67.851 2.428 14.858 1.00 0.00 O ATOM 750 CB VAL A 49 65.686 4.491 13.822 1.00 0.00 C ATOM 751 CG1 VAL A 49 66.395 4.048 12.541 1.00 0.00 C ATOM 752 CG2 VAL A 49 64.262 4.940 13.488 1.00 0.00 C ATOM 0 H VAL A 49 64.253 4.527 15.843 1.00 0.00 H new ATOM 0 HA VAL A 49 65.327 2.427 14.259 1.00 0.00 H new ATOM 0 HB VAL A 49 66.236 5.318 14.271 1.00 0.00 H new ATOM 0 HG11 VAL A 49 66.437 4.883 11.841 1.00 0.00 H new ATOM 0 HG12 VAL A 49 67.408 3.723 12.779 1.00 0.00 H new ATOM 0 HG13 VAL A 49 65.846 3.222 12.088 1.00 0.00 H new ATOM 0 HG21 VAL A 49 64.298 5.775 12.788 1.00 0.00 H new ATOM 0 HG22 VAL A 49 63.716 4.112 13.037 1.00 0.00 H new ATOM 0 HG23 VAL A 49 63.756 5.254 14.401 1.00 0.00 H new ATOM 762 N ILE A 50 67.176 3.666 16.612 1.00 0.00 N ATOM 763 CA ILE A 50 68.406 3.521 17.336 1.00 0.00 C ATOM 764 C ILE A 50 68.630 2.046 17.592 1.00 0.00 C ATOM 765 O ILE A 50 69.756 1.549 17.577 1.00 0.00 O ATOM 766 CB ILE A 50 68.245 4.297 18.645 1.00 0.00 C ATOM 767 CG1 ILE A 50 69.357 5.340 18.781 1.00 0.00 C ATOM 768 CG2 ILE A 50 68.254 3.357 19.843 1.00 0.00 C ATOM 769 CD1 ILE A 50 70.732 4.662 18.716 1.00 0.00 C ATOM 0 H ILE A 50 66.471 4.228 17.089 1.00 0.00 H new ATOM 0 HA ILE A 50 69.265 3.907 16.788 1.00 0.00 H new ATOM 0 HB ILE A 50 67.282 4.806 18.622 1.00 0.00 H new ATOM 0 HG12 ILE A 50 69.271 6.080 17.985 1.00 0.00 H new ATOM 0 HG13 ILE A 50 69.251 5.874 19.725 1.00 0.00 H new ATOM 0 HG21 ILE A 50 68.138 3.935 20.760 1.00 0.00 H new ATOM 0 HG22 ILE A 50 67.431 2.647 19.755 1.00 0.00 H new ATOM 0 HG23 ILE A 50 69.199 2.815 19.873 1.00 0.00 H new ATOM 0 HD11 ILE A 50 71.514 5.415 18.814 1.00 0.00 H new ATOM 0 HD12 ILE A 50 70.820 3.940 19.527 1.00 0.00 H new ATOM 0 HD13 ILE A 50 70.840 4.149 17.760 1.00 0.00 H new ATOM 781 N ALA A 51 67.522 1.359 17.819 1.00 0.00 N ATOM 782 CA ALA A 51 67.548 -0.057 18.073 1.00 0.00 C ATOM 783 C ALA A 51 67.752 -0.806 16.760 1.00 0.00 C ATOM 784 O ALA A 51 68.487 -1.791 16.708 1.00 0.00 O ATOM 785 CB ALA A 51 66.240 -0.457 18.750 1.00 0.00 C ATOM 0 H ALA A 51 66.589 1.772 17.831 1.00 0.00 H new ATOM 0 HA ALA A 51 68.375 -0.315 18.735 1.00 0.00 H new ATOM 0 HB1 ALA A 51 66.246 -1.529 18.949 1.00 0.00 H new ATOM 0 HB2 ALA A 51 66.136 0.086 19.690 1.00 0.00 H new ATOM 0 HB3 ALA A 51 65.403 -0.214 18.096 1.00 0.00 H new ATOM 791 N LEU A 52 67.133 -0.310 15.688 1.00 0.00 N ATOM 792 CA LEU A 52 67.306 -0.925 14.386 1.00 0.00 C ATOM 793 C LEU A 52 68.778 -0.831 14.015 1.00 0.00 C ATOM 794 O LEU A 52 69.356 -1.754 13.448 1.00 0.00 O ATOM 795 CB LEU A 52 66.471 -0.189 13.327 1.00 0.00 C ATOM 796 CG LEU A 52 64.961 -0.349 13.591 1.00 0.00 C ATOM 797 CD1 LEU A 52 64.180 0.669 12.741 1.00 0.00 C ATOM 798 CD2 LEU A 52 64.493 -1.768 13.218 1.00 0.00 C ATOM 0 H LEU A 52 66.518 0.504 15.701 1.00 0.00 H new ATOM 0 HA LEU A 52 66.978 -1.964 14.424 1.00 0.00 H new ATOM 0 HB2 LEU A 52 66.732 0.869 13.327 1.00 0.00 H new ATOM 0 HB3 LEU A 52 66.712 -0.577 12.337 1.00 0.00 H new ATOM 0 HG LEU A 52 64.776 -0.178 14.651 1.00 0.00 H new ATOM 0 HD11 LEU A 52 63.112 0.556 12.928 1.00 0.00 H new ATOM 0 HD12 LEU A 52 64.490 1.679 13.008 1.00 0.00 H new ATOM 0 HD13 LEU A 52 64.384 0.494 11.685 1.00 0.00 H new ATOM 0 HD21 LEU A 52 63.424 -1.861 13.411 1.00 0.00 H new ATOM 0 HD22 LEU A 52 64.688 -1.949 12.161 1.00 0.00 H new ATOM 0 HD23 LEU A 52 65.035 -2.499 13.817 1.00 0.00 H new ATOM 810 N LEU A 53 69.383 0.300 14.364 1.00 0.00 N ATOM 811 CA LEU A 53 70.794 0.518 14.088 1.00 0.00 C ATOM 812 C LEU A 53 71.630 -0.534 14.813 1.00 0.00 C ATOM 813 O LEU A 53 72.669 -0.970 14.321 1.00 0.00 O ATOM 814 CB LEU A 53 71.193 1.919 14.567 1.00 0.00 C ATOM 815 CG LEU A 53 72.271 2.518 13.650 1.00 0.00 C ATOM 816 CD1 LEU A 53 73.459 1.556 13.551 1.00 0.00 C ATOM 817 CD2 LEU A 53 71.691 2.772 12.249 1.00 0.00 C ATOM 0 H LEU A 53 68.918 1.075 14.836 1.00 0.00 H new ATOM 0 HA LEU A 53 70.972 0.436 13.016 1.00 0.00 H new ATOM 0 HB2 LEU A 53 70.317 2.568 14.580 1.00 0.00 H new ATOM 0 HB3 LEU A 53 71.566 1.867 15.590 1.00 0.00 H new ATOM 0 HG LEU A 53 72.608 3.465 14.071 1.00 0.00 H new ATOM 0 HD11 LEU A 53 74.221 1.985 12.900 1.00 0.00 H new ATOM 0 HD12 LEU A 53 73.879 1.394 14.543 1.00 0.00 H new ATOM 0 HD13 LEU A 53 73.123 0.604 13.139 1.00 0.00 H new ATOM 0 HD21 LEU A 53 72.463 3.196 11.607 1.00 0.00 H new ATOM 0 HD22 LEU A 53 71.342 1.831 11.824 1.00 0.00 H new ATOM 0 HD23 LEU A 53 70.856 3.469 12.322 1.00 0.00 H new ATOM 829 N MET A 54 71.161 -0.928 15.992 1.00 0.00 N ATOM 830 CA MET A 54 71.863 -1.924 16.798 1.00 0.00 C ATOM 831 C MET A 54 72.017 -3.239 16.038 1.00 0.00 C ATOM 832 O MET A 54 73.127 -3.743 15.872 1.00 0.00 O ATOM 833 CB MET A 54 71.089 -2.182 18.098 1.00 0.00 C ATOM 834 CG MET A 54 71.983 -2.924 19.108 1.00 0.00 C ATOM 835 SD MET A 54 72.088 -1.969 20.644 1.00 0.00 S ATOM 836 CE MET A 54 73.607 -1.068 20.252 1.00 0.00 C ATOM 0 H MET A 54 70.301 -0.575 16.411 1.00 0.00 H new ATOM 0 HA MET A 54 72.855 -1.534 17.025 1.00 0.00 H new ATOM 0 HB2 MET A 54 70.753 -1.237 18.524 1.00 0.00 H new ATOM 0 HB3 MET A 54 70.197 -2.772 17.888 1.00 0.00 H new ATOM 0 HG2 MET A 54 71.575 -3.914 19.311 1.00 0.00 H new ATOM 0 HG3 MET A 54 72.979 -3.069 18.689 1.00 0.00 H new ATOM 0 HE1 MET A 54 73.862 -0.407 21.080 1.00 0.00 H new ATOM 0 HE2 MET A 54 74.419 -1.777 20.091 1.00 0.00 H new ATOM 0 HE3 MET A 54 73.457 -0.477 19.349 1.00 0.00 H new ATOM 846 N LEU A 55 70.895 -3.795 15.591 1.00 0.00 N ATOM 847 CA LEU A 55 70.920 -5.062 14.865 1.00 0.00 C ATOM 848 C LEU A 55 71.577 -4.904 13.498 1.00 0.00 C ATOM 849 O LEU A 55 71.859 -5.889 12.821 1.00 0.00 O ATOM 850 CB LEU A 55 69.503 -5.624 14.715 1.00 0.00 C ATOM 851 CG LEU A 55 68.563 -4.566 14.130 1.00 0.00 C ATOM 852 CD1 LEU A 55 68.832 -4.397 12.629 1.00 0.00 C ATOM 853 CD2 LEU A 55 67.115 -5.016 14.345 1.00 0.00 C ATOM 0 H LEU A 55 69.966 -3.394 15.716 1.00 0.00 H new ATOM 0 HA LEU A 55 71.516 -5.767 15.445 1.00 0.00 H new ATOM 0 HB2 LEU A 55 69.520 -6.501 14.068 1.00 0.00 H new ATOM 0 HB3 LEU A 55 69.131 -5.952 15.686 1.00 0.00 H new ATOM 0 HG LEU A 55 68.734 -3.611 14.628 1.00 0.00 H new ATOM 0 HD11 LEU A 55 68.159 -3.643 12.221 1.00 0.00 H new ATOM 0 HD12 LEU A 55 69.864 -4.082 12.478 1.00 0.00 H new ATOM 0 HD13 LEU A 55 68.664 -5.346 12.120 1.00 0.00 H new ATOM 0 HD21 LEU A 55 66.437 -4.269 13.932 1.00 0.00 H new ATOM 0 HD22 LEU A 55 66.952 -5.970 13.844 1.00 0.00 H new ATOM 0 HD23 LEU A 55 66.924 -5.129 15.412 1.00 0.00 H new ATOM 865 N ASP A 56 71.826 -3.663 13.101 1.00 0.00 N ATOM 866 CA ASP A 56 72.461 -3.391 11.819 1.00 0.00 C ATOM 867 C ASP A 56 73.665 -4.296 11.662 1.00 0.00 C ATOM 868 O ASP A 56 73.920 -4.834 10.585 1.00 0.00 O ATOM 869 CB ASP A 56 72.906 -1.930 11.743 1.00 0.00 C ATOM 870 CG ASP A 56 73.363 -1.597 10.328 1.00 0.00 C ATOM 871 OD1 ASP A 56 73.606 -2.523 9.571 1.00 0.00 O ATOM 872 OD2 ASP A 56 73.465 -0.421 10.020 1.00 0.00 O ATOM 0 H ASP A 56 71.599 -2.832 13.646 1.00 0.00 H new ATOM 0 HA ASP A 56 71.745 -3.579 11.019 1.00 0.00 H new ATOM 0 HB2 ASP A 56 72.084 -1.275 12.032 1.00 0.00 H new ATOM 0 HB3 ASP A 56 73.718 -1.752 12.448 1.00 0.00 H new ATOM 877 N SER A 57 74.387 -4.483 12.760 1.00 0.00 N ATOM 878 CA SER A 57 75.543 -5.353 12.745 1.00 0.00 C ATOM 879 C SER A 57 75.104 -6.727 12.274 1.00 0.00 C ATOM 880 O SER A 57 75.928 -7.603 12.022 1.00 0.00 O ATOM 881 CB SER A 57 76.154 -5.451 14.143 1.00 0.00 C ATOM 882 OG SER A 57 77.398 -6.134 14.065 1.00 0.00 O ATOM 0 H SER A 57 74.191 -4.046 13.661 1.00 0.00 H new ATOM 0 HA SER A 57 76.298 -4.949 12.071 1.00 0.00 H new ATOM 0 HB2 SER A 57 76.299 -4.454 14.560 1.00 0.00 H new ATOM 0 HB3 SER A 57 75.476 -5.981 14.812 1.00 0.00 H new ATOM 0 HG SER A 57 77.376 -6.771 13.320 1.00 0.00 H new ATOM 888 N ALA A 58 73.784 -6.896 12.156 1.00 0.00 N ATOM 889 CA ALA A 58 73.222 -8.170 11.703 1.00 0.00 C ATOM 890 C ALA A 58 74.056 -8.738 10.554 1.00 0.00 C ATOM 891 O ALA A 58 75.152 -9.256 10.761 1.00 0.00 O ATOM 892 CB ALA A 58 71.778 -7.971 11.231 1.00 0.00 C ATOM 0 H ALA A 58 73.092 -6.176 12.365 1.00 0.00 H new ATOM 0 HA ALA A 58 73.237 -8.870 12.538 1.00 0.00 H new ATOM 0 HB1 ALA A 58 71.370 -8.925 10.896 1.00 0.00 H new ATOM 0 HB2 ALA A 58 71.176 -7.587 12.054 1.00 0.00 H new ATOM 0 HB3 ALA A 58 71.760 -7.259 10.406 1.00 0.00 H new ATOM 898 N LYS A 59 73.535 -8.617 9.339 1.00 0.00 N ATOM 899 CA LYS A 59 74.237 -9.098 8.162 1.00 0.00 C ATOM 900 C LYS A 59 74.582 -10.583 8.282 1.00 0.00 C ATOM 901 O LYS A 59 75.749 -10.946 8.428 1.00 0.00 O ATOM 902 CB LYS A 59 75.516 -8.283 7.968 1.00 0.00 C ATOM 903 CG LYS A 59 75.205 -6.997 7.196 1.00 0.00 C ATOM 904 CD LYS A 59 76.512 -6.273 6.858 1.00 0.00 C ATOM 905 CE LYS A 59 77.247 -5.900 8.148 1.00 0.00 C ATOM 906 NZ LYS A 59 78.085 -7.050 8.591 1.00 0.00 N ATOM 0 H LYS A 59 72.629 -8.190 9.146 1.00 0.00 H new ATOM 0 HA LYS A 59 73.582 -8.977 7.299 1.00 0.00 H new ATOM 0 HB2 LYS A 59 75.952 -8.039 8.937 1.00 0.00 H new ATOM 0 HB3 LYS A 59 76.254 -8.873 7.425 1.00 0.00 H new ATOM 0 HG2 LYS A 59 74.661 -7.232 6.281 1.00 0.00 H new ATOM 0 HG3 LYS A 59 74.562 -6.349 7.792 1.00 0.00 H new ATOM 0 HD2 LYS A 59 77.143 -6.912 6.241 1.00 0.00 H new ATOM 0 HD3 LYS A 59 76.301 -5.376 6.276 1.00 0.00 H new ATOM 0 HE2 LYS A 59 77.872 -5.023 7.983 1.00 0.00 H new ATOM 0 HE3 LYS A 59 76.529 -5.638 8.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 77.698 -7.442 9.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 78.083 -7.785 7.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 79.060 -6.727 8.755 1.00 0.00 H new ATOM 920 N GLY A 60 73.563 -11.440 8.199 1.00 0.00 N ATOM 921 CA GLY A 60 73.780 -12.886 8.279 1.00 0.00 C ATOM 922 C GLY A 60 73.276 -13.464 9.598 1.00 0.00 C ATOM 923 O GLY A 60 73.032 -14.667 9.703 1.00 0.00 O ATOM 0 H GLY A 60 72.589 -11.162 8.078 1.00 0.00 H new ATOM 0 HA2 GLY A 60 73.270 -13.376 7.449 1.00 0.00 H new ATOM 0 HA3 GLY A 60 74.843 -13.100 8.171 1.00 0.00 H new ATOM 927 N ARG A 61 73.121 -12.608 10.598 1.00 0.00 N ATOM 928 CA ARG A 61 72.647 -13.047 11.899 1.00 0.00 C ATOM 929 C ARG A 61 71.164 -13.372 11.832 1.00 0.00 C ATOM 930 O ARG A 61 70.511 -13.098 10.829 1.00 0.00 O ATOM 931 CB ARG A 61 72.902 -11.939 12.920 1.00 0.00 C ATOM 932 CG ARG A 61 74.374 -11.526 12.830 1.00 0.00 C ATOM 933 CD ARG A 61 74.784 -10.700 14.059 1.00 0.00 C ATOM 934 NE ARG A 61 75.964 -11.281 14.710 1.00 0.00 N ATOM 935 CZ ARG A 61 76.069 -12.586 14.964 1.00 0.00 C ATOM 936 NH1 ARG A 61 77.166 -13.057 15.492 1.00 0.00 N ATOM 937 NH2 ARG A 61 75.073 -13.390 14.710 1.00 0.00 N ATOM 0 H ARG A 61 73.316 -11.609 10.532 1.00 0.00 H new ATOM 0 HA ARG A 61 73.182 -13.948 12.200 1.00 0.00 H new ATOM 0 HB2 ARG A 61 72.256 -11.084 12.721 1.00 0.00 H new ATOM 0 HB3 ARG A 61 72.667 -12.289 13.925 1.00 0.00 H new ATOM 0 HG2 ARG A 61 75.002 -12.414 12.757 1.00 0.00 H new ATOM 0 HG3 ARG A 61 74.538 -10.944 11.923 1.00 0.00 H new ATOM 0 HD2 ARG A 61 74.998 -9.674 13.758 1.00 0.00 H new ATOM 0 HD3 ARG A 61 73.956 -10.659 14.767 1.00 0.00 H new ATOM 0 HE ARG A 61 76.731 -10.665 14.978 1.00 0.00 H new ATOM 0 HH11 ARG A 61 77.939 -12.428 15.709 1.00 0.00 H new ATOM 0 HH12 ARG A 61 77.250 -14.054 15.688 1.00 0.00 H new ATOM 0 HH21 ARG A 61 74.208 -13.021 14.315 1.00 0.00 H new ATOM 0 HH22 ARG A 61 75.160 -14.387 14.907 1.00 0.00 H new ATOM 951 N GLN A 62 70.633 -13.954 12.899 1.00 0.00 N ATOM 952 CA GLN A 62 69.216 -14.299 12.932 1.00 0.00 C ATOM 953 C GLN A 62 68.464 -13.314 13.794 1.00 0.00 C ATOM 954 O GLN A 62 68.880 -12.995 14.907 1.00 0.00 O ATOM 955 CB GLN A 62 69.009 -15.715 13.476 1.00 0.00 C ATOM 956 CG GLN A 62 70.146 -16.603 12.989 1.00 0.00 C ATOM 957 CD GLN A 62 69.757 -18.073 13.112 1.00 0.00 C ATOM 958 OE1 GLN A 62 70.410 -18.939 12.530 1.00 0.00 O ATOM 959 NE2 GLN A 62 68.726 -18.406 13.839 1.00 0.00 N ATOM 0 H GLN A 62 71.153 -14.195 13.743 1.00 0.00 H new ATOM 0 HA GLN A 62 68.834 -14.258 11.912 1.00 0.00 H new ATOM 0 HB2 GLN A 62 68.983 -15.700 14.566 1.00 0.00 H new ATOM 0 HB3 GLN A 62 68.051 -16.111 13.140 1.00 0.00 H new ATOM 0 HG2 GLN A 62 70.382 -16.367 11.951 1.00 0.00 H new ATOM 0 HG3 GLN A 62 71.045 -16.407 13.573 1.00 0.00 H new ATOM 0 HE21 GLN A 62 68.187 -17.686 14.320 1.00 0.00 H new ATOM 0 HE22 GLN A 62 68.459 -19.387 13.926 1.00 0.00 H new ATOM 968 N ILE A 63 67.351 -12.839 13.272 1.00 0.00 N ATOM 969 CA ILE A 63 66.534 -11.892 13.987 1.00 0.00 C ATOM 970 C ILE A 63 65.320 -12.588 14.546 1.00 0.00 C ATOM 971 O ILE A 63 64.820 -13.543 13.964 1.00 0.00 O ATOM 972 CB ILE A 63 66.089 -10.793 13.041 1.00 0.00 C ATOM 973 CG1 ILE A 63 65.502 -9.627 13.835 1.00 0.00 C ATOM 974 CG2 ILE A 63 65.028 -11.348 12.090 1.00 0.00 C ATOM 975 CD1 ILE A 63 66.619 -8.650 14.203 1.00 0.00 C ATOM 0 H ILE A 63 66.995 -13.097 12.352 1.00 0.00 H new ATOM 0 HA ILE A 63 67.114 -11.462 14.804 1.00 0.00 H new ATOM 0 HB ILE A 63 66.947 -10.438 12.471 1.00 0.00 H new ATOM 0 HG12 ILE A 63 64.739 -9.119 13.246 1.00 0.00 H new ATOM 0 HG13 ILE A 63 65.015 -9.996 14.737 1.00 0.00 H new ATOM 0 HG21 ILE A 63 64.704 -10.562 11.408 1.00 0.00 H new ATOM 0 HG22 ILE A 63 65.449 -12.175 11.518 1.00 0.00 H new ATOM 0 HG23 ILE A 63 64.173 -11.703 12.666 1.00 0.00 H new ATOM 0 HD11 ILE A 63 66.202 -7.817 14.770 1.00 0.00 H new ATOM 0 HD12 ILE A 63 67.366 -9.163 14.809 1.00 0.00 H new ATOM 0 HD13 ILE A 63 67.086 -8.272 13.294 1.00 0.00 H new ATOM 987 N GLU A 64 64.844 -12.079 15.660 1.00 0.00 N ATOM 988 CA GLU A 64 63.664 -12.628 16.302 1.00 0.00 C ATOM 989 C GLU A 64 62.598 -11.553 16.332 1.00 0.00 C ATOM 990 O GLU A 64 62.701 -10.570 17.066 1.00 0.00 O ATOM 991 CB GLU A 64 64.010 -13.120 17.715 1.00 0.00 C ATOM 992 CG GLU A 64 63.670 -14.605 17.858 1.00 0.00 C ATOM 993 CD GLU A 64 62.157 -14.797 17.882 1.00 0.00 C ATOM 994 OE1 GLU A 64 61.677 -15.451 18.794 1.00 0.00 O ATOM 995 OE2 GLU A 64 61.500 -14.289 16.989 1.00 0.00 O ATOM 0 H GLU A 64 65.256 -11.282 16.145 1.00 0.00 H new ATOM 0 HA GLU A 64 63.290 -13.487 15.745 1.00 0.00 H new ATOM 0 HB2 GLU A 64 65.070 -12.962 17.913 1.00 0.00 H new ATOM 0 HB3 GLU A 64 63.458 -12.541 18.455 1.00 0.00 H new ATOM 0 HG2 GLU A 64 64.102 -15.166 17.030 1.00 0.00 H new ATOM 0 HG3 GLU A 64 64.109 -15.000 18.774 1.00 0.00 H new ATOM 1002 N VAL A 65 61.592 -11.725 15.491 1.00 0.00 N ATOM 1003 CA VAL A 65 60.534 -10.750 15.394 1.00 0.00 C ATOM 1004 C VAL A 65 59.413 -11.069 16.353 1.00 0.00 C ATOM 1005 O VAL A 65 59.052 -12.229 16.503 1.00 0.00 O ATOM 1006 CB VAL A 65 59.980 -10.781 13.972 1.00 0.00 C ATOM 1007 CG1 VAL A 65 59.189 -12.074 13.750 1.00 0.00 C ATOM 1008 CG2 VAL A 65 59.065 -9.578 13.770 1.00 0.00 C ATOM 0 H VAL A 65 61.491 -12.529 14.871 1.00 0.00 H new ATOM 0 HA VAL A 65 60.936 -9.768 15.642 1.00 0.00 H new ATOM 0 HB VAL A 65 60.803 -10.743 13.258 1.00 0.00 H new ATOM 0 HG11 VAL A 65 58.796 -12.090 12.733 1.00 0.00 H new ATOM 0 HG12 VAL A 65 59.845 -12.932 13.899 1.00 0.00 H new ATOM 0 HG13 VAL A 65 58.363 -12.121 14.459 1.00 0.00 H new ATOM 0 HG21 VAL A 65 58.664 -9.592 12.756 1.00 0.00 H new ATOM 0 HG22 VAL A 65 58.244 -9.621 14.485 1.00 0.00 H new ATOM 0 HG23 VAL A 65 59.632 -8.660 13.924 1.00 0.00 H new ATOM 1018 N GLU A 66 58.832 -10.047 16.976 1.00 0.00 N ATOM 1019 CA GLU A 66 57.703 -10.302 17.860 1.00 0.00 C ATOM 1020 C GLU A 66 56.664 -9.180 17.781 1.00 0.00 C ATOM 1021 O GLU A 66 56.938 -8.062 18.204 1.00 0.00 O ATOM 1022 CB GLU A 66 58.155 -10.452 19.311 1.00 0.00 C ATOM 1023 CG GLU A 66 56.915 -10.497 20.212 1.00 0.00 C ATOM 1024 CD GLU A 66 57.276 -11.077 21.576 1.00 0.00 C ATOM 1025 OE1 GLU A 66 56.702 -10.635 22.557 1.00 0.00 O ATOM 1026 OE2 GLU A 66 58.122 -11.956 21.619 1.00 0.00 O ATOM 0 H GLU A 66 59.112 -9.070 16.890 1.00 0.00 H new ATOM 0 HA GLU A 66 57.251 -11.235 17.524 1.00 0.00 H new ATOM 0 HB2 GLU A 66 58.742 -11.362 19.431 1.00 0.00 H new ATOM 0 HB3 GLU A 66 58.798 -9.618 19.594 1.00 0.00 H new ATOM 0 HG2 GLU A 66 56.507 -9.493 20.332 1.00 0.00 H new ATOM 0 HG3 GLU A 66 56.139 -11.103 19.745 1.00 0.00 H new ATOM 1033 N ALA A 67 55.465 -9.494 17.266 1.00 0.00 N ATOM 1034 CA ALA A 67 54.387 -8.511 17.157 1.00 0.00 C ATOM 1035 C ALA A 67 53.223 -8.892 18.060 1.00 0.00 C ATOM 1036 O ALA A 67 52.993 -10.073 18.316 1.00 0.00 O ATOM 1037 CB ALA A 67 53.939 -8.424 15.703 1.00 0.00 C ATOM 0 H ALA A 67 55.222 -10.422 16.920 1.00 0.00 H new ATOM 0 HA ALA A 67 54.750 -7.535 17.480 1.00 0.00 H new ATOM 0 HB1 ALA A 67 53.135 -7.693 15.613 1.00 0.00 H new ATOM 0 HB2 ALA A 67 54.780 -8.117 15.081 1.00 0.00 H new ATOM 0 HB3 ALA A 67 53.581 -9.399 15.374 1.00 0.00 H new ATOM 1043 N THR A 68 52.503 -7.888 18.575 1.00 0.00 N ATOM 1044 CA THR A 68 51.394 -8.168 19.467 1.00 0.00 C ATOM 1045 C THR A 68 50.328 -7.070 19.433 1.00 0.00 C ATOM 1046 O THR A 68 50.483 -6.017 20.051 1.00 0.00 O ATOM 1047 CB THR A 68 51.928 -8.288 20.891 1.00 0.00 C ATOM 1048 OG1 THR A 68 52.983 -9.237 20.924 1.00 0.00 O ATOM 1049 CG2 THR A 68 50.802 -8.731 21.816 1.00 0.00 C ATOM 0 H THR A 68 52.670 -6.899 18.389 1.00 0.00 H new ATOM 0 HA THR A 68 50.927 -9.096 19.136 1.00 0.00 H new ATOM 0 HB THR A 68 52.308 -7.322 21.223 1.00 0.00 H new ATOM 0 HG1 THR A 68 53.251 -9.396 21.853 1.00 0.00 H new ATOM 0 HG21 THR A 68 51.181 -8.818 22.834 1.00 0.00 H new ATOM 0 HG22 THR A 68 49.998 -7.995 21.789 1.00 0.00 H new ATOM 0 HG23 THR A 68 50.420 -9.698 21.487 1.00 0.00 H new ATOM 1057 N GLY A 69 49.237 -7.346 18.731 1.00 0.00 N ATOM 1058 CA GLY A 69 48.121 -6.408 18.636 1.00 0.00 C ATOM 1059 C GLY A 69 47.111 -6.870 17.590 1.00 0.00 C ATOM 1060 O GLY A 69 47.302 -7.884 16.929 1.00 0.00 O ATOM 0 H GLY A 69 49.099 -8.215 18.216 1.00 0.00 H new ATOM 0 HA2 GLY A 69 47.632 -6.319 19.606 1.00 0.00 H new ATOM 0 HA3 GLY A 69 48.494 -5.418 18.375 1.00 0.00 H new ATOM 1064 N PRO A 70 46.044 -6.151 17.430 1.00 0.00 N ATOM 1065 CA PRO A 70 44.986 -6.492 16.441 1.00 0.00 C ATOM 1066 C PRO A 70 45.534 -7.019 15.120 1.00 0.00 C ATOM 1067 O PRO A 70 45.063 -8.033 14.604 1.00 0.00 O ATOM 1068 CB PRO A 70 44.290 -5.157 16.236 1.00 0.00 C ATOM 1069 CG PRO A 70 44.364 -4.499 17.572 1.00 0.00 C ATOM 1070 CD PRO A 70 45.707 -4.926 18.177 1.00 0.00 C ATOM 0 HA PRO A 70 44.340 -7.295 16.796 1.00 0.00 H new ATOM 0 HB2 PRO A 70 44.787 -4.562 15.470 1.00 0.00 H new ATOM 0 HB3 PRO A 70 43.257 -5.291 15.914 1.00 0.00 H new ATOM 0 HG2 PRO A 70 44.305 -3.415 17.477 1.00 0.00 H new ATOM 0 HG3 PRO A 70 43.534 -4.809 18.207 1.00 0.00 H new ATOM 0 HD2 PRO A 70 46.468 -4.156 18.050 1.00 0.00 H new ATOM 0 HD3 PRO A 70 45.623 -5.118 19.247 1.00 0.00 H new ATOM 1078 N GLN A 71 46.504 -6.306 14.560 1.00 0.00 N ATOM 1079 CA GLN A 71 47.077 -6.700 13.265 1.00 0.00 C ATOM 1080 C GLN A 71 48.602 -6.874 13.320 1.00 0.00 C ATOM 1081 O GLN A 71 49.331 -6.346 12.484 1.00 0.00 O ATOM 1082 CB GLN A 71 46.705 -5.650 12.214 1.00 0.00 C ATOM 1083 CG GLN A 71 45.251 -5.852 11.774 1.00 0.00 C ATOM 1084 CD GLN A 71 44.705 -4.563 11.169 1.00 0.00 C ATOM 1085 OE1 GLN A 71 44.157 -4.576 10.067 1.00 0.00 O ATOM 1086 NE2 GLN A 71 44.825 -3.442 11.828 1.00 0.00 N ATOM 0 H GLN A 71 46.910 -5.464 14.969 1.00 0.00 H new ATOM 0 HA GLN A 71 46.661 -7.671 12.998 1.00 0.00 H new ATOM 0 HB2 GLN A 71 46.835 -4.649 12.624 1.00 0.00 H new ATOM 0 HB3 GLN A 71 47.370 -5.731 11.354 1.00 0.00 H new ATOM 0 HG2 GLN A 71 45.192 -6.659 11.044 1.00 0.00 H new ATOM 0 HG3 GLN A 71 44.642 -6.149 12.628 1.00 0.00 H new ATOM 0 HE21 GLN A 71 45.279 -3.433 12.741 1.00 0.00 H new ATOM 0 HE22 GLN A 71 44.464 -2.575 11.430 1.00 0.00 H new ATOM 1095 N GLU A 72 49.066 -7.631 14.301 1.00 0.00 N ATOM 1096 CA GLU A 72 50.494 -7.903 14.472 1.00 0.00 C ATOM 1097 C GLU A 72 51.018 -8.845 13.413 1.00 0.00 C ATOM 1098 O GLU A 72 52.150 -8.715 12.955 1.00 0.00 O ATOM 1099 CB GLU A 72 50.708 -8.550 15.849 1.00 0.00 C ATOM 1100 CG GLU A 72 49.452 -9.327 16.238 1.00 0.00 C ATOM 1101 CD GLU A 72 49.782 -10.413 17.254 1.00 0.00 C ATOM 1102 OE1 GLU A 72 48.854 -11.010 17.776 1.00 0.00 O ATOM 1103 OE2 GLU A 72 50.953 -10.634 17.495 1.00 0.00 O ATOM 0 H GLU A 72 48.471 -8.075 15.001 1.00 0.00 H new ATOM 0 HA GLU A 72 51.032 -6.959 14.386 1.00 0.00 H new ATOM 0 HB2 GLU A 72 51.569 -9.218 15.821 1.00 0.00 H new ATOM 0 HB3 GLU A 72 50.922 -7.784 16.595 1.00 0.00 H new ATOM 0 HG2 GLU A 72 48.711 -8.645 16.655 1.00 0.00 H new ATOM 0 HG3 GLU A 72 49.007 -9.776 15.350 1.00 0.00 H new ATOM 1110 N GLU A 73 50.206 -9.804 13.054 1.00 0.00 N ATOM 1111 CA GLU A 73 50.612 -10.788 12.078 1.00 0.00 C ATOM 1112 C GLU A 73 51.001 -10.134 10.770 1.00 0.00 C ATOM 1113 O GLU A 73 52.127 -10.284 10.319 1.00 0.00 O ATOM 1114 CB GLU A 73 49.482 -11.795 11.843 1.00 0.00 C ATOM 1115 CG GLU A 73 49.362 -12.729 13.059 1.00 0.00 C ATOM 1116 CD GLU A 73 49.565 -14.181 12.634 1.00 0.00 C ATOM 1117 OE1 GLU A 73 48.763 -15.011 13.030 1.00 0.00 O ATOM 1118 OE2 GLU A 73 50.518 -14.441 11.918 1.00 0.00 O ATOM 0 H GLU A 73 49.262 -9.927 13.420 1.00 0.00 H new ATOM 0 HA GLU A 73 51.485 -11.311 12.470 1.00 0.00 H new ATOM 0 HB2 GLU A 73 48.541 -11.270 11.681 1.00 0.00 H new ATOM 0 HB3 GLU A 73 49.681 -12.377 10.943 1.00 0.00 H new ATOM 0 HG2 GLU A 73 50.103 -12.456 13.810 1.00 0.00 H new ATOM 0 HG3 GLU A 73 48.382 -12.612 13.521 1.00 0.00 H new ATOM 1125 N GLU A 74 50.079 -9.406 10.164 1.00 0.00 N ATOM 1126 CA GLU A 74 50.384 -8.758 8.898 1.00 0.00 C ATOM 1127 C GLU A 74 51.616 -7.865 9.049 1.00 0.00 C ATOM 1128 O GLU A 74 52.487 -7.836 8.179 1.00 0.00 O ATOM 1129 CB GLU A 74 49.173 -7.956 8.404 1.00 0.00 C ATOM 1130 CG GLU A 74 48.497 -7.244 9.580 1.00 0.00 C ATOM 1131 CD GLU A 74 47.387 -8.117 10.156 1.00 0.00 C ATOM 1132 OE1 GLU A 74 47.631 -8.764 11.161 1.00 0.00 O ATOM 1133 OE2 GLU A 74 46.310 -8.128 9.582 1.00 0.00 O ATOM 0 H GLU A 74 49.135 -9.250 10.516 1.00 0.00 H new ATOM 0 HA GLU A 74 50.607 -9.521 8.152 1.00 0.00 H new ATOM 0 HB2 GLU A 74 49.490 -7.225 7.660 1.00 0.00 H new ATOM 0 HB3 GLU A 74 48.462 -8.621 7.914 1.00 0.00 H new ATOM 0 HG2 GLU A 74 49.233 -7.023 10.352 1.00 0.00 H new ATOM 0 HG3 GLU A 74 48.085 -6.290 9.249 1.00 0.00 H new ATOM 1140 N ALA A 75 51.675 -7.142 10.162 1.00 0.00 N ATOM 1141 CA ALA A 75 52.795 -6.239 10.446 1.00 0.00 C ATOM 1142 C ALA A 75 54.098 -7.013 10.497 1.00 0.00 C ATOM 1143 O ALA A 75 55.027 -6.719 9.758 1.00 0.00 O ATOM 1144 CB ALA A 75 52.564 -5.502 11.794 1.00 0.00 C ATOM 0 H ALA A 75 50.959 -7.161 10.888 1.00 0.00 H new ATOM 0 HA ALA A 75 52.855 -5.502 9.645 1.00 0.00 H new ATOM 0 HB1 ALA A 75 53.403 -4.835 11.992 1.00 0.00 H new ATOM 0 HB2 ALA A 75 51.644 -4.921 11.738 1.00 0.00 H new ATOM 0 HB3 ALA A 75 52.483 -6.233 12.599 1.00 0.00 H new ATOM 1150 N LEU A 76 54.143 -8.004 11.369 1.00 0.00 N ATOM 1151 CA LEU A 76 55.322 -8.839 11.535 1.00 0.00 C ATOM 1152 C LEU A 76 55.482 -9.759 10.333 1.00 0.00 C ATOM 1153 O LEU A 76 56.590 -10.147 9.970 1.00 0.00 O ATOM 1154 CB LEU A 76 55.125 -9.628 12.826 1.00 0.00 C ATOM 1155 CG LEU A 76 55.751 -11.021 12.765 1.00 0.00 C ATOM 1156 CD1 LEU A 76 55.855 -11.546 14.199 1.00 0.00 C ATOM 1157 CD2 LEU A 76 54.870 -11.971 11.930 1.00 0.00 C ATOM 0 H LEU A 76 53.366 -8.253 11.981 1.00 0.00 H new ATOM 0 HA LEU A 76 56.232 -8.242 11.598 1.00 0.00 H new ATOM 0 HB2 LEU A 76 55.562 -9.074 13.657 1.00 0.00 H new ATOM 0 HB3 LEU A 76 54.059 -9.722 13.031 1.00 0.00 H new ATOM 0 HG LEU A 76 56.734 -10.969 12.297 1.00 0.00 H new ATOM 0 HD11 LEU A 76 56.299 -12.541 14.191 1.00 0.00 H new ATOM 0 HD12 LEU A 76 56.480 -10.875 14.788 1.00 0.00 H new ATOM 0 HD13 LEU A 76 54.860 -11.596 14.641 1.00 0.00 H new ATOM 0 HD21 LEU A 76 55.330 -12.959 11.897 1.00 0.00 H new ATOM 0 HD22 LEU A 76 53.883 -12.046 12.385 1.00 0.00 H new ATOM 0 HD23 LEU A 76 54.774 -11.581 10.917 1.00 0.00 H new ATOM 1169 N ALA A 77 54.361 -10.089 9.719 1.00 0.00 N ATOM 1170 CA ALA A 77 54.357 -10.952 8.545 1.00 0.00 C ATOM 1171 C ALA A 77 54.780 -10.166 7.309 1.00 0.00 C ATOM 1172 O ALA A 77 55.274 -10.737 6.336 1.00 0.00 O ATOM 1173 CB ALA A 77 52.951 -11.501 8.327 1.00 0.00 C ATOM 0 H ALA A 77 53.437 -9.773 10.013 1.00 0.00 H new ATOM 0 HA ALA A 77 55.059 -11.770 8.707 1.00 0.00 H new ATOM 0 HB1 ALA A 77 52.945 -12.147 7.449 1.00 0.00 H new ATOM 0 HB2 ALA A 77 52.645 -12.074 9.202 1.00 0.00 H new ATOM 0 HB3 ALA A 77 52.257 -10.674 8.174 1.00 0.00 H new ATOM 1179 N ALA A 78 54.583 -8.852 7.357 1.00 0.00 N ATOM 1180 CA ALA A 78 54.948 -7.996 6.235 1.00 0.00 C ATOM 1181 C ALA A 78 56.455 -7.775 6.235 1.00 0.00 C ATOM 1182 O ALA A 78 57.103 -7.754 5.183 1.00 0.00 O ATOM 1183 CB ALA A 78 54.210 -6.654 6.336 1.00 0.00 C ATOM 0 H ALA A 78 54.176 -8.361 8.153 1.00 0.00 H new ATOM 0 HA ALA A 78 54.659 -8.479 5.301 1.00 0.00 H new ATOM 0 HB1 ALA A 78 54.489 -6.021 5.494 1.00 0.00 H new ATOM 0 HB2 ALA A 78 53.134 -6.828 6.318 1.00 0.00 H new ATOM 0 HB3 ALA A 78 54.482 -6.158 7.268 1.00 0.00 H new ATOM 1189 N VAL A 79 57.011 -7.653 7.432 1.00 0.00 N ATOM 1190 CA VAL A 79 58.442 -7.474 7.576 1.00 0.00 C ATOM 1191 C VAL A 79 59.126 -8.748 7.138 1.00 0.00 C ATOM 1192 O VAL A 79 60.122 -8.731 6.427 1.00 0.00 O ATOM 1193 CB VAL A 79 58.790 -7.193 9.044 1.00 0.00 C ATOM 1194 CG1 VAL A 79 57.529 -6.813 9.798 1.00 0.00 C ATOM 1195 CG2 VAL A 79 59.383 -8.449 9.679 1.00 0.00 C ATOM 0 H VAL A 79 56.493 -7.675 8.311 1.00 0.00 H new ATOM 0 HA VAL A 79 58.773 -6.633 6.967 1.00 0.00 H new ATOM 0 HB VAL A 79 59.512 -6.378 9.091 1.00 0.00 H new ATOM 0 HG11 VAL A 79 57.775 -6.613 10.841 1.00 0.00 H new ATOM 0 HG12 VAL A 79 57.093 -5.920 9.351 1.00 0.00 H new ATOM 0 HG13 VAL A 79 56.812 -7.633 9.745 1.00 0.00 H new ATOM 0 HG21 VAL A 79 59.630 -8.248 10.722 1.00 0.00 H new ATOM 0 HG22 VAL A 79 58.657 -9.260 9.628 1.00 0.00 H new ATOM 0 HG23 VAL A 79 60.287 -8.737 9.141 1.00 0.00 H new ATOM 1205 N ILE A 80 58.572 -9.857 7.603 1.00 0.00 N ATOM 1206 CA ILE A 80 59.104 -11.156 7.297 1.00 0.00 C ATOM 1207 C ILE A 80 59.335 -11.274 5.828 1.00 0.00 C ATOM 1208 O ILE A 80 60.463 -11.426 5.390 1.00 0.00 O ATOM 1209 CB ILE A 80 58.131 -12.199 7.812 1.00 0.00 C ATOM 1210 CG1 ILE A 80 58.344 -12.281 9.328 1.00 0.00 C ATOM 1211 CG2 ILE A 80 58.373 -13.555 7.134 1.00 0.00 C ATOM 1212 CD1 ILE A 80 59.133 -13.534 9.690 1.00 0.00 C ATOM 0 H ILE A 80 57.745 -9.872 8.200 1.00 0.00 H new ATOM 0 HA ILE A 80 60.067 -11.310 7.783 1.00 0.00 H new ATOM 0 HB ILE A 80 57.101 -11.926 7.584 1.00 0.00 H new ATOM 0 HG12 ILE A 80 58.877 -11.396 9.675 1.00 0.00 H new ATOM 0 HG13 ILE A 80 57.380 -12.292 9.836 1.00 0.00 H new ATOM 0 HG21 ILE A 80 57.663 -14.287 7.520 1.00 0.00 H new ATOM 0 HG22 ILE A 80 58.239 -13.452 6.057 1.00 0.00 H new ATOM 0 HG23 ILE A 80 59.389 -13.890 7.343 1.00 0.00 H new ATOM 0 HD11 ILE A 80 59.275 -13.575 10.770 1.00 0.00 H new ATOM 0 HD12 ILE A 80 58.584 -14.417 9.362 1.00 0.00 H new ATOM 0 HD13 ILE A 80 60.105 -13.507 9.197 1.00 0.00 H new ATOM 1224 N ALA A 81 58.286 -11.144 5.055 1.00 0.00 N ATOM 1225 CA ALA A 81 58.465 -11.193 3.625 1.00 0.00 C ATOM 1226 C ALA A 81 59.630 -10.298 3.272 1.00 0.00 C ATOM 1227 O ALA A 81 60.285 -10.479 2.246 1.00 0.00 O ATOM 1228 CB ALA A 81 57.228 -10.698 2.907 1.00 0.00 C ATOM 0 H ALA A 81 57.328 -11.008 5.377 1.00 0.00 H new ATOM 0 HA ALA A 81 58.649 -12.223 3.319 1.00 0.00 H new ATOM 0 HB1 ALA A 81 57.389 -10.745 1.830 1.00 0.00 H new ATOM 0 HB2 ALA A 81 56.377 -11.324 3.174 1.00 0.00 H new ATOM 0 HB3 ALA A 81 57.026 -9.667 3.199 1.00 0.00 H new ATOM 1234 N LEU A 82 59.900 -9.336 4.157 1.00 0.00 N ATOM 1235 CA LEU A 82 61.000 -8.438 3.950 1.00 0.00 C ATOM 1236 C LEU A 82 62.226 -9.004 4.639 1.00 0.00 C ATOM 1237 O LEU A 82 63.315 -9.035 4.066 1.00 0.00 O ATOM 1238 CB LEU A 82 60.614 -7.071 4.496 1.00 0.00 C ATOM 1239 CG LEU A 82 60.555 -6.045 3.361 1.00 0.00 C ATOM 1240 CD1 LEU A 82 59.761 -6.616 2.167 1.00 0.00 C ATOM 1241 CD2 LEU A 82 59.859 -4.790 3.880 1.00 0.00 C ATOM 0 H LEU A 82 59.368 -9.173 5.012 1.00 0.00 H new ATOM 0 HA LEU A 82 61.234 -8.326 2.891 1.00 0.00 H new ATOM 0 HB2 LEU A 82 59.646 -7.130 4.993 1.00 0.00 H new ATOM 0 HB3 LEU A 82 61.338 -6.753 5.246 1.00 0.00 H new ATOM 0 HG LEU A 82 61.565 -5.809 3.027 1.00 0.00 H new ATOM 0 HD11 LEU A 82 59.726 -5.877 1.366 1.00 0.00 H new ATOM 0 HD12 LEU A 82 60.249 -7.521 1.805 1.00 0.00 H new ATOM 0 HD13 LEU A 82 58.746 -6.854 2.485 1.00 0.00 H new ATOM 0 HD21 LEU A 82 59.808 -4.047 3.084 1.00 0.00 H new ATOM 0 HD22 LEU A 82 58.850 -5.042 4.207 1.00 0.00 H new ATOM 0 HD23 LEU A 82 60.421 -4.383 4.720 1.00 0.00 H new ATOM 1253 N PHE A 83 62.030 -9.505 5.852 1.00 0.00 N ATOM 1254 CA PHE A 83 63.121 -10.122 6.564 1.00 0.00 C ATOM 1255 C PHE A 83 63.545 -11.325 5.750 1.00 0.00 C ATOM 1256 O PHE A 83 64.719 -11.687 5.678 1.00 0.00 O ATOM 1257 CB PHE A 83 62.696 -10.548 7.959 1.00 0.00 C ATOM 1258 CG PHE A 83 62.658 -9.365 8.903 1.00 0.00 C ATOM 1259 CD1 PHE A 83 62.695 -9.599 10.282 1.00 0.00 C ATOM 1260 CD2 PHE A 83 62.583 -8.044 8.421 1.00 0.00 C ATOM 1261 CE1 PHE A 83 62.661 -8.533 11.174 1.00 0.00 C ATOM 1262 CE2 PHE A 83 62.550 -6.980 9.323 1.00 0.00 C ATOM 1263 CZ PHE A 83 62.590 -7.230 10.695 1.00 0.00 C ATOM 0 H PHE A 83 61.139 -9.493 6.349 1.00 0.00 H new ATOM 0 HA PHE A 83 63.944 -9.418 6.688 1.00 0.00 H new ATOM 0 HB2 PHE A 83 61.712 -11.014 7.916 1.00 0.00 H new ATOM 0 HB3 PHE A 83 63.388 -11.299 8.340 1.00 0.00 H new ATOM 0 HD1 PHE A 83 62.750 -10.611 10.655 1.00 0.00 H new ATOM 0 HD2 PHE A 83 62.551 -7.855 7.358 1.00 0.00 H new ATOM 0 HE1 PHE A 83 62.690 -8.717 12.238 1.00 0.00 H new ATOM 0 HE2 PHE A 83 62.494 -5.965 8.960 1.00 0.00 H new ATOM 0 HZ PHE A 83 62.566 -6.404 11.391 1.00 0.00 H new ATOM 1273 N ASN A 84 62.544 -11.896 5.098 1.00 0.00 N ATOM 1274 CA ASN A 84 62.730 -13.026 4.217 1.00 0.00 C ATOM 1275 C ASN A 84 63.413 -12.527 2.973 1.00 0.00 C ATOM 1276 O ASN A 84 64.068 -13.265 2.237 1.00 0.00 O ATOM 1277 CB ASN A 84 61.361 -13.614 3.855 1.00 0.00 C ATOM 1278 CG ASN A 84 61.439 -15.133 3.746 1.00 0.00 C ATOM 1279 OD1 ASN A 84 62.257 -15.663 2.992 1.00 0.00 O ATOM 1280 ND2 ASN A 84 60.631 -15.869 4.460 1.00 0.00 N ATOM 0 H ASN A 84 61.576 -11.582 5.169 1.00 0.00 H new ATOM 0 HA ASN A 84 63.331 -13.799 4.697 1.00 0.00 H new ATOM 0 HB2 ASN A 84 60.628 -13.336 4.613 1.00 0.00 H new ATOM 0 HB3 ASN A 84 61.017 -13.194 2.910 1.00 0.00 H new ATOM 0 HD21 ASN A 84 60.676 -16.886 4.395 1.00 0.00 H new ATOM 0 HD22 ASN A 84 59.955 -15.427 5.083 1.00 0.00 H new ATOM 1287 N SER A 85 63.232 -11.244 2.775 1.00 0.00 N ATOM 1288 CA SER A 85 63.809 -10.548 1.627 1.00 0.00 C ATOM 1289 C SER A 85 63.132 -9.197 1.422 1.00 0.00 C ATOM 1290 O SER A 85 62.056 -9.177 0.848 1.00 0.00 O ATOM 1291 CB SER A 85 63.648 -11.395 0.363 1.00 0.00 C ATOM 1292 OG SER A 85 63.620 -10.541 -0.773 1.00 0.00 O ATOM 1293 OXT SER A 85 63.701 -8.202 1.841 1.00 0.00 O ATOM 0 H SER A 85 62.685 -10.647 3.395 1.00 0.00 H new ATOM 0 HA SER A 85 64.869 -10.386 1.823 1.00 0.00 H new ATOM 0 HB2 SER A 85 64.471 -12.104 0.279 1.00 0.00 H new ATOM 0 HB3 SER A 85 62.729 -11.978 0.417 1.00 0.00 H new ATOM 0 HG SER A 85 63.518 -11.080 -1.585 1.00 0.00 H new