USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 648 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 56 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 57 MET CE :methyl 152:sc= -2.5 (180deg=-3.49!) USER MOD Set 2.1: A 43 CYS SG : rot 72:sc= 1.45 USER MOD Set 2.2: A 54 SER OG : rot 62:sc= -0.156 USER MOD Set 3.1: A 33 GLN : amide:sc= -0.325 X(o=-0.33,f=-0.8) USER MOD Set 3.2: A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc=-0.00691 USER MOD Single : A 24 GLN : amide:sc= -0.167 K(o=-0.17,f=-0.72) USER MOD Single : A 26 LYS NZ :NH3+ -155:sc= -0.0895 (180deg=-0.504) USER MOD Single : A 30 GLN : amide:sc= -1.12 K(o=-1.1,f=-8.1!) USER MOD Single : A 32 GLN :FLIP amide:sc= -0.643 F(o=-1.7!,f=-0.64) USER MOD Single : A 36 GLN : amide:sc= -0.0124 K(o=-0.012,f=-1.1) USER MOD Single : A 38 THR OG1 : rot -92:sc= -0.656! USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.0613 K(o=-0.061,f=-0.61) USER MOD Single : A 48 ASN :FLIP amide:sc= -0.795 F(o=-1.4!,f=-0.79) USER MOD Single : A 49 ASN : amide:sc= 0.0151 K(o=0.015,f=-2.6!) USER MOD Single : A 50 SER OG : rot -171:sc= -0.141 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 70:sc= 1.08 USER MOD Single : A 64 GLN : amide:sc= 0.541 K(o=0.54,f=-5!) USER MOD Single : A 65 LYS NZ :NH3+ 138:sc= 0.444 (180deg=0.00244) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl -114:sc= -3.28! (180deg=-6.06!) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.06 F(o=-1.1,f=-0.06) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -110:sc= 1.26 (180deg=0.147) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -173:sc= -3.39! (180deg=-3.61!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN :FLIP amide:sc= 0 F(o=-0.82,f=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.0625 USER MOD Single : A 93 TYR OH : rot 54:sc= 1.25 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 19 9.341 -12.451 -6.514 1.00 0.00 N ATOM 2 CA THR A 19 9.832 -11.119 -6.919 1.00 0.00 C ATOM 3 C THR A 19 8.880 -10.480 -7.928 1.00 0.00 C ATOM 4 O THR A 19 8.089 -11.170 -8.571 1.00 0.00 O ATOM 5 CB THR A 19 11.255 -11.211 -7.517 1.00 0.00 C ATOM 6 OG1 THR A 19 11.763 -9.901 -7.805 1.00 0.00 O ATOM 7 CG2 THR A 19 11.264 -12.052 -8.783 1.00 0.00 C ATOM 0 HA THR A 19 9.873 -10.493 -6.028 1.00 0.00 H new ATOM 0 HB THR A 19 11.896 -11.691 -6.777 1.00 0.00 H new ATOM 0 HG1 THR A 19 12.665 -9.975 -8.181 1.00 0.00 H new ATOM 0 HG21 THR A 19 12.278 -12.099 -9.181 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.917 -13.059 -8.553 1.00 0.00 H new ATOM 0 HG23 THR A 19 10.604 -11.601 -9.524 1.00 0.00 H new ATOM 15 N ILE A 20 8.941 -9.160 -8.037 1.00 0.00 N ATOM 16 CA ILE A 20 8.120 -8.424 -8.987 1.00 0.00 C ATOM 17 C ILE A 20 8.830 -7.139 -9.413 1.00 0.00 C ATOM 18 O ILE A 20 8.853 -6.796 -10.597 1.00 0.00 O ATOM 19 CB ILE A 20 6.705 -8.127 -8.397 1.00 0.00 C ATOM 20 CG1 ILE A 20 5.799 -7.401 -9.411 1.00 0.00 C ATOM 21 CG2 ILE A 20 6.804 -7.333 -7.101 1.00 0.00 C ATOM 22 CD1 ILE A 20 5.999 -5.901 -9.490 1.00 0.00 C ATOM 0 H ILE A 20 9.556 -8.573 -7.474 1.00 0.00 H new ATOM 0 HA ILE A 20 7.976 -9.043 -9.873 1.00 0.00 H new ATOM 0 HB ILE A 20 6.245 -9.090 -8.175 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.971 -7.828 -10.399 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.759 -7.601 -9.154 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.803 -7.142 -6.714 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.374 -7.904 -6.367 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.306 -6.385 -7.293 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.317 -5.482 -10.230 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.797 -5.455 -8.516 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.027 -5.686 -9.781 1.00 0.00 H new ATOM 34 N ASP A 21 9.440 -6.457 -8.456 1.00 0.00 N ATOM 35 CA ASP A 21 10.071 -5.174 -8.718 1.00 0.00 C ATOM 36 C ASP A 21 11.356 -5.048 -7.895 1.00 0.00 C ATOM 37 O ASP A 21 11.806 -6.025 -7.294 1.00 0.00 O ATOM 38 CB ASP A 21 9.085 -4.037 -8.387 1.00 0.00 C ATOM 39 CG ASP A 21 9.531 -2.673 -8.896 1.00 0.00 C ATOM 40 OD1 ASP A 21 10.440 -2.620 -9.750 1.00 0.00 O ATOM 41 OD2 ASP A 21 8.954 -1.652 -8.465 1.00 0.00 O ATOM 0 H ASP A 21 9.511 -6.772 -7.489 1.00 0.00 H new ATOM 0 HA ASP A 21 10.337 -5.103 -9.773 1.00 0.00 H new ATOM 0 HB2 ASP A 21 8.112 -4.275 -8.817 1.00 0.00 H new ATOM 0 HB3 ASP A 21 8.952 -3.986 -7.306 1.00 0.00 H new ATOM 46 N VAL A 22 11.937 -3.861 -7.868 1.00 0.00 N ATOM 47 CA VAL A 22 13.153 -3.595 -7.107 1.00 0.00 C ATOM 48 C VAL A 22 12.881 -3.594 -5.599 1.00 0.00 C ATOM 49 O VAL A 22 13.807 -3.580 -4.793 1.00 0.00 O ATOM 50 CB VAL A 22 13.746 -2.228 -7.518 1.00 0.00 C ATOM 51 CG1 VAL A 22 12.799 -1.096 -7.138 1.00 0.00 C ATOM 52 CG2 VAL A 22 15.116 -2.012 -6.896 1.00 0.00 C ATOM 0 H VAL A 22 11.580 -3.050 -8.373 1.00 0.00 H new ATOM 0 HA VAL A 22 13.864 -4.391 -7.330 1.00 0.00 H new ATOM 0 HB VAL A 22 13.868 -2.229 -8.601 1.00 0.00 H new ATOM 0 HG11 VAL A 22 13.234 -0.142 -7.436 1.00 0.00 H new ATOM 0 HG12 VAL A 22 11.845 -1.234 -7.646 1.00 0.00 H new ATOM 0 HG13 VAL A 22 12.640 -1.101 -6.060 1.00 0.00 H new ATOM 0 HG21 VAL A 22 15.507 -1.042 -7.204 1.00 0.00 H new ATOM 0 HG22 VAL A 22 15.031 -2.041 -5.810 1.00 0.00 H new ATOM 0 HG23 VAL A 22 15.794 -2.798 -7.228 1.00 0.00 H new ATOM 62 N LEU A 23 11.603 -3.635 -5.243 1.00 0.00 N ATOM 63 CA LEU A 23 11.156 -3.477 -3.858 1.00 0.00 C ATOM 64 C LEU A 23 11.932 -4.374 -2.893 1.00 0.00 C ATOM 65 O LEU A 23 11.761 -5.595 -2.884 1.00 0.00 O ATOM 66 CB LEU A 23 9.659 -3.781 -3.760 1.00 0.00 C ATOM 67 CG LEU A 23 8.793 -3.232 -4.902 1.00 0.00 C ATOM 68 CD1 LEU A 23 7.318 -3.395 -4.580 1.00 0.00 C ATOM 69 CD2 LEU A 23 9.121 -1.775 -5.194 1.00 0.00 C ATOM 0 H LEU A 23 10.842 -3.779 -5.907 1.00 0.00 H new ATOM 0 HA LEU A 23 11.347 -2.444 -3.568 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.528 -4.862 -3.717 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.286 -3.377 -2.819 1.00 0.00 H new ATOM 0 HG LEU A 23 9.018 -3.810 -5.799 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.720 -3.000 -5.402 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.090 -4.452 -4.441 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.083 -2.850 -3.666 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.491 -1.416 -6.008 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.939 -1.175 -4.302 1.00 0.00 H new ATOM 0 HD23 LEU A 23 10.169 -1.689 -5.482 1.00 0.00 H new ATOM 81 N GLN A 24 12.797 -3.756 -2.096 1.00 0.00 N ATOM 82 CA GLN A 24 13.608 -4.477 -1.129 1.00 0.00 C ATOM 83 C GLN A 24 13.181 -4.159 0.294 1.00 0.00 C ATOM 84 O GLN A 24 12.706 -3.063 0.581 1.00 0.00 O ATOM 85 CB GLN A 24 15.086 -4.131 -1.307 1.00 0.00 C ATOM 86 CG GLN A 24 15.661 -4.592 -2.631 1.00 0.00 C ATOM 87 CD GLN A 24 15.605 -6.096 -2.793 1.00 0.00 C ATOM 88 OE1 GLN A 24 15.696 -6.845 -1.817 1.00 0.00 O ATOM 89 NE2 GLN A 24 15.449 -6.551 -4.026 1.00 0.00 N ATOM 0 H GLN A 24 12.953 -2.748 -2.104 1.00 0.00 H new ATOM 0 HA GLN A 24 13.462 -5.543 -1.306 1.00 0.00 H new ATOM 0 HB2 GLN A 24 15.211 -3.051 -1.222 1.00 0.00 H new ATOM 0 HB3 GLN A 24 15.657 -4.582 -0.495 1.00 0.00 H new ATOM 0 HG2 GLN A 24 15.112 -4.121 -3.446 1.00 0.00 H new ATOM 0 HG3 GLN A 24 16.696 -4.259 -2.710 1.00 0.00 H new ATOM 0 HE21 GLN A 24 15.378 -5.897 -4.806 1.00 0.00 H new ATOM 0 HE22 GLN A 24 15.400 -7.555 -4.197 1.00 0.00 H new ATOM 98 N PHE A 25 13.350 -5.135 1.172 1.00 0.00 N ATOM 99 CA PHE A 25 13.060 -4.969 2.587 1.00 0.00 C ATOM 100 C PHE A 25 14.230 -5.480 3.400 1.00 0.00 C ATOM 101 O PHE A 25 14.656 -6.627 3.259 1.00 0.00 O ATOM 102 CB PHE A 25 11.775 -5.711 2.971 1.00 0.00 C ATOM 103 CG PHE A 25 10.588 -5.289 2.151 1.00 0.00 C ATOM 104 CD1 PHE A 25 9.970 -4.070 2.378 1.00 0.00 C ATOM 105 CD2 PHE A 25 10.077 -6.122 1.167 1.00 0.00 C ATOM 106 CE1 PHE A 25 8.867 -3.689 1.638 1.00 0.00 C ATOM 107 CE2 PHE A 25 8.977 -5.743 0.423 1.00 0.00 C ATOM 108 CZ PHE A 25 8.417 -4.492 0.610 1.00 0.00 C ATOM 0 H PHE A 25 13.692 -6.064 0.924 1.00 0.00 H new ATOM 0 HA PHE A 25 12.908 -3.910 2.797 1.00 0.00 H new ATOM 0 HB2 PHE A 25 11.931 -6.783 2.850 1.00 0.00 H new ATOM 0 HB3 PHE A 25 11.562 -5.536 4.026 1.00 0.00 H new ATOM 0 HD1 PHE A 25 10.355 -3.410 3.142 1.00 0.00 H new ATOM 0 HD2 PHE A 25 10.544 -7.078 0.980 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.358 -2.764 1.864 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.555 -6.422 -0.303 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.632 -4.146 -0.045 1.00 0.00 H new ATOM 118 N LYS A 26 14.749 -4.586 4.229 1.00 0.00 N ATOM 119 CA LYS A 26 15.883 -4.850 5.098 1.00 0.00 C ATOM 120 C LYS A 26 15.694 -6.139 5.880 1.00 0.00 C ATOM 121 O LYS A 26 16.640 -6.893 6.103 1.00 0.00 O ATOM 122 CB LYS A 26 16.061 -3.660 6.050 1.00 0.00 C ATOM 123 CG LYS A 26 16.587 -4.028 7.426 1.00 0.00 C ATOM 124 CD LYS A 26 15.502 -3.868 8.478 1.00 0.00 C ATOM 125 CE LYS A 26 15.464 -2.453 9.032 1.00 0.00 C ATOM 126 NZ LYS A 26 16.703 -2.121 9.790 1.00 0.00 N ATOM 0 H LYS A 26 14.385 -3.637 4.317 1.00 0.00 H new ATOM 0 HA LYS A 26 16.778 -4.974 4.489 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.745 -2.944 5.593 1.00 0.00 H new ATOM 0 HB3 LYS A 26 15.101 -3.156 6.165 1.00 0.00 H new ATOM 0 HG2 LYS A 26 16.945 -5.057 7.420 1.00 0.00 H new ATOM 0 HG3 LYS A 26 17.439 -3.395 7.676 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.534 -4.115 8.043 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.676 -4.573 9.291 1.00 0.00 H new ATOM 0 HE2 LYS A 26 15.339 -1.745 8.213 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.598 -2.341 9.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 16.496 -1.373 10.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.043 -2.969 10.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.435 -1.789 9.130 1.00 0.00 H new ATOM 140 N ASP A 27 14.464 -6.377 6.289 1.00 0.00 N ATOM 141 CA ASP A 27 14.119 -7.558 7.049 1.00 0.00 C ATOM 142 C ASP A 27 12.611 -7.719 6.997 1.00 0.00 C ATOM 143 O ASP A 27 11.943 -6.919 6.334 1.00 0.00 O ATOM 144 CB ASP A 27 14.603 -7.421 8.497 1.00 0.00 C ATOM 145 CG ASP A 27 14.933 -8.756 9.127 1.00 0.00 C ATOM 146 OD1 ASP A 27 14.812 -9.783 8.433 1.00 0.00 O ATOM 147 OD2 ASP A 27 15.335 -8.779 10.310 1.00 0.00 O ATOM 0 H ASP A 27 13.676 -5.756 6.103 1.00 0.00 H new ATOM 0 HA ASP A 27 14.603 -8.438 6.626 1.00 0.00 H new ATOM 0 HB2 ASP A 27 15.486 -6.783 8.522 1.00 0.00 H new ATOM 0 HB3 ASP A 27 13.834 -6.924 9.088 1.00 0.00 H new ATOM 152 N GLU A 28 12.063 -8.711 7.681 1.00 0.00 N ATOM 153 CA GLU A 28 10.617 -8.898 7.680 1.00 0.00 C ATOM 154 C GLU A 28 9.929 -7.655 8.244 1.00 0.00 C ATOM 155 O GLU A 28 8.835 -7.300 7.825 1.00 0.00 O ATOM 156 CB GLU A 28 10.207 -10.154 8.469 1.00 0.00 C ATOM 157 CG GLU A 28 10.257 -10.007 9.988 1.00 0.00 C ATOM 158 CD GLU A 28 11.659 -9.821 10.524 1.00 0.00 C ATOM 159 OE1 GLU A 28 12.324 -10.832 10.820 1.00 0.00 O ATOM 160 OE2 GLU A 28 12.102 -8.660 10.647 1.00 0.00 O ATOM 0 H GLU A 28 12.585 -9.389 8.236 1.00 0.00 H new ATOM 0 HA GLU A 28 10.295 -9.044 6.649 1.00 0.00 H new ATOM 0 HB2 GLU A 28 9.194 -10.432 8.179 1.00 0.00 H new ATOM 0 HB3 GLU A 28 10.859 -10.977 8.177 1.00 0.00 H new ATOM 0 HG2 GLU A 28 9.646 -9.154 10.284 1.00 0.00 H new ATOM 0 HG3 GLU A 28 9.814 -10.891 10.447 1.00 0.00 H new ATOM 167 N ALA A 29 10.609 -6.982 9.170 1.00 0.00 N ATOM 168 CA ALA A 29 10.111 -5.755 9.780 1.00 0.00 C ATOM 169 C ALA A 29 9.849 -4.677 8.738 1.00 0.00 C ATOM 170 O ALA A 29 8.825 -3.997 8.784 1.00 0.00 O ATOM 171 CB ALA A 29 11.100 -5.243 10.813 1.00 0.00 C ATOM 0 H ALA A 29 11.522 -7.274 9.518 1.00 0.00 H new ATOM 0 HA ALA A 29 9.165 -5.990 10.268 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.716 -4.326 11.261 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.238 -5.996 11.589 1.00 0.00 H new ATOM 0 HB3 ALA A 29 12.056 -5.039 10.331 1.00 0.00 H new ATOM 177 N GLN A 30 10.770 -4.523 7.791 1.00 0.00 N ATOM 178 CA GLN A 30 10.608 -3.516 6.750 1.00 0.00 C ATOM 179 C GLN A 30 9.411 -3.885 5.891 1.00 0.00 C ATOM 180 O GLN A 30 8.697 -3.027 5.372 1.00 0.00 O ATOM 181 CB GLN A 30 11.863 -3.400 5.875 1.00 0.00 C ATOM 182 CG GLN A 30 11.982 -2.048 5.195 1.00 0.00 C ATOM 183 CD GLN A 30 13.413 -1.668 4.887 1.00 0.00 C ATOM 184 OE1 GLN A 30 13.951 -2.014 3.839 1.00 0.00 O ATOM 185 NE2 GLN A 30 14.038 -0.944 5.801 1.00 0.00 N ATOM 0 H GLN A 30 11.625 -5.075 7.723 1.00 0.00 H new ATOM 0 HA GLN A 30 10.449 -2.548 7.225 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.746 -3.571 6.490 1.00 0.00 H new ATOM 0 HB3 GLN A 30 11.846 -4.183 5.117 1.00 0.00 H new ATOM 0 HG2 GLN A 30 11.407 -2.061 4.269 1.00 0.00 H new ATOM 0 HG3 GLN A 30 11.538 -1.285 5.835 1.00 0.00 H new ATOM 0 HE21 GLN A 30 13.555 -0.677 6.659 1.00 0.00 H new ATOM 0 HE22 GLN A 30 15.003 -0.652 5.648 1.00 0.00 H new ATOM 194 N GLU A 31 9.187 -5.183 5.780 1.00 0.00 N ATOM 195 CA GLU A 31 8.078 -5.707 5.012 1.00 0.00 C ATOM 196 C GLU A 31 6.774 -5.611 5.818 1.00 0.00 C ATOM 197 O GLU A 31 5.685 -5.600 5.250 1.00 0.00 O ATOM 198 CB GLU A 31 8.384 -7.147 4.590 1.00 0.00 C ATOM 199 CG GLU A 31 7.324 -7.766 3.697 1.00 0.00 C ATOM 200 CD GLU A 31 7.720 -9.133 3.177 1.00 0.00 C ATOM 201 OE1 GLU A 31 7.552 -10.128 3.915 1.00 0.00 O ATOM 202 OE2 GLU A 31 8.193 -9.219 2.024 1.00 0.00 O ATOM 0 H GLU A 31 9.767 -5.898 6.219 1.00 0.00 H new ATOM 0 HA GLU A 31 7.942 -5.110 4.110 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.341 -7.167 4.068 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.496 -7.761 5.484 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.391 -7.850 4.254 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.133 -7.103 2.853 1.00 0.00 H new ATOM 209 N GLN A 32 6.888 -5.515 7.143 1.00 0.00 N ATOM 210 CA GLN A 32 5.726 -5.293 7.999 1.00 0.00 C ATOM 211 C GLN A 32 5.231 -3.864 7.835 1.00 0.00 C ATOM 212 O GLN A 32 4.032 -3.604 7.885 1.00 0.00 O ATOM 213 CB GLN A 32 6.062 -5.538 9.469 1.00 0.00 C ATOM 214 CG GLN A 32 6.554 -6.939 9.775 1.00 0.00 C ATOM 215 CD GLN A 32 6.560 -7.247 11.260 1.00 0.00 C ATOM 216 OE1 GLN A 32 5.614 -6.673 11.991 1.00 0.00 O flip ATOM 217 NE2 GLN A 32 7.399 -8.006 11.746 1.00 0.00 N flip ATOM 0 H GLN A 32 7.773 -5.588 7.645 1.00 0.00 H new ATOM 0 HA GLN A 32 4.951 -5.997 7.698 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.824 -4.823 9.779 1.00 0.00 H new ATOM 0 HB3 GLN A 32 5.175 -5.339 10.070 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.921 -7.662 9.261 1.00 0.00 H new ATOM 0 HG3 GLN A 32 7.562 -7.060 9.379 1.00 0.00 H new ATOM 0 HE21 GLN A 32 8.111 -8.428 11.150 1.00 0.00 H new ATOM 0 HE22 GLN A 32 7.382 -8.213 12.745 1.00 0.00 H new ATOM 226 N GLN A 33 6.166 -2.932 7.663 1.00 0.00 N ATOM 227 CA GLN A 33 5.812 -1.567 7.291 1.00 0.00 C ATOM 228 C GLN A 33 4.989 -1.601 6.020 1.00 0.00 C ATOM 229 O GLN A 33 3.937 -0.974 5.928 1.00 0.00 O ATOM 230 CB GLN A 33 7.059 -0.710 7.076 1.00 0.00 C ATOM 231 CG GLN A 33 6.781 0.615 6.385 1.00 0.00 C ATOM 232 CD GLN A 33 8.044 1.426 6.169 1.00 0.00 C ATOM 233 OE1 GLN A 33 9.137 0.877 6.054 1.00 0.00 O ATOM 234 NE2 GLN A 33 7.900 2.739 6.090 1.00 0.00 N ATOM 0 H GLN A 33 7.166 -3.096 7.775 1.00 0.00 H new ATOM 0 HA GLN A 33 5.235 -1.122 8.102 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.525 -0.515 8.042 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.779 -1.274 6.483 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.303 0.428 5.424 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.078 1.194 6.983 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.975 3.158 6.191 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.714 3.332 5.928 1.00 0.00 H new ATOM 243 N PHE A 34 5.475 -2.373 5.058 1.00 0.00 N ATOM 244 CA PHE A 34 4.770 -2.584 3.810 1.00 0.00 C ATOM 245 C PHE A 34 3.393 -3.172 4.090 1.00 0.00 C ATOM 246 O PHE A 34 2.410 -2.766 3.482 1.00 0.00 O ATOM 247 CB PHE A 34 5.586 -3.519 2.912 1.00 0.00 C ATOM 248 CG PHE A 34 5.015 -3.712 1.538 1.00 0.00 C ATOM 249 CD1 PHE A 34 5.172 -2.736 0.568 1.00 0.00 C ATOM 250 CD2 PHE A 34 4.333 -4.873 1.213 1.00 0.00 C ATOM 251 CE1 PHE A 34 4.661 -2.912 -0.701 1.00 0.00 C ATOM 252 CE2 PHE A 34 3.818 -5.056 -0.055 1.00 0.00 C ATOM 253 CZ PHE A 34 3.981 -4.074 -1.012 1.00 0.00 C ATOM 0 H PHE A 34 6.365 -2.867 5.124 1.00 0.00 H new ATOM 0 HA PHE A 34 4.641 -1.631 3.296 1.00 0.00 H new ATOM 0 HB2 PHE A 34 6.597 -3.123 2.820 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.667 -4.491 3.398 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.701 -1.826 0.808 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.203 -5.643 1.959 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.792 -2.144 -1.449 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.289 -5.966 -0.298 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.577 -4.214 -2.004 1.00 0.00 H new ATOM 263 N ARG A 35 3.336 -4.109 5.039 1.00 0.00 N ATOM 264 CA ARG A 35 2.079 -4.738 5.444 1.00 0.00 C ATOM 265 C ARG A 35 1.062 -3.703 5.909 1.00 0.00 C ATOM 266 O ARG A 35 -0.050 -3.643 5.398 1.00 0.00 O ATOM 267 CB ARG A 35 2.327 -5.726 6.590 1.00 0.00 C ATOM 268 CG ARG A 35 2.235 -7.185 6.199 1.00 0.00 C ATOM 269 CD ARG A 35 3.287 -7.557 5.187 1.00 0.00 C ATOM 270 NE ARG A 35 2.856 -8.666 4.336 1.00 0.00 N ATOM 271 CZ ARG A 35 3.650 -9.661 3.958 1.00 0.00 C ATOM 272 NH1 ARG A 35 4.855 -9.780 4.492 1.00 0.00 N ATOM 273 NH2 ARG A 35 3.224 -10.567 3.084 1.00 0.00 N ATOM 0 H ARG A 35 4.154 -4.450 5.544 1.00 0.00 H new ATOM 0 HA ARG A 35 1.682 -5.260 4.573 1.00 0.00 H new ATOM 0 HB2 ARG A 35 3.317 -5.537 7.006 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.605 -5.530 7.383 1.00 0.00 H new ATOM 0 HG2 ARG A 35 2.347 -7.808 7.087 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.246 -7.390 5.789 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.516 -6.691 4.566 1.00 0.00 H new ATOM 0 HD3 ARG A 35 4.207 -7.832 5.703 1.00 0.00 H new ATOM 0 HE ARG A 35 1.888 -8.676 4.014 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.171 -9.109 5.192 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.467 -10.543 4.204 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.282 -10.501 2.699 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.839 -11.329 2.798 1.00 0.00 H new ATOM 287 N GLN A 36 1.468 -2.857 6.844 1.00 0.00 N ATOM 288 CA GLN A 36 0.564 -1.872 7.422 1.00 0.00 C ATOM 289 C GLN A 36 0.163 -0.847 6.381 1.00 0.00 C ATOM 290 O GLN A 36 -1.000 -0.450 6.292 1.00 0.00 O ATOM 291 CB GLN A 36 1.231 -1.167 8.605 1.00 0.00 C ATOM 292 CG GLN A 36 1.768 -2.114 9.670 1.00 0.00 C ATOM 293 CD GLN A 36 2.642 -1.406 10.690 1.00 0.00 C ATOM 294 OE1 GLN A 36 3.297 -0.409 10.380 1.00 0.00 O ATOM 295 NE2 GLN A 36 2.664 -1.915 11.912 1.00 0.00 N ATOM 0 H GLN A 36 2.416 -2.832 7.219 1.00 0.00 H new ATOM 0 HA GLN A 36 -0.328 -2.391 7.772 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.051 -0.553 8.233 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.510 -0.491 9.065 1.00 0.00 H new ATOM 0 HG2 GLN A 36 0.932 -2.592 10.181 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.343 -2.906 9.191 1.00 0.00 H new ATOM 0 HE21 GLN A 36 2.108 -2.742 12.130 1.00 0.00 H new ATOM 0 HE22 GLN A 36 3.237 -1.480 12.635 1.00 0.00 H new ATOM 304 N LEU A 37 1.132 -0.451 5.574 1.00 0.00 N ATOM 305 CA LEU A 37 0.923 0.564 4.563 1.00 0.00 C ATOM 306 C LEU A 37 0.013 0.055 3.442 1.00 0.00 C ATOM 307 O LEU A 37 -0.613 0.844 2.739 1.00 0.00 O ATOM 308 CB LEU A 37 2.273 1.042 4.015 1.00 0.00 C ATOM 309 CG LEU A 37 3.184 1.735 5.034 1.00 0.00 C ATOM 310 CD1 LEU A 37 4.440 2.264 4.357 1.00 0.00 C ATOM 311 CD2 LEU A 37 2.445 2.852 5.749 1.00 0.00 C ATOM 0 H LEU A 37 2.081 -0.824 5.603 1.00 0.00 H new ATOM 0 HA LEU A 37 0.417 1.413 5.023 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.804 0.184 3.602 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.089 1.730 3.190 1.00 0.00 H new ATOM 0 HG LEU A 37 3.483 0.998 5.780 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.074 2.753 5.097 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.984 1.436 3.903 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.162 2.983 3.586 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.112 3.329 6.467 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.109 3.590 5.021 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.583 2.440 6.273 1.00 0.00 H new ATOM 323 N THR A 38 -0.063 -1.264 3.277 1.00 0.00 N ATOM 324 CA THR A 38 -0.943 -1.841 2.271 1.00 0.00 C ATOM 325 C THR A 38 -2.264 -2.325 2.877 1.00 0.00 C ATOM 326 O THR A 38 -3.220 -2.592 2.143 1.00 0.00 O ATOM 327 CB THR A 38 -0.282 -3.012 1.516 1.00 0.00 C ATOM 328 OG1 THR A 38 0.375 -3.893 2.427 1.00 0.00 O ATOM 329 CG2 THR A 38 0.702 -2.507 0.472 1.00 0.00 C ATOM 0 H THR A 38 0.468 -1.944 3.821 1.00 0.00 H new ATOM 0 HA THR A 38 -1.145 -1.037 1.564 1.00 0.00 H new ATOM 0 HB THR A 38 -1.070 -3.563 1.003 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.313 -3.625 2.522 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.152 -3.355 -0.044 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.178 -1.880 -0.249 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.483 -1.923 0.960 1.00 0.00 H new ATOM 337 N GLU A 39 -2.324 -2.453 4.204 1.00 0.00 N ATOM 338 CA GLU A 39 -3.534 -2.951 4.849 1.00 0.00 C ATOM 339 C GLU A 39 -4.451 -1.826 5.310 1.00 0.00 C ATOM 340 O GLU A 39 -5.672 -1.964 5.268 1.00 0.00 O ATOM 341 CB GLU A 39 -3.198 -3.863 6.028 1.00 0.00 C ATOM 342 CG GLU A 39 -2.625 -5.208 5.615 1.00 0.00 C ATOM 343 CD GLU A 39 -2.516 -6.167 6.778 1.00 0.00 C ATOM 344 OE1 GLU A 39 -3.561 -6.650 7.260 1.00 0.00 O ATOM 345 OE2 GLU A 39 -1.378 -6.452 7.211 1.00 0.00 O ATOM 0 H GLU A 39 -1.562 -2.222 4.841 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.068 -3.528 4.094 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.482 -3.356 6.675 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.100 -4.028 6.617 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.256 -5.647 4.843 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.639 -5.061 5.175 1.00 0.00 H new ATOM 352 N GLU A 40 -3.877 -0.709 5.734 1.00 0.00 N ATOM 353 CA GLU A 40 -4.678 0.403 6.233 1.00 0.00 C ATOM 354 C GLU A 40 -5.099 1.302 5.069 1.00 0.00 C ATOM 355 O GLU A 40 -4.943 2.520 5.104 1.00 0.00 O ATOM 356 CB GLU A 40 -3.911 1.195 7.301 1.00 0.00 C ATOM 357 CG GLU A 40 -4.807 2.085 8.151 1.00 0.00 C ATOM 358 CD GLU A 40 -4.075 2.750 9.300 1.00 0.00 C ATOM 359 OE1 GLU A 40 -3.804 2.069 10.315 1.00 0.00 O ATOM 360 OE2 GLU A 40 -3.795 3.962 9.212 1.00 0.00 O ATOM 0 H GLU A 40 -2.870 -0.548 5.743 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.577 0.007 6.706 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.382 0.497 7.951 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.156 1.812 6.814 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.250 2.854 7.518 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.628 1.488 8.549 1.00 0.00 H new ATOM 367 N LEU A 41 -5.632 0.673 4.034 1.00 0.00 N ATOM 368 CA LEU A 41 -6.068 1.372 2.838 1.00 0.00 C ATOM 369 C LEU A 41 -7.342 0.739 2.295 1.00 0.00 C ATOM 370 O LEU A 41 -7.432 -0.483 2.171 1.00 0.00 O ATOM 371 CB LEU A 41 -4.955 1.354 1.779 1.00 0.00 C ATOM 372 CG LEU A 41 -5.361 1.820 0.379 1.00 0.00 C ATOM 373 CD1 LEU A 41 -6.031 3.181 0.436 1.00 0.00 C ATOM 374 CD2 LEU A 41 -4.148 1.858 -0.531 1.00 0.00 C ATOM 0 H LEU A 41 -5.774 -0.336 4.000 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.283 2.410 3.092 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.137 1.984 2.128 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.566 0.338 1.705 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.080 1.109 -0.027 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.311 3.491 -0.571 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.924 3.121 1.058 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.340 3.909 0.861 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.449 2.191 -1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.410 2.549 -0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.713 0.861 -0.599 1.00 0.00 H new ATOM 386 N ARG A 42 -8.324 1.571 1.973 1.00 0.00 N ATOM 387 CA ARG A 42 -9.591 1.075 1.476 1.00 0.00 C ATOM 388 C ARG A 42 -9.543 0.903 -0.032 1.00 0.00 C ATOM 389 O ARG A 42 -9.502 1.883 -0.779 1.00 0.00 O ATOM 390 CB ARG A 42 -10.747 2.018 1.827 1.00 0.00 C ATOM 391 CG ARG A 42 -11.977 1.299 2.356 1.00 0.00 C ATOM 392 CD ARG A 42 -13.256 2.021 1.970 1.00 0.00 C ATOM 393 NE ARG A 42 -14.421 1.458 2.646 1.00 0.00 N ATOM 394 CZ ARG A 42 -15.571 1.167 2.041 1.00 0.00 C ATOM 395 NH1 ARG A 42 -15.741 1.411 0.747 1.00 0.00 N ATOM 396 NH2 ARG A 42 -16.568 0.656 2.742 1.00 0.00 N ATOM 0 H ARG A 42 -8.264 2.586 2.048 1.00 0.00 H new ATOM 0 HA ARG A 42 -9.764 0.112 1.956 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -10.406 2.735 2.574 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -11.023 2.588 0.940 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -12.001 0.282 1.965 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.915 1.222 3.442 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.166 3.078 2.220 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.397 1.959 0.891 1.00 0.00 H new ATOM 0 HE ARG A 42 -14.349 1.276 3.647 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.985 1.827 0.203 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -16.628 1.183 0.297 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -16.454 0.486 3.741 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -17.451 0.431 2.284 1.00 0.00 H new ATOM 410 N CYS A 43 -9.534 -0.339 -0.472 1.00 0.00 N ATOM 411 CA CYS A 43 -9.671 -0.648 -1.883 1.00 0.00 C ATOM 412 C CYS A 43 -11.092 -1.131 -2.163 1.00 0.00 C ATOM 413 O CYS A 43 -11.578 -2.060 -1.513 1.00 0.00 O ATOM 414 CB CYS A 43 -8.635 -1.697 -2.304 1.00 0.00 C ATOM 415 SG CYS A 43 -8.351 -2.998 -1.077 1.00 0.00 S ATOM 0 H CYS A 43 -9.433 -1.156 0.130 1.00 0.00 H new ATOM 0 HA CYS A 43 -9.488 0.252 -2.471 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -8.960 -2.158 -3.237 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -7.690 -1.195 -2.509 1.00 0.00 H new ATOM 0 HG CYS A 43 -9.386 -3.784 -1.030 1.00 0.00 H new ATOM 421 N PRO A 44 -11.783 -0.493 -3.126 1.00 0.00 N ATOM 422 CA PRO A 44 -13.197 -0.768 -3.434 1.00 0.00 C ATOM 423 C PRO A 44 -13.416 -2.110 -4.133 1.00 0.00 C ATOM 424 O PRO A 44 -14.268 -2.235 -5.011 1.00 0.00 O ATOM 425 CB PRO A 44 -13.604 0.387 -4.364 1.00 0.00 C ATOM 426 CG PRO A 44 -12.475 1.362 -4.316 1.00 0.00 C ATOM 427 CD PRO A 44 -11.251 0.560 -3.992 1.00 0.00 C ATOM 0 HA PRO A 44 -13.788 -0.832 -2.521 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.771 0.031 -5.381 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -14.534 0.848 -4.031 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -12.363 1.877 -5.270 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.652 2.127 -3.560 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -10.785 0.151 -4.888 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -10.495 1.160 -3.485 1.00 0.00 H new ATOM 435 N LYS A 45 -12.646 -3.109 -3.741 1.00 0.00 N ATOM 436 CA LYS A 45 -12.820 -4.452 -4.253 1.00 0.00 C ATOM 437 C LYS A 45 -13.856 -5.192 -3.418 1.00 0.00 C ATOM 438 O LYS A 45 -14.565 -6.064 -3.924 1.00 0.00 O ATOM 439 CB LYS A 45 -11.498 -5.212 -4.232 1.00 0.00 C ATOM 440 CG LYS A 45 -11.642 -6.667 -4.632 1.00 0.00 C ATOM 441 CD LYS A 45 -11.976 -6.829 -6.103 1.00 0.00 C ATOM 442 CE LYS A 45 -12.498 -8.226 -6.387 1.00 0.00 C ATOM 443 NZ LYS A 45 -12.218 -8.652 -7.783 1.00 0.00 N ATOM 0 H LYS A 45 -11.889 -3.012 -3.064 1.00 0.00 H new ATOM 0 HA LYS A 45 -13.165 -4.388 -5.285 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -10.794 -4.724 -4.906 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -11.070 -5.157 -3.231 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.715 -7.196 -4.412 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -12.424 -7.131 -4.031 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -12.723 -6.091 -6.394 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -11.088 -6.638 -6.705 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.040 -8.932 -5.694 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -13.573 -8.255 -6.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -12.591 -9.611 -7.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -12.676 -7.994 -8.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.191 -8.650 -7.947 1.00 0.00 H new ATOM 457 N CYS A 46 -13.920 -4.833 -2.132 1.00 0.00 N ATOM 458 CA CYS A 46 -14.828 -5.460 -1.162 1.00 0.00 C ATOM 459 C CYS A 46 -14.372 -6.874 -0.807 1.00 0.00 C ATOM 460 O CYS A 46 -14.344 -7.253 0.363 1.00 0.00 O ATOM 461 CB CYS A 46 -16.271 -5.473 -1.679 1.00 0.00 C ATOM 462 SG CYS A 46 -16.914 -3.839 -2.110 1.00 0.00 S ATOM 0 H CYS A 46 -13.341 -4.095 -1.731 1.00 0.00 H new ATOM 0 HA CYS A 46 -14.799 -4.858 -0.254 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -16.325 -6.116 -2.557 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -16.914 -5.916 -0.919 1.00 0.00 H new ATOM 0 HG CYS A 46 -18.136 -3.953 -2.538 1.00 0.00 H new ATOM 468 N GLN A 47 -14.003 -7.640 -1.821 1.00 0.00 N ATOM 469 CA GLN A 47 -13.529 -9.002 -1.629 1.00 0.00 C ATOM 470 C GLN A 47 -12.029 -9.009 -1.373 1.00 0.00 C ATOM 471 O GLN A 47 -11.426 -10.051 -1.113 1.00 0.00 O ATOM 472 CB GLN A 47 -13.896 -9.838 -2.850 1.00 0.00 C ATOM 473 CG GLN A 47 -15.377 -9.746 -3.169 1.00 0.00 C ATOM 474 CD GLN A 47 -16.249 -10.196 -2.010 1.00 0.00 C ATOM 475 OE1 GLN A 47 -15.884 -11.089 -1.250 1.00 0.00 O ATOM 476 NE2 GLN A 47 -17.394 -9.550 -1.845 1.00 0.00 N ATOM 0 H GLN A 47 -14.023 -7.338 -2.795 1.00 0.00 H new ATOM 0 HA GLN A 47 -14.009 -9.441 -0.754 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -13.317 -9.500 -3.710 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -13.626 -10.879 -2.673 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -15.626 -8.717 -3.429 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -15.596 -10.358 -4.044 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -17.663 -8.814 -2.498 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -18.007 -9.789 -1.065 1.00 0.00 H new ATOM 485 N ASN A 48 -11.443 -7.825 -1.463 1.00 0.00 N ATOM 486 CA ASN A 48 -10.061 -7.591 -1.082 1.00 0.00 C ATOM 487 C ASN A 48 -10.017 -6.360 -0.187 1.00 0.00 C ATOM 488 O ASN A 48 -10.251 -5.243 -0.650 1.00 0.00 O ATOM 489 CB ASN A 48 -9.165 -7.394 -2.313 1.00 0.00 C ATOM 490 CG ASN A 48 -8.861 -8.686 -3.061 1.00 0.00 C ATOM 491 OD1 ASN A 48 -8.705 -9.780 -2.331 1.00 0.00 O flip ATOM 492 ND2 ASN A 48 -8.736 -8.693 -4.288 1.00 0.00 N flip ATOM 0 H ASN A 48 -11.920 -6.991 -1.807 1.00 0.00 H new ATOM 0 HA ASN A 48 -9.681 -8.461 -0.547 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.648 -6.695 -2.995 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.227 -6.937 -1.999 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -8.863 -7.831 -4.819 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -8.505 -9.561 -4.772 1.00 0.00 H new ATOM 499 N ASN A 49 -9.756 -6.575 1.095 1.00 0.00 N ATOM 500 CA ASN A 49 -9.843 -5.509 2.096 1.00 0.00 C ATOM 501 C ASN A 49 -8.558 -4.692 2.165 1.00 0.00 C ATOM 502 O ASN A 49 -8.514 -3.636 2.793 1.00 0.00 O ATOM 503 CB ASN A 49 -10.153 -6.092 3.483 1.00 0.00 C ATOM 504 CG ASN A 49 -8.988 -6.864 4.089 1.00 0.00 C ATOM 505 OD1 ASN A 49 -8.181 -7.470 3.378 1.00 0.00 O ATOM 506 ND2 ASN A 49 -8.890 -6.849 5.409 1.00 0.00 N ATOM 0 H ASN A 49 -9.480 -7.482 1.472 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.654 -4.848 1.790 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -10.431 -5.281 4.156 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -11.016 -6.753 3.406 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -8.129 -7.349 5.870 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.575 -6.338 5.965 1.00 0.00 H new ATOM 513 N SER A 50 -7.510 -5.193 1.537 1.00 0.00 N ATOM 514 CA SER A 50 -6.219 -4.530 1.554 1.00 0.00 C ATOM 515 C SER A 50 -5.454 -4.852 0.277 1.00 0.00 C ATOM 516 O SER A 50 -5.565 -5.955 -0.262 1.00 0.00 O ATOM 517 CB SER A 50 -5.417 -4.993 2.775 1.00 0.00 C ATOM 518 OG SER A 50 -6.136 -4.775 3.980 1.00 0.00 O ATOM 0 H SER A 50 -7.529 -6.063 1.005 1.00 0.00 H new ATOM 0 HA SER A 50 -6.370 -3.452 1.613 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.181 -6.053 2.677 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.468 -4.458 2.814 1.00 0.00 H new ATOM 0 HG SER A 50 -5.549 -4.945 4.746 1.00 0.00 H new ATOM 524 N ILE A 51 -4.669 -3.891 -0.207 1.00 0.00 N ATOM 525 CA ILE A 51 -3.873 -4.098 -1.415 1.00 0.00 C ATOM 526 C ILE A 51 -2.708 -5.039 -1.136 1.00 0.00 C ATOM 527 O ILE A 51 -1.973 -5.421 -2.042 1.00 0.00 O ATOM 528 CB ILE A 51 -3.344 -2.776 -2.013 1.00 0.00 C ATOM 529 CG1 ILE A 51 -2.549 -1.987 -0.971 1.00 0.00 C ATOM 530 CG2 ILE A 51 -4.496 -1.945 -2.561 1.00 0.00 C ATOM 531 CD1 ILE A 51 -1.828 -0.785 -1.542 1.00 0.00 C ATOM 0 H ILE A 51 -4.567 -2.968 0.215 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.539 -4.548 -2.152 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.671 -3.015 -2.836 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.227 -1.654 -0.185 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.820 -2.650 -0.504 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -4.108 -1.016 -2.979 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.011 -2.507 -3.340 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.195 -1.716 -1.756 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.286 -0.274 -0.746 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.125 -1.112 -2.308 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.553 -0.102 -1.984 1.00 0.00 H new ATOM 543 N ALA A 52 -2.551 -5.404 0.133 1.00 0.00 N ATOM 544 CA ALA A 52 -1.597 -6.431 0.534 1.00 0.00 C ATOM 545 C ALA A 52 -2.092 -7.801 0.098 1.00 0.00 C ATOM 546 O ALA A 52 -1.306 -8.723 -0.126 1.00 0.00 O ATOM 547 CB ALA A 52 -1.404 -6.412 2.043 1.00 0.00 C ATOM 0 H ALA A 52 -3.078 -4.999 0.907 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.641 -6.225 0.052 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.689 -7.184 2.328 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.026 -5.437 2.349 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.358 -6.602 2.534 1.00 0.00 H new ATOM 553 N ASP A 53 -3.410 -7.919 -0.013 1.00 0.00 N ATOM 554 CA ASP A 53 -4.049 -9.165 -0.414 1.00 0.00 C ATOM 555 C ASP A 53 -4.492 -9.075 -1.870 1.00 0.00 C ATOM 556 O ASP A 53 -4.775 -10.083 -2.514 1.00 0.00 O ATOM 557 CB ASP A 53 -5.255 -9.445 0.489 1.00 0.00 C ATOM 558 CG ASP A 53 -5.821 -10.842 0.316 1.00 0.00 C ATOM 559 OD1 ASP A 53 -5.257 -11.796 0.890 1.00 0.00 O ATOM 560 OD2 ASP A 53 -6.816 -10.993 -0.425 1.00 0.00 O ATOM 0 H ASP A 53 -4.063 -7.157 0.172 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.335 -9.983 -0.313 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.962 -9.305 1.529 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.036 -8.715 0.277 1.00 0.00 H new ATOM 565 N SER A 54 -4.533 -7.852 -2.385 1.00 0.00 N ATOM 566 CA SER A 54 -4.984 -7.610 -3.747 1.00 0.00 C ATOM 567 C SER A 54 -3.848 -7.828 -4.739 1.00 0.00 C ATOM 568 O SER A 54 -2.871 -7.080 -4.761 1.00 0.00 O ATOM 569 CB SER A 54 -5.529 -6.187 -3.885 1.00 0.00 C ATOM 570 OG SER A 54 -6.487 -5.907 -2.880 1.00 0.00 O ATOM 0 H SER A 54 -4.258 -7.011 -1.877 1.00 0.00 H new ATOM 0 HA SER A 54 -5.782 -8.318 -3.969 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.709 -5.472 -3.819 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.982 -6.062 -4.868 1.00 0.00 H new ATOM 0 HG SER A 54 -6.063 -5.967 -1.998 1.00 0.00 H new ATOM 576 N ASN A 55 -3.993 -8.854 -5.561 1.00 0.00 N ATOM 577 CA ASN A 55 -3.001 -9.177 -6.583 1.00 0.00 C ATOM 578 C ASN A 55 -3.280 -8.403 -7.860 1.00 0.00 C ATOM 579 O ASN A 55 -2.758 -8.726 -8.929 1.00 0.00 O ATOM 580 CB ASN A 55 -3.017 -10.670 -6.885 1.00 0.00 C ATOM 581 CG ASN A 55 -2.441 -11.503 -5.757 1.00 0.00 C ATOM 582 OD1 ASN A 55 -1.242 -11.779 -5.724 1.00 0.00 O ATOM 583 ND2 ASN A 55 -3.289 -11.912 -4.827 1.00 0.00 N ATOM 0 H ASN A 55 -4.794 -9.485 -5.543 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.019 -8.897 -6.202 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.042 -10.986 -7.077 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.449 -10.858 -7.796 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.956 -12.478 -4.046 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.276 -11.662 -4.891 1.00 0.00 H new ATOM 590 N SER A 56 -4.128 -7.397 -7.736 1.00 0.00 N ATOM 591 CA SER A 56 -4.502 -6.560 -8.860 1.00 0.00 C ATOM 592 C SER A 56 -3.287 -5.841 -9.430 1.00 0.00 C ATOM 593 O SER A 56 -2.406 -5.410 -8.684 1.00 0.00 O ATOM 594 CB SER A 56 -5.567 -5.546 -8.429 1.00 0.00 C ATOM 595 OG SER A 56 -5.905 -4.663 -9.485 1.00 0.00 O ATOM 0 H SER A 56 -4.575 -7.139 -6.856 1.00 0.00 H new ATOM 0 HA SER A 56 -4.915 -7.198 -9.641 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.460 -6.075 -8.096 1.00 0.00 H new ATOM 0 HB3 SER A 56 -5.201 -4.972 -7.578 1.00 0.00 H new ATOM 0 HG SER A 56 -6.588 -4.031 -9.177 1.00 0.00 H new ATOM 601 N MET A 57 -3.247 -5.725 -10.751 1.00 0.00 N ATOM 602 CA MET A 57 -2.156 -5.047 -11.447 1.00 0.00 C ATOM 603 C MET A 57 -1.927 -3.669 -10.847 1.00 0.00 C ATOM 604 O MET A 57 -0.811 -3.304 -10.467 1.00 0.00 O ATOM 605 CB MET A 57 -2.496 -4.882 -12.929 1.00 0.00 C ATOM 606 CG MET A 57 -3.292 -6.033 -13.506 1.00 0.00 C ATOM 607 SD MET A 57 -4.872 -5.498 -14.189 1.00 0.00 S ATOM 608 CE MET A 57 -5.709 -4.940 -12.705 1.00 0.00 C ATOM 0 H MET A 57 -3.967 -6.096 -11.371 1.00 0.00 H new ATOM 0 HA MET A 57 -1.256 -5.652 -11.339 1.00 0.00 H new ATOM 0 HB2 MET A 57 -3.061 -3.959 -13.062 1.00 0.00 H new ATOM 0 HB3 MET A 57 -1.570 -4.773 -13.494 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.708 -6.521 -14.286 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.468 -6.776 -12.728 1.00 0.00 H new ATOM 0 HE1 MET A 57 -6.429 -4.163 -12.963 1.00 0.00 H new ATOM 0 HE2 MET A 57 -6.230 -5.779 -12.244 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.978 -4.538 -12.004 1.00 0.00 H new ATOM 618 N ILE A 58 -3.019 -2.929 -10.739 1.00 0.00 N ATOM 619 CA ILE A 58 -2.987 -1.557 -10.269 1.00 0.00 C ATOM 620 C ILE A 58 -2.780 -1.524 -8.752 1.00 0.00 C ATOM 621 O ILE A 58 -2.190 -0.589 -8.217 1.00 0.00 O ATOM 622 CB ILE A 58 -4.280 -0.802 -10.708 1.00 0.00 C ATOM 623 CG1 ILE A 58 -5.222 -0.513 -9.542 1.00 0.00 C ATOM 624 CG2 ILE A 58 -5.016 -1.594 -11.781 1.00 0.00 C ATOM 625 CD1 ILE A 58 -4.908 0.780 -8.829 1.00 0.00 C ATOM 0 H ILE A 58 -3.953 -3.265 -10.976 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.143 -1.038 -10.723 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.960 0.159 -11.110 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.247 -0.477 -9.912 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.170 -1.336 -8.829 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -5.916 -1.055 -12.078 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.368 -1.722 -12.648 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.292 -2.572 -11.386 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.614 0.925 -8.011 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.894 0.739 -8.430 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.988 1.611 -9.530 1.00 0.00 H new ATOM 637 N ALA A 59 -3.250 -2.561 -8.061 1.00 0.00 N ATOM 638 CA ALA A 59 -3.028 -2.685 -6.622 1.00 0.00 C ATOM 639 C ALA A 59 -1.533 -2.777 -6.329 1.00 0.00 C ATOM 640 O ALA A 59 -1.042 -2.218 -5.348 1.00 0.00 O ATOM 641 CB ALA A 59 -3.753 -3.904 -6.075 1.00 0.00 C ATOM 0 H ALA A 59 -3.785 -3.325 -8.473 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.428 -1.799 -6.129 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.577 -3.981 -5.002 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.822 -3.805 -6.261 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.380 -4.801 -6.569 1.00 0.00 H new ATOM 647 N THR A 60 -0.818 -3.491 -7.189 1.00 0.00 N ATOM 648 CA THR A 60 0.631 -3.568 -7.112 1.00 0.00 C ATOM 649 C THR A 60 1.259 -2.207 -7.399 1.00 0.00 C ATOM 650 O THR A 60 2.207 -1.799 -6.729 1.00 0.00 O ATOM 651 CB THR A 60 1.166 -4.608 -8.107 1.00 0.00 C ATOM 652 OG1 THR A 60 0.586 -5.886 -7.824 1.00 0.00 O ATOM 653 CG2 THR A 60 2.678 -4.694 -8.035 1.00 0.00 C ATOM 0 H THR A 60 -1.225 -4.029 -7.954 1.00 0.00 H new ATOM 0 HA THR A 60 0.901 -3.872 -6.101 1.00 0.00 H new ATOM 0 HB THR A 60 0.891 -4.301 -9.116 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.367 -5.870 -8.051 1.00 0.00 H new ATOM 0 HG21 THR A 60 3.035 -5.437 -8.748 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.110 -3.723 -8.276 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.978 -4.984 -7.028 1.00 0.00 H new ATOM 661 N ASP A 61 0.712 -1.516 -8.391 1.00 0.00 N ATOM 662 CA ASP A 61 1.132 -0.153 -8.726 1.00 0.00 C ATOM 663 C ASP A 61 1.102 0.726 -7.478 1.00 0.00 C ATOM 664 O ASP A 61 2.066 1.425 -7.163 1.00 0.00 O ATOM 665 CB ASP A 61 0.189 0.442 -9.775 1.00 0.00 C ATOM 666 CG ASP A 61 0.782 1.637 -10.490 1.00 0.00 C ATOM 667 OD1 ASP A 61 1.481 1.441 -11.503 1.00 0.00 O ATOM 668 OD2 ASP A 61 0.567 2.776 -10.022 1.00 0.00 O ATOM 0 H ASP A 61 -0.033 -1.879 -8.986 1.00 0.00 H new ATOM 0 HA ASP A 61 2.146 -0.190 -9.123 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.062 -0.325 -10.507 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.742 0.739 -9.292 1.00 0.00 H new ATOM 673 N LEU A 62 -0.015 0.654 -6.764 1.00 0.00 N ATOM 674 CA LEU A 62 -0.207 1.401 -5.524 1.00 0.00 C ATOM 675 C LEU A 62 0.845 1.015 -4.489 1.00 0.00 C ATOM 676 O LEU A 62 1.326 1.849 -3.725 1.00 0.00 O ATOM 677 CB LEU A 62 -1.600 1.114 -4.954 1.00 0.00 C ATOM 678 CG LEU A 62 -2.771 1.358 -5.904 1.00 0.00 C ATOM 679 CD1 LEU A 62 -4.083 1.037 -5.209 1.00 0.00 C ATOM 680 CD2 LEU A 62 -2.765 2.793 -6.397 1.00 0.00 C ATOM 0 H LEU A 62 -0.814 0.077 -7.027 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.109 2.463 -5.749 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.631 0.074 -4.629 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.743 1.730 -4.066 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.664 0.701 -6.767 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.911 1.214 -5.895 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.085 -0.008 -4.900 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.196 1.674 -4.332 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.606 2.949 -7.073 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.852 3.470 -5.547 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.833 2.992 -6.926 1.00 0.00 H new ATOM 692 N ARG A 63 1.191 -0.262 -4.470 1.00 0.00 N ATOM 693 CA ARG A 63 2.166 -0.778 -3.523 1.00 0.00 C ATOM 694 C ARG A 63 3.563 -0.243 -3.814 1.00 0.00 C ATOM 695 O ARG A 63 4.387 -0.115 -2.908 1.00 0.00 O ATOM 696 CB ARG A 63 2.156 -2.304 -3.532 1.00 0.00 C ATOM 697 CG ARG A 63 0.904 -2.883 -2.900 1.00 0.00 C ATOM 698 CD ARG A 63 1.013 -4.381 -2.702 1.00 0.00 C ATOM 699 NE ARG A 63 0.854 -5.122 -3.956 1.00 0.00 N ATOM 700 CZ ARG A 63 1.398 -6.320 -4.192 1.00 0.00 C ATOM 701 NH1 ARG A 63 2.120 -6.925 -3.256 1.00 0.00 N ATOM 702 NH2 ARG A 63 1.223 -6.914 -5.368 1.00 0.00 N ATOM 0 H ARG A 63 0.808 -0.964 -5.104 1.00 0.00 H new ATOM 0 HA ARG A 63 1.885 -0.433 -2.528 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.237 -2.658 -4.560 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.032 -2.673 -2.998 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.727 -2.402 -1.938 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.043 -2.662 -3.531 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.983 -4.617 -2.264 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.254 -4.707 -1.991 1.00 0.00 H new ATOM 0 HE ARG A 63 0.293 -4.697 -4.695 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.262 -6.476 -2.351 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.533 -7.839 -3.442 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.672 -6.456 -6.094 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.640 -7.828 -5.545 1.00 0.00 H new ATOM 716 N GLN A 64 3.825 0.071 -5.074 1.00 0.00 N ATOM 717 CA GLN A 64 5.094 0.671 -5.457 1.00 0.00 C ATOM 718 C GLN A 64 5.183 2.094 -4.915 1.00 0.00 C ATOM 719 O GLN A 64 6.254 2.542 -4.512 1.00 0.00 O ATOM 720 CB GLN A 64 5.264 0.647 -6.974 1.00 0.00 C ATOM 721 CG GLN A 64 5.158 -0.752 -7.559 1.00 0.00 C ATOM 722 CD GLN A 64 5.300 -0.779 -9.066 1.00 0.00 C ATOM 723 OE1 GLN A 64 4.318 -0.633 -9.795 1.00 0.00 O ATOM 724 NE2 GLN A 64 6.516 -0.984 -9.547 1.00 0.00 N ATOM 0 H GLN A 64 3.177 -0.079 -5.847 1.00 0.00 H new ATOM 0 HA GLN A 64 5.906 0.087 -5.023 1.00 0.00 H new ATOM 0 HB2 GLN A 64 4.506 1.284 -7.430 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.234 1.071 -7.233 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.928 -1.384 -7.116 1.00 0.00 H new ATOM 0 HG3 GLN A 64 4.195 -1.183 -7.283 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.304 -1.100 -8.910 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.665 -1.026 -10.555 1.00 0.00 H new ATOM 733 N LYS A 65 4.045 2.787 -4.878 1.00 0.00 N ATOM 734 CA LYS A 65 3.970 4.109 -4.260 1.00 0.00 C ATOM 735 C LYS A 65 4.308 4.005 -2.779 1.00 0.00 C ATOM 736 O LYS A 65 5.071 4.810 -2.248 1.00 0.00 O ATOM 737 CB LYS A 65 2.574 4.707 -4.423 1.00 0.00 C ATOM 738 CG LYS A 65 2.410 6.083 -3.788 1.00 0.00 C ATOM 739 CD LYS A 65 2.876 7.192 -4.718 1.00 0.00 C ATOM 740 CE LYS A 65 4.349 7.493 -4.525 1.00 0.00 C ATOM 741 NZ LYS A 65 4.907 8.305 -5.636 1.00 0.00 N ATOM 0 H LYS A 65 3.163 2.454 -5.269 1.00 0.00 H new ATOM 0 HA LYS A 65 4.688 4.761 -4.757 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.343 4.779 -5.486 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.845 4.026 -3.983 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.363 6.242 -3.529 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.978 6.125 -2.859 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.695 6.901 -5.753 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.292 8.093 -4.533 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.489 8.024 -3.583 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.902 6.557 -4.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.536 9.037 -5.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.446 7.690 -6.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.130 8.757 -6.160 1.00 0.00 H new ATOM 755 N VAL A 66 3.726 2.998 -2.129 1.00 0.00 N ATOM 756 CA VAL A 66 4.029 2.688 -0.735 1.00 0.00 C ATOM 757 C VAL A 66 5.539 2.553 -0.527 1.00 0.00 C ATOM 758 O VAL A 66 6.087 3.066 0.449 1.00 0.00 O ATOM 759 CB VAL A 66 3.302 1.396 -0.284 1.00 0.00 C ATOM 760 CG1 VAL A 66 3.785 0.956 1.084 1.00 0.00 C ATOM 761 CG2 VAL A 66 1.796 1.619 -0.264 1.00 0.00 C ATOM 0 H VAL A 66 3.035 2.378 -2.552 1.00 0.00 H new ATOM 0 HA VAL A 66 3.668 3.513 -0.121 1.00 0.00 H new ATOM 0 HB VAL A 66 3.533 0.606 -0.999 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.261 0.047 1.380 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.857 0.761 1.046 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.585 1.743 1.811 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.297 0.704 0.054 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.557 2.424 0.431 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.455 1.889 -1.263 1.00 0.00 H new ATOM 771 N TYR A 67 6.210 1.901 -1.470 1.00 0.00 N ATOM 772 CA TYR A 67 7.659 1.734 -1.412 1.00 0.00 C ATOM 773 C TYR A 67 8.377 3.077 -1.583 1.00 0.00 C ATOM 774 O TYR A 67 9.269 3.413 -0.803 1.00 0.00 O ATOM 775 CB TYR A 67 8.115 0.749 -2.489 1.00 0.00 C ATOM 776 CG TYR A 67 9.594 0.433 -2.449 1.00 0.00 C ATOM 777 CD1 TYR A 67 10.126 -0.374 -1.451 1.00 0.00 C ATOM 778 CD2 TYR A 67 10.458 0.953 -3.403 1.00 0.00 C ATOM 779 CE1 TYR A 67 11.479 -0.651 -1.405 1.00 0.00 C ATOM 780 CE2 TYR A 67 11.812 0.677 -3.367 1.00 0.00 C ATOM 781 CZ TYR A 67 12.307 -0.174 -2.389 1.00 0.00 C ATOM 782 OH TYR A 67 13.666 -0.394 -2.317 1.00 0.00 O ATOM 0 H TYR A 67 5.772 1.477 -2.288 1.00 0.00 H new ATOM 0 HA TYR A 67 7.918 1.337 -0.431 1.00 0.00 H new ATOM 0 HB2 TYR A 67 7.553 -0.178 -2.380 1.00 0.00 H new ATOM 0 HB3 TYR A 67 7.868 1.158 -3.469 1.00 0.00 H new ATOM 0 HD1 TYR A 67 9.472 -0.791 -0.700 1.00 0.00 H new ATOM 0 HD2 TYR A 67 10.066 1.584 -4.187 1.00 0.00 H new ATOM 0 HE1 TYR A 67 11.883 -1.242 -0.596 1.00 0.00 H new ATOM 0 HE2 TYR A 67 12.478 1.119 -4.093 1.00 0.00 H new ATOM 0 HH TYR A 67 14.104 0.010 -3.095 1.00 0.00 H new ATOM 792 N GLU A 68 7.987 3.836 -2.605 1.00 0.00 N ATOM 793 CA GLU A 68 8.570 5.153 -2.856 1.00 0.00 C ATOM 794 C GLU A 68 8.428 6.056 -1.633 1.00 0.00 C ATOM 795 O GLU A 68 9.386 6.688 -1.193 1.00 0.00 O ATOM 796 CB GLU A 68 7.892 5.819 -4.054 1.00 0.00 C ATOM 797 CG GLU A 68 7.901 4.975 -5.316 1.00 0.00 C ATOM 798 CD GLU A 68 7.290 5.699 -6.500 1.00 0.00 C ATOM 799 OE1 GLU A 68 6.047 5.769 -6.586 1.00 0.00 O ATOM 800 OE2 GLU A 68 8.047 6.198 -7.354 1.00 0.00 O ATOM 0 H GLU A 68 7.268 3.561 -3.274 1.00 0.00 H new ATOM 0 HA GLU A 68 9.629 5.010 -3.070 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.860 6.051 -3.792 1.00 0.00 H new ATOM 0 HB3 GLU A 68 8.389 6.767 -4.259 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.927 4.695 -5.555 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.352 4.051 -5.136 1.00 0.00 H new ATOM 807 N LEU A 69 7.227 6.091 -1.077 1.00 0.00 N ATOM 808 CA LEU A 69 6.928 6.931 0.075 1.00 0.00 C ATOM 809 C LEU A 69 7.782 6.554 1.289 1.00 0.00 C ATOM 810 O LEU A 69 8.092 7.405 2.126 1.00 0.00 O ATOM 811 CB LEU A 69 5.438 6.843 0.406 1.00 0.00 C ATOM 812 CG LEU A 69 4.508 7.465 -0.640 1.00 0.00 C ATOM 813 CD1 LEU A 69 3.060 7.318 -0.215 1.00 0.00 C ATOM 814 CD2 LEU A 69 4.840 8.935 -0.850 1.00 0.00 C ATOM 0 H LEU A 69 6.435 5.541 -1.409 1.00 0.00 H new ATOM 0 HA LEU A 69 7.176 7.961 -0.181 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.170 5.794 0.532 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.264 7.333 1.364 1.00 0.00 H new ATOM 0 HG LEU A 69 4.656 6.937 -1.582 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.412 7.765 -0.969 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.817 6.261 -0.109 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.908 7.822 0.739 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.167 9.357 -1.597 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.721 9.473 0.091 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.870 9.030 -1.194 1.00 0.00 H new ATOM 826 N MET A 70 8.167 5.285 1.380 1.00 0.00 N ATOM 827 CA MET A 70 9.051 4.828 2.455 1.00 0.00 C ATOM 828 C MET A 70 10.374 5.591 2.429 1.00 0.00 C ATOM 829 O MET A 70 10.791 6.165 3.433 1.00 0.00 O ATOM 830 CB MET A 70 9.351 3.332 2.334 1.00 0.00 C ATOM 831 CG MET A 70 8.154 2.429 2.554 1.00 0.00 C ATOM 832 SD MET A 70 8.570 0.686 2.352 1.00 0.00 S ATOM 833 CE MET A 70 6.954 -0.050 2.530 1.00 0.00 C ATOM 0 H MET A 70 7.884 4.555 0.727 1.00 0.00 H new ATOM 0 HA MET A 70 8.532 5.016 3.395 1.00 0.00 H new ATOM 0 HB2 MET A 70 9.760 3.136 1.343 1.00 0.00 H new ATOM 0 HB3 MET A 70 10.125 3.070 3.056 1.00 0.00 H new ATOM 0 HG2 MET A 70 7.757 2.592 3.556 1.00 0.00 H new ATOM 0 HG3 MET A 70 7.365 2.696 1.851 1.00 0.00 H new ATOM 0 HE1 MET A 70 6.927 -0.654 3.437 1.00 0.00 H new ATOM 0 HE2 MET A 70 6.201 0.736 2.595 1.00 0.00 H new ATOM 0 HE3 MET A 70 6.745 -0.682 1.667 1.00 0.00 H new ATOM 843 N GLN A 71 11.019 5.610 1.265 1.00 0.00 N ATOM 844 CA GLN A 71 12.320 6.257 1.126 1.00 0.00 C ATOM 845 C GLN A 71 12.179 7.773 1.115 1.00 0.00 C ATOM 846 O GLN A 71 13.146 8.495 1.357 1.00 0.00 O ATOM 847 CB GLN A 71 13.048 5.776 -0.136 1.00 0.00 C ATOM 848 CG GLN A 71 12.142 5.606 -1.342 1.00 0.00 C ATOM 849 CD GLN A 71 12.899 5.322 -2.626 1.00 0.00 C ATOM 850 OE1 GLN A 71 14.065 5.934 -2.788 1.00 0.00 O flip ATOM 851 NE2 GLN A 71 12.426 4.580 -3.483 1.00 0.00 N flip ATOM 0 H GLN A 71 10.663 5.186 0.408 1.00 0.00 H new ATOM 0 HA GLN A 71 12.920 5.976 1.991 1.00 0.00 H new ATOM 0 HB2 GLN A 71 13.835 6.488 -0.383 1.00 0.00 H new ATOM 0 HB3 GLN A 71 13.535 4.824 0.078 1.00 0.00 H new ATOM 0 HG2 GLN A 71 11.444 4.790 -1.152 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.547 6.510 -1.471 1.00 0.00 H new ATOM 0 HE21 GLN A 71 11.527 4.126 -3.324 1.00 0.00 H new ATOM 0 HE22 GLN A 71 12.933 4.418 -4.353 1.00 0.00 H new ATOM 860 N GLU A 72 10.975 8.254 0.832 1.00 0.00 N ATOM 861 CA GLU A 72 10.704 9.684 0.893 1.00 0.00 C ATOM 862 C GLU A 72 10.643 10.150 2.339 1.00 0.00 C ATOM 863 O GLU A 72 10.947 11.302 2.645 1.00 0.00 O ATOM 864 CB GLU A 72 9.397 10.031 0.182 1.00 0.00 C ATOM 865 CG GLU A 72 9.422 9.743 -1.307 1.00 0.00 C ATOM 866 CD GLU A 72 8.232 10.319 -2.042 1.00 0.00 C ATOM 867 OE1 GLU A 72 7.999 11.536 -1.935 1.00 0.00 O ATOM 868 OE2 GLU A 72 7.507 9.549 -2.709 1.00 0.00 O ATOM 0 H GLU A 72 10.177 7.680 0.560 1.00 0.00 H new ATOM 0 HA GLU A 72 11.519 10.198 0.383 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.584 9.468 0.639 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.179 11.088 0.336 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.338 10.151 -1.735 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.450 8.664 -1.462 1.00 0.00 H new ATOM 875 N GLY A 73 10.244 9.248 3.224 1.00 0.00 N ATOM 876 CA GLY A 73 10.221 9.565 4.634 1.00 0.00 C ATOM 877 C GLY A 73 8.826 9.874 5.116 1.00 0.00 C ATOM 878 O GLY A 73 8.643 10.581 6.105 1.00 0.00 O ATOM 0 H GLY A 73 9.937 8.304 2.990 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.624 8.726 5.202 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.869 10.420 4.825 1.00 0.00 H new ATOM 882 N LYS A 74 7.840 9.342 4.411 1.00 0.00 N ATOM 883 CA LYS A 74 6.450 9.541 4.777 1.00 0.00 C ATOM 884 C LYS A 74 6.123 8.717 6.019 1.00 0.00 C ATOM 885 O LYS A 74 6.779 7.714 6.304 1.00 0.00 O ATOM 886 CB LYS A 74 5.534 9.114 3.631 1.00 0.00 C ATOM 887 CG LYS A 74 5.975 9.618 2.264 1.00 0.00 C ATOM 888 CD LYS A 74 5.701 11.096 2.087 1.00 0.00 C ATOM 889 CE LYS A 74 6.558 11.685 0.986 1.00 0.00 C ATOM 890 NZ LYS A 74 6.538 13.172 0.991 1.00 0.00 N ATOM 0 H LYS A 74 7.979 8.768 3.580 1.00 0.00 H new ATOM 0 HA LYS A 74 6.291 10.599 4.985 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.484 8.025 3.606 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.525 9.475 3.832 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.041 9.429 2.135 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.456 9.058 1.487 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.648 11.247 1.852 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.897 11.619 3.023 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.584 11.337 1.102 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.206 11.322 0.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.138 13.530 0.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.563 13.507 0.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.899 13.521 1.902 1.00 0.00 H new ATOM 904 N SER A 75 5.107 9.140 6.737 1.00 0.00 N ATOM 905 CA SER A 75 4.653 8.437 7.927 1.00 0.00 C ATOM 906 C SER A 75 3.577 7.434 7.540 1.00 0.00 C ATOM 907 O SER A 75 3.101 7.465 6.414 1.00 0.00 O ATOM 908 CB SER A 75 4.119 9.440 8.944 1.00 0.00 C ATOM 909 OG SER A 75 5.121 10.381 9.287 1.00 0.00 O ATOM 0 H SER A 75 4.570 9.979 6.517 1.00 0.00 H new ATOM 0 HA SER A 75 5.486 7.899 8.380 1.00 0.00 H new ATOM 0 HB2 SER A 75 3.252 9.957 8.533 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.783 8.916 9.839 1.00 0.00 H new ATOM 0 HG SER A 75 4.762 11.018 9.939 1.00 0.00 H new ATOM 915 N LYS A 76 3.188 6.549 8.450 1.00 0.00 N ATOM 916 CA LYS A 76 2.210 5.509 8.121 1.00 0.00 C ATOM 917 C LYS A 76 0.917 6.119 7.587 1.00 0.00 C ATOM 918 O LYS A 76 0.464 5.774 6.496 1.00 0.00 O ATOM 919 CB LYS A 76 1.922 4.618 9.328 1.00 0.00 C ATOM 920 CG LYS A 76 2.858 3.422 9.464 1.00 0.00 C ATOM 921 CD LYS A 76 4.293 3.824 9.786 1.00 0.00 C ATOM 922 CE LYS A 76 5.124 4.057 8.534 1.00 0.00 C ATOM 923 NZ LYS A 76 6.528 4.408 8.870 1.00 0.00 N ATOM 0 H LYS A 76 3.528 6.526 9.412 1.00 0.00 H new ATOM 0 HA LYS A 76 2.644 4.888 7.337 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.988 5.221 10.234 1.00 0.00 H new ATOM 0 HB3 LYS A 76 0.896 4.256 9.261 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.486 2.763 10.249 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.846 2.850 8.536 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.287 4.732 10.389 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.759 3.045 10.389 1.00 0.00 H new ATOM 0 HE2 LYS A 76 5.110 3.160 7.915 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.679 4.858 7.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.067 4.560 7.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.541 5.278 9.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.960 3.632 9.412 1.00 0.00 H new ATOM 937 N LYS A 77 0.344 7.041 8.350 1.00 0.00 N ATOM 938 CA LYS A 77 -0.856 7.753 7.922 1.00 0.00 C ATOM 939 C LYS A 77 -0.556 8.582 6.685 1.00 0.00 C ATOM 940 O LYS A 77 -1.375 8.686 5.784 1.00 0.00 O ATOM 941 CB LYS A 77 -1.361 8.667 9.043 1.00 0.00 C ATOM 942 CG LYS A 77 -1.420 7.987 10.396 1.00 0.00 C ATOM 943 CD LYS A 77 -2.303 6.754 10.353 1.00 0.00 C ATOM 944 CE LYS A 77 -2.310 6.019 11.681 1.00 0.00 C ATOM 945 NZ LYS A 77 -3.286 4.899 11.678 1.00 0.00 N ATOM 0 H LYS A 77 0.690 7.314 9.270 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.628 7.021 7.686 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.710 9.539 9.111 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.355 9.031 8.784 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.414 7.706 10.709 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.802 8.685 11.140 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -3.321 7.045 10.093 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.953 6.083 9.568 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.312 5.633 11.890 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -2.556 6.716 12.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -4.083 5.131 12.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.638 4.748 10.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -2.821 4.032 12.016 1.00 0.00 H new ATOM 959 N GLU A 78 0.634 9.155 6.660 1.00 0.00 N ATOM 960 CA GLU A 78 1.077 9.984 5.547 1.00 0.00 C ATOM 961 C GLU A 78 1.150 9.185 4.241 1.00 0.00 C ATOM 962 O GLU A 78 0.761 9.685 3.194 1.00 0.00 O ATOM 963 CB GLU A 78 2.433 10.603 5.887 1.00 0.00 C ATOM 964 CG GLU A 78 3.038 11.449 4.782 1.00 0.00 C ATOM 965 CD GLU A 78 2.271 12.728 4.536 1.00 0.00 C ATOM 966 OE1 GLU A 78 2.445 13.691 5.303 1.00 0.00 O ATOM 967 OE2 GLU A 78 1.469 12.764 3.579 1.00 0.00 O ATOM 0 H GLU A 78 1.321 9.061 7.408 1.00 0.00 H new ATOM 0 HA GLU A 78 0.347 10.778 5.391 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.322 11.220 6.779 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.130 9.803 6.137 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.068 11.693 5.040 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.069 10.867 3.861 1.00 0.00 H new ATOM 974 N ILE A 79 1.640 7.945 4.301 1.00 0.00 N ATOM 975 CA ILE A 79 1.689 7.099 3.110 1.00 0.00 C ATOM 976 C ILE A 79 0.280 6.870 2.562 1.00 0.00 C ATOM 977 O ILE A 79 0.016 7.131 1.391 1.00 0.00 O ATOM 978 CB ILE A 79 2.377 5.726 3.360 1.00 0.00 C ATOM 979 CG1 ILE A 79 3.899 5.827 3.190 1.00 0.00 C ATOM 980 CG2 ILE A 79 1.837 4.671 2.402 1.00 0.00 C ATOM 981 CD1 ILE A 79 4.684 5.795 4.485 1.00 0.00 C ATOM 0 H ILE A 79 2.003 7.510 5.149 1.00 0.00 H new ATOM 0 HA ILE A 79 2.296 7.635 2.380 1.00 0.00 H new ATOM 0 HB ILE A 79 2.154 5.434 4.386 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.235 5.006 2.557 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.131 6.752 2.663 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.331 3.719 2.594 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.763 4.559 2.552 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.030 4.980 1.375 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.749 5.872 4.267 1.00 0.00 H new ATOM 0 HD12 ILE A 79 4.381 6.632 5.115 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.487 4.858 5.007 1.00 0.00 H new ATOM 993 N VAL A 80 -0.631 6.419 3.418 1.00 0.00 N ATOM 994 CA VAL A 80 -1.990 6.126 2.981 1.00 0.00 C ATOM 995 C VAL A 80 -2.735 7.409 2.610 1.00 0.00 C ATOM 996 O VAL A 80 -3.526 7.431 1.662 1.00 0.00 O ATOM 997 CB VAL A 80 -2.786 5.316 4.034 1.00 0.00 C ATOM 998 CG1 VAL A 80 -2.632 5.907 5.422 1.00 0.00 C ATOM 999 CG2 VAL A 80 -4.249 5.255 3.655 1.00 0.00 C ATOM 0 H VAL A 80 -0.455 6.250 4.408 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.907 5.502 2.091 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.378 4.305 4.052 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.204 5.314 6.136 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.580 5.901 5.705 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.002 6.932 5.424 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.795 4.682 4.404 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.654 6.266 3.604 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.353 4.773 2.683 1.00 0.00 H new ATOM 1009 N ASP A 81 -2.455 8.484 3.333 1.00 0.00 N ATOM 1010 CA ASP A 81 -3.042 9.783 3.033 1.00 0.00 C ATOM 1011 C ASP A 81 -2.558 10.262 1.672 1.00 0.00 C ATOM 1012 O ASP A 81 -3.322 10.809 0.881 1.00 0.00 O ATOM 1013 CB ASP A 81 -2.677 10.797 4.118 1.00 0.00 C ATOM 1014 CG ASP A 81 -3.380 12.128 3.946 1.00 0.00 C ATOM 1015 OD1 ASP A 81 -2.847 12.994 3.217 1.00 0.00 O ATOM 1016 OD2 ASP A 81 -4.472 12.311 4.515 1.00 0.00 O ATOM 0 H ASP A 81 -1.823 8.482 4.134 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.127 9.686 3.009 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -2.929 10.383 5.094 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.599 10.958 4.109 1.00 0.00 H new ATOM 1021 N TYR A 82 -1.283 10.008 1.395 1.00 0.00 N ATOM 1022 CA TYR A 82 -0.687 10.342 0.108 1.00 0.00 C ATOM 1023 C TYR A 82 -1.373 9.547 -0.990 1.00 0.00 C ATOM 1024 O TYR A 82 -1.655 10.064 -2.077 1.00 0.00 O ATOM 1025 CB TYR A 82 0.807 10.011 0.100 1.00 0.00 C ATOM 1026 CG TYR A 82 1.635 10.962 -0.730 1.00 0.00 C ATOM 1027 CD1 TYR A 82 1.814 10.755 -2.092 1.00 0.00 C ATOM 1028 CD2 TYR A 82 2.234 12.073 -0.152 1.00 0.00 C ATOM 1029 CE1 TYR A 82 2.568 11.628 -2.851 1.00 0.00 C ATOM 1030 CE2 TYR A 82 2.988 12.950 -0.905 1.00 0.00 C ATOM 1031 CZ TYR A 82 3.152 12.722 -2.252 1.00 0.00 C ATOM 1032 OH TYR A 82 3.903 13.596 -3.001 1.00 0.00 O ATOM 0 H TYR A 82 -0.638 9.568 2.052 1.00 0.00 H new ATOM 0 HA TYR A 82 -0.815 11.411 -0.063 1.00 0.00 H new ATOM 0 HB2 TYR A 82 1.178 10.020 1.125 1.00 0.00 H new ATOM 0 HB3 TYR A 82 0.944 8.998 -0.279 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.356 9.898 -2.564 1.00 0.00 H new ATOM 0 HD2 TYR A 82 2.108 12.254 0.905 1.00 0.00 H new ATOM 0 HE1 TYR A 82 2.699 11.454 -3.909 1.00 0.00 H new ATOM 0 HE2 TYR A 82 3.447 13.810 -0.440 1.00 0.00 H new ATOM 0 HH TYR A 82 4.242 14.313 -2.425 1.00 0.00 H new ATOM 1042 N MET A 83 -1.636 8.282 -0.681 1.00 0.00 N ATOM 1043 CA MET A 83 -2.310 7.379 -1.600 1.00 0.00 C ATOM 1044 C MET A 83 -3.671 7.926 -1.986 1.00 0.00 C ATOM 1045 O MET A 83 -3.952 8.122 -3.159 1.00 0.00 O ATOM 1046 CB MET A 83 -2.485 6.001 -0.961 1.00 0.00 C ATOM 1047 CG MET A 83 -1.181 5.284 -0.675 1.00 0.00 C ATOM 1048 SD MET A 83 -0.272 4.880 -2.174 1.00 0.00 S ATOM 1049 CE MET A 83 -1.494 3.908 -3.040 1.00 0.00 C ATOM 0 H MET A 83 -1.388 7.857 0.212 1.00 0.00 H new ATOM 0 HA MET A 83 -1.694 7.289 -2.494 1.00 0.00 H new ATOM 0 HB2 MET A 83 -3.039 6.112 -0.029 1.00 0.00 H new ATOM 0 HB3 MET A 83 -3.092 5.381 -1.620 1.00 0.00 H new ATOM 0 HG2 MET A 83 -0.559 5.910 -0.035 1.00 0.00 H new ATOM 0 HG3 MET A 83 -1.388 4.368 -0.122 1.00 0.00 H new ATOM 0 HE1 MET A 83 -1.047 3.475 -3.935 1.00 0.00 H new ATOM 0 HE2 MET A 83 -1.851 3.109 -2.390 1.00 0.00 H new ATOM 0 HE3 MET A 83 -2.331 4.546 -3.325 1.00 0.00 H new ATOM 1059 N VAL A 84 -4.509 8.183 -0.993 1.00 0.00 N ATOM 1060 CA VAL A 84 -5.863 8.671 -1.259 1.00 0.00 C ATOM 1061 C VAL A 84 -5.836 10.057 -1.887 1.00 0.00 C ATOM 1062 O VAL A 84 -6.731 10.422 -2.648 1.00 0.00 O ATOM 1063 CB VAL A 84 -6.748 8.701 0.010 1.00 0.00 C ATOM 1064 CG1 VAL A 84 -6.625 7.401 0.773 1.00 0.00 C ATOM 1065 CG2 VAL A 84 -6.427 9.893 0.906 1.00 0.00 C ATOM 0 H VAL A 84 -4.284 8.065 -0.005 1.00 0.00 H new ATOM 0 HA VAL A 84 -6.304 7.962 -1.959 1.00 0.00 H new ATOM 0 HB VAL A 84 -7.782 8.818 -0.315 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -7.254 7.440 1.662 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -6.945 6.575 0.138 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.587 7.250 1.069 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -7.073 9.873 1.784 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -5.385 9.841 1.221 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -6.594 10.818 0.354 1.00 0.00 H new ATOM 1075 N ALA A 85 -4.813 10.827 -1.557 1.00 0.00 N ATOM 1076 CA ALA A 85 -4.688 12.171 -2.075 1.00 0.00 C ATOM 1077 C ALA A 85 -4.390 12.154 -3.575 1.00 0.00 C ATOM 1078 O ALA A 85 -5.075 12.808 -4.360 1.00 0.00 O ATOM 1079 CB ALA A 85 -3.604 12.920 -1.319 1.00 0.00 C ATOM 0 H ALA A 85 -4.059 10.541 -0.932 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.637 12.688 -1.931 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.516 13.932 -1.716 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.864 12.966 -0.261 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.653 12.401 -1.437 1.00 0.00 H new ATOM 1085 N ARG A 86 -3.380 11.385 -3.970 1.00 0.00 N ATOM 1086 CA ARG A 86 -2.952 11.340 -5.370 1.00 0.00 C ATOM 1087 C ARG A 86 -3.728 10.292 -6.168 1.00 0.00 C ATOM 1088 O ARG A 86 -4.203 10.561 -7.272 1.00 0.00 O ATOM 1089 CB ARG A 86 -1.445 11.061 -5.472 1.00 0.00 C ATOM 1090 CG ARG A 86 -0.569 12.294 -5.299 1.00 0.00 C ATOM 1091 CD ARG A 86 -0.615 12.825 -3.876 1.00 0.00 C ATOM 1092 NE ARG A 86 0.078 14.107 -3.746 1.00 0.00 N ATOM 1093 CZ ARG A 86 -0.176 15.001 -2.790 1.00 0.00 C ATOM 1094 NH1 ARG A 86 -1.052 14.727 -1.835 1.00 0.00 N ATOM 1095 NH2 ARG A 86 0.463 16.162 -2.782 1.00 0.00 N ATOM 0 H ARG A 86 -2.842 10.785 -3.345 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.164 12.319 -5.800 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.171 10.325 -4.716 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.235 10.613 -6.443 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.460 12.048 -5.562 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.897 13.072 -5.988 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.653 12.941 -3.566 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.161 12.098 -3.203 1.00 0.00 H new ATOM 0 HE ARG A 86 0.801 14.331 -4.430 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.536 13.829 -1.829 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.243 15.414 -1.106 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.149 16.372 -3.507 1.00 0.00 H new ATOM 0 HH22 ARG A 86 0.269 16.846 -2.051 1.00 0.00 H new ATOM 1109 N TYR A 87 -3.871 9.109 -5.592 1.00 0.00 N ATOM 1110 CA TYR A 87 -4.514 7.983 -6.264 1.00 0.00 C ATOM 1111 C TYR A 87 -5.969 7.844 -5.830 1.00 0.00 C ATOM 1112 O TYR A 87 -6.531 6.746 -5.845 1.00 0.00 O ATOM 1113 CB TYR A 87 -3.765 6.683 -5.954 1.00 0.00 C ATOM 1114 CG TYR A 87 -2.381 6.586 -6.557 1.00 0.00 C ATOM 1115 CD1 TYR A 87 -1.267 7.103 -5.902 1.00 0.00 C ATOM 1116 CD2 TYR A 87 -2.186 5.953 -7.777 1.00 0.00 C ATOM 1117 CE1 TYR A 87 -0.001 6.988 -6.448 1.00 0.00 C ATOM 1118 CE2 TYR A 87 -0.927 5.837 -8.328 1.00 0.00 C ATOM 1119 CZ TYR A 87 0.162 6.356 -7.661 1.00 0.00 C ATOM 1120 OH TYR A 87 1.417 6.228 -8.207 1.00 0.00 O ATOM 0 H TYR A 87 -3.547 8.899 -4.648 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.486 8.174 -7.337 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -3.682 6.578 -4.872 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -4.361 5.843 -6.312 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -1.393 7.602 -4.952 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -3.035 5.544 -8.304 1.00 0.00 H new ATOM 0 HE1 TYR A 87 0.854 7.391 -5.926 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -0.795 5.341 -9.278 1.00 0.00 H new ATOM 0 HH TYR A 87 1.354 5.757 -9.064 1.00 0.00 H new ATOM 1130 N GLY A 88 -6.593 8.958 -5.482 1.00 0.00 N ATOM 1131 CA GLY A 88 -7.949 8.922 -4.960 1.00 0.00 C ATOM 1132 C GLY A 88 -9.000 8.660 -6.026 1.00 0.00 C ATOM 1133 O GLY A 88 -10.192 8.867 -5.802 1.00 0.00 O ATOM 0 H GLY A 88 -6.186 9.891 -5.551 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -8.016 8.147 -4.196 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.167 9.871 -4.471 1.00 0.00 H new ATOM 1137 N ASN A 89 -8.560 8.210 -7.191 1.00 0.00 N ATOM 1138 CA ASN A 89 -9.472 7.809 -8.247 1.00 0.00 C ATOM 1139 C ASN A 89 -9.781 6.327 -8.106 1.00 0.00 C ATOM 1140 O ASN A 89 -10.677 5.792 -8.759 1.00 0.00 O ATOM 1141 CB ASN A 89 -8.865 8.088 -9.622 1.00 0.00 C ATOM 1142 CG ASN A 89 -8.546 9.556 -9.842 1.00 0.00 C ATOM 1143 OD1 ASN A 89 -9.359 10.443 -9.283 1.00 0.00 O flip ATOM 1144 ND2 ASN A 89 -7.577 9.891 -10.522 1.00 0.00 N flip ATOM 0 H ASN A 89 -7.573 8.114 -7.428 1.00 0.00 H new ATOM 0 HA ASN A 89 -10.392 8.387 -8.158 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -7.953 7.502 -9.736 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -9.558 7.753 -10.394 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -6.974 9.180 -10.936 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -7.376 10.880 -10.672 1.00 0.00 H new ATOM 1151 N PHE A 90 -9.028 5.676 -7.232 1.00 0.00 N ATOM 1152 CA PHE A 90 -9.194 4.254 -6.978 1.00 0.00 C ATOM 1153 C PHE A 90 -9.120 3.969 -5.480 1.00 0.00 C ATOM 1154 O PHE A 90 -9.934 3.226 -4.940 1.00 0.00 O ATOM 1155 CB PHE A 90 -8.123 3.445 -7.726 1.00 0.00 C ATOM 1156 CG PHE A 90 -8.253 1.954 -7.559 1.00 0.00 C ATOM 1157 CD1 PHE A 90 -7.634 1.302 -6.504 1.00 0.00 C ATOM 1158 CD2 PHE A 90 -8.989 1.204 -8.462 1.00 0.00 C ATOM 1159 CE1 PHE A 90 -7.750 -0.067 -6.350 1.00 0.00 C ATOM 1160 CE2 PHE A 90 -9.108 -0.166 -8.313 1.00 0.00 C ATOM 1161 CZ PHE A 90 -8.486 -0.801 -7.256 1.00 0.00 C ATOM 0 H PHE A 90 -8.290 6.116 -6.682 1.00 0.00 H new ATOM 0 HA PHE A 90 -10.176 3.952 -7.343 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -8.175 3.687 -8.787 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -7.138 3.755 -7.376 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -7.053 1.871 -5.793 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -9.475 1.695 -9.292 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -7.265 -0.561 -5.521 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -9.687 -0.739 -9.023 1.00 0.00 H new ATOM 0 HZ PHE A 90 -8.576 -1.871 -7.139 1.00 0.00 H new ATOM 1171 N VAL A 91 -8.152 4.581 -4.810 1.00 0.00 N ATOM 1172 CA VAL A 91 -7.902 4.290 -3.404 1.00 0.00 C ATOM 1173 C VAL A 91 -8.649 5.279 -2.505 1.00 0.00 C ATOM 1174 O VAL A 91 -9.005 6.377 -2.938 1.00 0.00 O ATOM 1175 CB VAL A 91 -6.380 4.307 -3.084 1.00 0.00 C ATOM 1176 CG1 VAL A 91 -5.558 4.236 -4.360 1.00 0.00 C ATOM 1177 CG2 VAL A 91 -5.983 5.529 -2.278 1.00 0.00 C ATOM 0 H VAL A 91 -7.529 5.280 -5.216 1.00 0.00 H new ATOM 0 HA VAL A 91 -8.276 3.286 -3.203 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.173 3.425 -2.478 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.497 4.249 -4.111 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.794 3.315 -4.894 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.793 5.092 -4.992 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.912 5.500 -2.077 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.222 6.430 -2.842 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.529 5.536 -1.335 1.00 0.00 H new ATOM 1187 N THR A 92 -8.899 4.877 -1.265 1.00 0.00 N ATOM 1188 CA THR A 92 -9.614 5.711 -0.308 1.00 0.00 C ATOM 1189 C THR A 92 -9.220 5.337 1.122 1.00 0.00 C ATOM 1190 O THR A 92 -8.815 4.209 1.379 1.00 0.00 O ATOM 1191 CB THR A 92 -11.141 5.542 -0.498 1.00 0.00 C ATOM 1192 OG1 THR A 92 -11.520 5.951 -1.820 1.00 0.00 O ATOM 1193 CG2 THR A 92 -11.932 6.340 0.524 1.00 0.00 C ATOM 0 H THR A 92 -8.614 3.970 -0.896 1.00 0.00 H new ATOM 0 HA THR A 92 -9.346 6.753 -0.483 1.00 0.00 H new ATOM 0 HB THR A 92 -11.372 4.487 -0.354 1.00 0.00 H new ATOM 0 HG1 THR A 92 -12.487 5.839 -1.932 1.00 0.00 H new ATOM 0 HG21 THR A 92 -12.999 6.193 0.354 1.00 0.00 H new ATOM 0 HG22 THR A 92 -11.674 6.002 1.528 1.00 0.00 H new ATOM 0 HG23 THR A 92 -11.692 7.398 0.424 1.00 0.00 H new ATOM 1201 N TYR A 93 -9.292 6.289 2.041 1.00 0.00 N ATOM 1202 CA TYR A 93 -9.018 6.004 3.436 1.00 0.00 C ATOM 1203 C TYR A 93 -10.325 6.059 4.218 1.00 0.00 C ATOM 1204 O TYR A 93 -10.854 7.134 4.498 1.00 0.00 O ATOM 1205 CB TYR A 93 -7.994 7.002 3.986 1.00 0.00 C ATOM 1206 CG TYR A 93 -7.447 6.640 5.349 1.00 0.00 C ATOM 1207 CD1 TYR A 93 -7.020 5.347 5.616 1.00 0.00 C ATOM 1208 CD2 TYR A 93 -7.338 7.590 6.356 1.00 0.00 C ATOM 1209 CE1 TYR A 93 -6.499 5.008 6.847 1.00 0.00 C ATOM 1210 CE2 TYR A 93 -6.820 7.257 7.593 1.00 0.00 C ATOM 1211 CZ TYR A 93 -6.402 5.964 7.833 1.00 0.00 C ATOM 1212 OH TYR A 93 -5.876 5.629 9.060 1.00 0.00 O ATOM 0 H TYR A 93 -9.537 7.259 1.844 1.00 0.00 H new ATOM 0 HA TYR A 93 -8.591 5.006 3.538 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -7.165 7.080 3.283 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -8.457 7.987 4.042 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -7.097 4.593 4.846 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.663 8.603 6.170 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.169 3.997 7.037 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.743 8.005 8.368 1.00 0.00 H new ATOM 0 HH TYR A 93 -4.996 5.216 8.937 1.00 0.00 H new ATOM 1222 N ASP A 94 -10.834 4.886 4.564 1.00 0.00 N ATOM 1223 CA ASP A 94 -12.166 4.751 5.147 1.00 0.00 C ATOM 1224 C ASP A 94 -12.270 3.431 5.892 1.00 0.00 C ATOM 1225 O ASP A 94 -11.435 2.548 5.690 1.00 0.00 O ATOM 1226 CB ASP A 94 -13.234 4.801 4.047 1.00 0.00 C ATOM 1227 CG ASP A 94 -14.026 6.095 4.033 1.00 0.00 C ATOM 1228 OD1 ASP A 94 -14.980 6.219 4.824 1.00 0.00 O ATOM 1229 OD2 ASP A 94 -13.718 6.978 3.206 1.00 0.00 O ATOM 0 H ASP A 94 -10.339 4.001 4.450 1.00 0.00 H new ATOM 0 HA ASP A 94 -12.330 5.576 5.841 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -12.753 4.668 3.078 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -13.921 3.965 4.180 1.00 0.00 H new ATOM 1234 N PRO A 95 -13.264 3.288 6.788 1.00 0.00 N ATOM 1235 CA PRO A 95 -13.575 2.008 7.435 1.00 0.00 C ATOM 1236 C PRO A 95 -13.683 0.871 6.416 1.00 0.00 C ATOM 1237 O PRO A 95 -14.240 1.047 5.328 1.00 0.00 O ATOM 1238 CB PRO A 95 -14.936 2.259 8.107 1.00 0.00 C ATOM 1239 CG PRO A 95 -15.402 3.586 7.603 1.00 0.00 C ATOM 1240 CD PRO A 95 -14.163 4.350 7.252 1.00 0.00 C ATOM 0 HA PRO A 95 -12.798 1.702 8.135 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -15.648 1.473 7.854 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -14.841 2.265 9.193 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -16.048 3.468 6.733 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -15.982 4.110 8.362 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -14.349 5.093 6.477 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.755 4.882 8.112 1.00 0.00 H new ATOM 1248 N PRO A 96 -13.143 -0.312 6.753 1.00 0.00 N ATOM 1249 CA PRO A 96 -13.090 -1.445 5.842 1.00 0.00 C ATOM 1250 C PRO A 96 -14.389 -2.252 5.831 1.00 0.00 C ATOM 1251 O PRO A 96 -15.444 -1.756 6.227 1.00 0.00 O ATOM 1252 CB PRO A 96 -11.924 -2.287 6.380 1.00 0.00 C ATOM 1253 CG PRO A 96 -11.570 -1.734 7.730 1.00 0.00 C ATOM 1254 CD PRO A 96 -12.553 -0.643 8.053 1.00 0.00 C ATOM 0 HA PRO A 96 -12.955 -1.128 4.808 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -12.209 -3.336 6.456 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -11.069 -2.237 5.706 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -11.608 -2.518 8.486 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -10.553 -1.343 7.728 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -13.309 -0.982 8.761 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -12.061 0.220 8.501 1.00 0.00 H new ATOM 1262 N LEU A 97 -14.302 -3.505 5.398 1.00 0.00 N ATOM 1263 CA LEU A 97 -15.481 -4.355 5.251 1.00 0.00 C ATOM 1264 C LEU A 97 -15.891 -4.953 6.592 1.00 0.00 C ATOM 1265 O LEU A 97 -16.771 -5.810 6.660 1.00 0.00 O ATOM 1266 CB LEU A 97 -15.214 -5.484 4.248 1.00 0.00 C ATOM 1267 CG LEU A 97 -15.105 -5.070 2.773 1.00 0.00 C ATOM 1268 CD1 LEU A 97 -16.304 -4.230 2.358 1.00 0.00 C ATOM 1269 CD2 LEU A 97 -13.810 -4.321 2.499 1.00 0.00 C ATOM 0 H LEU A 97 -13.424 -3.957 5.141 1.00 0.00 H new ATOM 0 HA LEU A 97 -16.294 -3.731 4.879 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -14.288 -5.983 4.533 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -16.014 -6.219 4.339 1.00 0.00 H new ATOM 0 HG LEU A 97 -15.096 -5.982 2.176 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -16.205 -3.948 1.310 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -17.218 -4.808 2.494 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -16.349 -3.331 2.973 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -13.766 -4.043 1.446 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -13.773 -3.421 3.113 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -12.961 -4.961 2.741 1.00 0.00 H new ATOM 1281 N THR A 98 -15.236 -4.498 7.646 1.00 0.00 N ATOM 1282 CA THR A 98 -15.540 -4.940 8.994 1.00 0.00 C ATOM 1283 C THR A 98 -17.018 -4.692 9.328 1.00 0.00 C ATOM 1284 O THR A 98 -17.556 -3.617 9.047 1.00 0.00 O ATOM 1285 CB THR A 98 -14.626 -4.222 10.021 1.00 0.00 C ATOM 1286 OG1 THR A 98 -14.803 -4.774 11.332 1.00 0.00 O ATOM 1287 CG2 THR A 98 -14.901 -2.726 10.063 1.00 0.00 C ATOM 0 H THR A 98 -14.481 -3.814 7.591 1.00 0.00 H new ATOM 0 HA THR A 98 -15.351 -6.012 9.051 1.00 0.00 H new ATOM 0 HB THR A 98 -13.597 -4.378 9.698 1.00 0.00 H new ATOM 0 HG1 THR A 98 -14.217 -4.309 11.965 1.00 0.00 H new ATOM 0 HG21 THR A 98 -14.243 -2.255 10.793 1.00 0.00 H new ATOM 0 HG22 THR A 98 -14.718 -2.295 9.079 1.00 0.00 H new ATOM 0 HG23 THR A 98 -15.939 -2.555 10.347 1.00 0.00 H new ATOM 1295 N PRO A 99 -17.704 -5.706 9.881 1.00 0.00 N ATOM 1296 CA PRO A 99 -19.106 -5.577 10.299 1.00 0.00 C ATOM 1297 C PRO A 99 -19.276 -4.636 11.493 1.00 0.00 C ATOM 1298 O PRO A 99 -19.066 -5.080 12.640 1.00 0.00 O ATOM 1299 CB PRO A 99 -19.507 -7.008 10.677 1.00 0.00 C ATOM 1300 CG PRO A 99 -18.226 -7.708 10.979 1.00 0.00 C ATOM 1301 CD PRO A 99 -17.178 -7.066 10.111 1.00 0.00 C ATOM 0 HA PRO A 99 -19.724 -5.146 9.511 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -20.172 -7.015 11.540 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -20.039 -7.496 9.861 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -17.970 -7.611 12.034 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -18.306 -8.774 10.767 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -16.207 -7.042 10.606 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -17.045 -7.608 9.175 1.00 0.00 H new TER 1309 PRO A 99