USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 752 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 ASN : amide:sc= 0.527 K(o=0.7,f=-6.9!) USER MOD Set 1.2: A 85 LYS NZ :NH3+ -128:sc= 0.174 (180deg=-1.36) USER MOD Set 2.1: A 64 MET CE :methyl 158:sc=-0.00446 (180deg=0) USER MOD Set 2.2: A 68 GLN : amide:sc= -0.152 X(o=-0.16,f=-0.19) USER MOD Set 3.1: A 40 ASN : amide:sc= -1.95 K(o=-1.1,f=-5.5!) USER MOD Set 3.2: A 59 GLN : amide:sc= 0.804 K(o=-1.1,f=-1.7) USER MOD Set 4.1: A 4 HIS : no HD1:sc=-0.00671 X(o=-0.63,f=-0.62) USER MOD Set 4.2: A 5 HIS : no HD1:sc= -0.623! C(o=-0.63!,f=-0.7!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -131:sc= 0.0654 (180deg=-0.905) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 6 HIS : no HD1:sc= -1.01! C(o=-1!,f=-4.1!) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.0408 X(o=-0.041,f=-0.22) USER MOD Single : A 9 MET CE :methyl -150:sc= -0.118 (180deg=-1.38) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.358 USER MOD Single : A 20 HIS : no HD1:sc= -0.818 X(o=-0.82,f=-0.88) USER MOD Single : A 21 THR OG1 : rot -110:sc= -1.45 USER MOD Single : A 25 SER OG : rot 180:sc= -0.705 USER MOD Single : A 27 MET CE :methyl -175:sc= 0 (180deg=-0.0686) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= -0.479 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0.00466 USER MOD Single : A 39 ASN : amide:sc= -0.467 K(o=-0.47,f=-1.3) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.466 K(o=-0.47,f=-4.3!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.00911 USER MOD Single : A 50 GLN : amide:sc= -3.85! C(o=-3.8!,f=-3.9!) USER MOD Single : A 51 GLN : amide:sc= -2.09 K(o=-2.1,f=-4.2!) USER MOD Single : A 52 ASN : amide:sc= -2.05 K(o=-2,f=-5.7!) USER MOD Single : A 61 SER OG : rot 180:sc= 0.106 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -6:sc= 0.786 USER MOD Single : A 71 GLN : amide:sc= -0.647 K(o=-0.65,f=-0.062) USER MOD Single : A 74 GLN : amide:sc= -4.29 K(o=-4.3,f=-5.2!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc=-0.00532 X(o=-0.0053,f=-0.047) USER MOD Single : A 81 LYS NZ :NH3+ -141:sc= -1.26 (180deg=-2.52) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0507 USER MOD Single : A 93 LYS NZ :NH3+ 165:sc= -0.59 (180deg=-0.934) USER MOD Single : A 94 SER OG : rot 68:sc= 0.379 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.777 12.599 -2.592 1.00 1.00 N ATOM 2 CA MET A 1 16.809 12.497 -3.719 1.00 1.00 C ATOM 3 C MET A 1 15.926 11.269 -3.521 1.00 1.00 C ATOM 4 O MET A 1 16.366 10.260 -2.966 1.00 1.00 O ATOM 5 CB MET A 1 17.574 12.381 -5.039 1.00 1.00 C ATOM 6 CG MET A 1 18.600 13.512 -5.135 1.00 1.00 C ATOM 7 SD MET A 1 20.266 12.837 -4.914 1.00 1.00 S ATOM 8 CE MET A 1 21.179 14.334 -5.361 1.00 1.00 C ATOM 0 H1 MET A 1 17.765 13.566 -2.210 1.00 1.00 H new ATOM 0 H2 MET A 1 17.510 11.928 -1.844 1.00 1.00 H new ATOM 0 H3 MET A 1 18.733 12.374 -2.934 1.00 1.00 H new ATOM 0 HA MET A 1 16.182 13.388 -3.745 1.00 1.00 H new ATOM 0 HB2 MET A 1 18.075 11.415 -5.097 1.00 1.00 H new ATOM 0 HB3 MET A 1 16.881 12.432 -5.879 1.00 1.00 H new ATOM 0 HG2 MET A 1 18.522 14.007 -6.103 1.00 1.00 H new ATOM 0 HG3 MET A 1 18.398 14.266 -4.374 1.00 1.00 H new ATOM 0 HE1 MET A 1 22.250 14.141 -5.292 1.00 1.00 H new ATOM 0 HE2 MET A 1 20.927 14.623 -6.381 1.00 1.00 H new ATOM 0 HE3 MET A 1 20.911 15.141 -4.679 1.00 1.00 H new ATOM 20 N GLY A 2 14.682 11.360 -3.975 1.00 1.00 N ATOM 21 CA GLY A 2 13.747 10.250 -3.841 1.00 1.00 C ATOM 22 C GLY A 2 13.413 9.992 -2.376 1.00 1.00 C ATOM 23 O GLY A 2 13.010 8.889 -2.005 1.00 1.00 O ATOM 0 H GLY A 2 14.299 12.185 -4.436 1.00 1.00 H new ATOM 0 HA2 GLY A 2 12.833 10.471 -4.393 1.00 1.00 H new ATOM 0 HA3 GLY A 2 14.177 9.352 -4.283 1.00 1.00 H new ATOM 27 N HIS A 3 13.582 11.017 -1.547 1.00 1.00 N ATOM 28 CA HIS A 3 13.296 10.889 -0.122 1.00 1.00 C ATOM 29 C HIS A 3 13.010 12.256 0.492 1.00 1.00 C ATOM 30 O HIS A 3 13.928 12.972 0.890 1.00 1.00 O ATOM 31 CB HIS A 3 14.484 10.245 0.595 1.00 1.00 C ATOM 32 CG HIS A 3 14.038 9.720 1.932 1.00 1.00 C ATOM 33 ND1 HIS A 3 13.181 8.637 2.054 1.00 1.00 N ATOM 34 CD2 HIS A 3 14.321 10.120 3.215 1.00 1.00 C ATOM 35 CE1 HIS A 3 12.981 8.424 3.367 1.00 1.00 C ATOM 36 NE2 HIS A 3 13.653 9.299 4.120 1.00 1.00 N ATOM 0 H HIS A 3 13.913 11.938 -1.834 1.00 1.00 H new ATOM 0 HA HIS A 3 12.415 10.258 -0.004 1.00 1.00 H new ATOM 0 HB2 HIS A 3 14.891 9.434 -0.009 1.00 1.00 H new ATOM 0 HB3 HIS A 3 15.282 10.975 0.727 1.00 1.00 H new ATOM 0 HD2 HIS A 3 14.964 10.946 3.482 1.00 1.00 H new ATOM 0 HE1 HIS A 3 12.353 7.640 3.764 1.00 1.00 H new ATOM 0 HE2 HIS A 3 13.673 9.354 5.138 1.00 1.00 H new ATOM 44 N HIS A 4 11.730 12.610 0.567 1.00 1.00 N ATOM 45 CA HIS A 4 11.335 13.893 1.133 1.00 1.00 C ATOM 46 C HIS A 4 11.897 14.051 2.543 1.00 1.00 C ATOM 47 O HIS A 4 12.263 13.070 3.189 1.00 1.00 O ATOM 48 CB HIS A 4 9.810 13.997 1.177 1.00 1.00 C ATOM 49 CG HIS A 4 9.367 15.202 0.392 1.00 1.00 C ATOM 50 ND1 HIS A 4 9.390 15.231 -0.993 1.00 1.00 N ATOM 51 CD2 HIS A 4 8.885 16.426 0.786 1.00 1.00 C ATOM 52 CE1 HIS A 4 8.935 16.437 -1.381 1.00 1.00 C ATOM 53 NE2 HIS A 4 8.614 17.204 -0.335 1.00 1.00 N ATOM 0 H HIS A 4 10.955 12.030 0.245 1.00 1.00 H new ATOM 0 HA HIS A 4 11.735 14.686 0.502 1.00 1.00 H new ATOM 0 HB2 HIS A 4 9.361 13.094 0.762 1.00 1.00 H new ATOM 0 HB3 HIS A 4 9.470 14.077 2.209 1.00 1.00 H new ATOM 0 HD2 HIS A 4 8.739 16.737 1.810 1.00 1.00 H new ATOM 0 HE1 HIS A 4 8.841 16.747 -2.411 1.00 1.00 H new ATOM 0 HE2 HIS A 4 8.249 18.156 -0.354 1.00 1.00 H new ATOM 61 N HIS A 5 11.964 15.294 3.012 1.00 1.00 N ATOM 62 CA HIS A 5 12.484 15.567 4.347 1.00 1.00 C ATOM 63 C HIS A 5 11.491 15.112 5.411 1.00 1.00 C ATOM 64 O HIS A 5 10.301 14.959 5.137 1.00 1.00 O ATOM 65 CB HIS A 5 12.755 17.064 4.504 1.00 1.00 C ATOM 66 CG HIS A 5 11.935 17.831 3.504 1.00 1.00 C ATOM 67 ND1 HIS A 5 12.493 18.396 2.367 1.00 1.00 N ATOM 68 CD2 HIS A 5 10.597 18.136 3.455 1.00 1.00 C ATOM 69 CE1 HIS A 5 11.504 19.005 1.689 1.00 1.00 C ATOM 70 NE2 HIS A 5 10.327 18.877 2.309 1.00 1.00 N ATOM 0 H HIS A 5 11.668 16.120 2.493 1.00 1.00 H new ATOM 0 HA HIS A 5 13.415 15.014 4.476 1.00 1.00 H new ATOM 0 HB2 HIS A 5 12.507 17.385 5.516 1.00 1.00 H new ATOM 0 HB3 HIS A 5 13.815 17.270 4.355 1.00 1.00 H new ATOM 0 HD2 HIS A 5 9.865 17.845 4.194 1.00 1.00 H new ATOM 0 HE1 HIS A 5 11.644 19.533 0.757 1.00 1.00 H new ATOM 0 HE2 HIS A 5 9.425 19.244 2.007 1.00 1.00 H new ATOM 78 N HIS A 6 11.988 14.900 6.625 1.00 1.00 N ATOM 79 CA HIS A 6 11.134 14.462 7.723 1.00 1.00 C ATOM 80 C HIS A 6 10.150 13.399 7.244 1.00 1.00 C ATOM 81 O HIS A 6 10.329 12.808 6.180 1.00 1.00 O ATOM 82 CB HIS A 6 10.362 15.654 8.292 1.00 1.00 C ATOM 83 CG HIS A 6 11.335 16.673 8.822 1.00 1.00 C ATOM 84 ND1 HIS A 6 12.646 16.744 8.381 1.00 1.00 N ATOM 85 CD2 HIS A 6 11.200 17.669 9.758 1.00 1.00 C ATOM 86 CE1 HIS A 6 13.245 17.749 9.045 1.00 1.00 C ATOM 87 NE2 HIS A 6 12.406 18.347 9.896 1.00 1.00 N ATOM 0 H HIS A 6 12.970 15.023 6.872 1.00 1.00 H new ATOM 0 HA HIS A 6 11.766 14.033 8.501 1.00 1.00 H new ATOM 0 HB2 HIS A 6 9.737 16.100 7.518 1.00 1.00 H new ATOM 0 HB3 HIS A 6 9.695 15.323 9.088 1.00 1.00 H new ATOM 0 HD2 HIS A 6 10.295 17.892 10.304 1.00 1.00 H new ATOM 0 HE1 HIS A 6 14.277 18.037 8.907 1.00 1.00 H new ATOM 0 HE2 HIS A 6 12.607 19.133 10.514 1.00 1.00 H new ATOM 95 N HIS A 7 9.109 13.162 8.037 1.00 1.00 N ATOM 96 CA HIS A 7 8.104 12.167 7.683 1.00 1.00 C ATOM 97 C HIS A 7 6.711 12.648 8.078 1.00 1.00 C ATOM 98 O HIS A 7 6.513 13.171 9.175 1.00 1.00 O ATOM 99 CB HIS A 7 8.408 10.843 8.387 1.00 1.00 C ATOM 100 CG HIS A 7 8.625 9.768 7.359 1.00 1.00 C ATOM 101 ND1 HIS A 7 7.576 9.177 6.673 1.00 1.00 N ATOM 102 CD2 HIS A 7 9.766 9.167 6.887 1.00 1.00 C ATOM 103 CE1 HIS A 7 8.101 8.265 5.835 1.00 1.00 C ATOM 104 NE2 HIS A 7 9.433 8.219 5.923 1.00 1.00 N ATOM 0 H HIS A 7 8.941 13.641 8.922 1.00 1.00 H new ATOM 0 HA HIS A 7 8.132 12.018 6.604 1.00 1.00 H new ATOM 0 HB2 HIS A 7 9.294 10.947 9.013 1.00 1.00 H new ATOM 0 HB3 HIS A 7 7.583 10.571 9.045 1.00 1.00 H new ATOM 0 HD2 HIS A 7 10.770 9.395 7.214 1.00 1.00 H new ATOM 0 HE1 HIS A 7 7.516 7.645 5.171 1.00 1.00 H new ATOM 0 HE2 HIS A 7 10.069 7.619 5.398 1.00 1.00 H new ATOM 112 N HIS A 8 5.751 12.468 7.176 1.00 1.00 N ATOM 113 CA HIS A 8 4.379 12.888 7.439 1.00 1.00 C ATOM 114 C HIS A 8 3.395 11.818 6.975 1.00 1.00 C ATOM 115 O HIS A 8 2.857 11.061 7.783 1.00 1.00 O ATOM 116 CB HIS A 8 4.087 14.204 6.718 1.00 1.00 C ATOM 117 CG HIS A 8 4.297 15.353 7.667 1.00 1.00 C ATOM 118 ND1 HIS A 8 3.533 15.514 8.811 1.00 1.00 N ATOM 119 CD2 HIS A 8 5.181 16.403 7.655 1.00 1.00 C ATOM 120 CE1 HIS A 8 3.967 16.624 9.436 1.00 1.00 C ATOM 121 NE2 HIS A 8 4.971 17.205 8.773 1.00 1.00 N ATOM 0 H HIS A 8 5.896 12.037 6.263 1.00 1.00 H new ATOM 0 HA HIS A 8 4.261 13.032 8.513 1.00 1.00 H new ATOM 0 HB2 HIS A 8 4.741 14.309 5.852 1.00 1.00 H new ATOM 0 HB3 HIS A 8 3.062 14.208 6.346 1.00 1.00 H new ATOM 0 HD2 HIS A 8 5.926 16.580 6.894 1.00 1.00 H new ATOM 0 HE1 HIS A 8 3.554 16.999 10.361 1.00 1.00 H new ATOM 0 HE2 HIS A 8 5.475 18.054 9.031 1.00 1.00 H new ATOM 129 N MET A 9 3.166 11.762 5.666 1.00 1.00 N ATOM 130 CA MET A 9 2.246 10.780 5.105 1.00 1.00 C ATOM 131 C MET A 9 2.587 10.498 3.647 1.00 1.00 C ATOM 132 O MET A 9 2.431 11.360 2.782 1.00 1.00 O ATOM 133 CB MET A 9 0.810 11.292 5.206 1.00 1.00 C ATOM 134 CG MET A 9 -0.109 10.425 4.340 1.00 1.00 C ATOM 135 SD MET A 9 -1.829 10.687 4.839 1.00 1.00 S ATOM 136 CE MET A 9 -1.872 9.469 6.176 1.00 1.00 C ATOM 0 H MET A 9 3.601 12.379 4.980 1.00 1.00 H new ATOM 0 HA MET A 9 2.341 9.855 5.673 1.00 1.00 H new ATOM 0 HB2 MET A 9 0.477 11.268 6.244 1.00 1.00 H new ATOM 0 HB3 MET A 9 0.760 12.331 4.879 1.00 1.00 H new ATOM 0 HG2 MET A 9 0.019 10.679 3.288 1.00 1.00 H new ATOM 0 HG3 MET A 9 0.156 9.373 4.448 1.00 1.00 H new ATOM 0 HE1 MET A 9 -2.882 9.071 6.274 1.00 1.00 H new ATOM 0 HE2 MET A 9 -1.182 8.656 5.950 1.00 1.00 H new ATOM 0 HE3 MET A 9 -1.578 9.945 7.111 1.00 1.00 H new ATOM 146 N ASP A 10 3.052 9.282 3.387 1.00 1.00 N ATOM 147 CA ASP A 10 3.417 8.881 2.031 1.00 1.00 C ATOM 148 C ASP A 10 3.819 7.410 2.000 1.00 1.00 C ATOM 149 O ASP A 10 4.734 7.021 1.275 1.00 1.00 O ATOM 150 CB ASP A 10 4.582 9.737 1.528 1.00 1.00 C ATOM 151 CG ASP A 10 5.752 9.646 2.501 1.00 1.00 C ATOM 152 OD1 ASP A 10 6.403 8.614 2.521 1.00 1.00 O ATOM 153 OD2 ASP A 10 5.980 10.608 3.214 1.00 1.00 O ATOM 0 H ASP A 10 3.185 8.558 4.093 1.00 1.00 H new ATOM 0 HA ASP A 10 2.552 9.027 1.384 1.00 1.00 H new ATOM 0 HB2 ASP A 10 4.893 9.399 0.540 1.00 1.00 H new ATOM 0 HB3 ASP A 10 4.264 10.774 1.424 1.00 1.00 H new ATOM 158 N THR A 11 3.133 6.599 2.799 1.00 1.00 N ATOM 159 CA THR A 11 3.433 5.173 2.862 1.00 1.00 C ATOM 160 C THR A 11 2.190 4.383 3.263 1.00 1.00 C ATOM 161 O THR A 11 1.409 4.829 4.105 1.00 1.00 O ATOM 162 CB THR A 11 4.551 4.928 3.881 1.00 1.00 C ATOM 163 OG1 THR A 11 5.621 5.827 3.628 1.00 1.00 O ATOM 164 CG2 THR A 11 5.058 3.489 3.774 1.00 1.00 C ATOM 0 H THR A 11 2.372 6.901 3.407 1.00 1.00 H new ATOM 0 HA THR A 11 3.757 4.838 1.876 1.00 1.00 H new ATOM 0 HB THR A 11 4.160 5.091 4.885 1.00 1.00 H new ATOM 0 HG1 THR A 11 6.338 5.674 4.279 1.00 1.00 H new ATOM 0 HG21 THR A 11 5.852 3.328 4.503 1.00 1.00 H new ATOM 0 HG22 THR A 11 4.238 2.799 3.972 1.00 1.00 H new ATOM 0 HG23 THR A 11 5.446 3.314 2.771 1.00 1.00 H new ATOM 172 N ILE A 12 2.019 3.206 2.664 1.00 1.00 N ATOM 173 CA ILE A 12 0.872 2.360 2.975 1.00 1.00 C ATOM 174 C ILE A 12 1.322 1.140 3.769 1.00 1.00 C ATOM 175 O ILE A 12 2.373 0.564 3.492 1.00 1.00 O ATOM 176 CB ILE A 12 0.181 1.912 1.685 1.00 1.00 C ATOM 177 CG1 ILE A 12 0.670 2.778 0.521 1.00 1.00 C ATOM 178 CG2 ILE A 12 -1.333 2.067 1.836 1.00 1.00 C ATOM 179 CD1 ILE A 12 -0.145 2.457 -0.734 1.00 1.00 C ATOM 0 H ILE A 12 2.655 2.820 1.966 1.00 1.00 H new ATOM 0 HA ILE A 12 0.166 2.935 3.574 1.00 1.00 H new ATOM 0 HB ILE A 12 0.420 0.867 1.488 1.00 1.00 H new ATOM 0 HG12 ILE A 12 0.569 3.834 0.772 1.00 1.00 H new ATOM 0 HG13 ILE A 12 1.728 2.594 0.337 1.00 1.00 H new ATOM 0 HG21 ILE A 12 -1.825 1.748 0.917 1.00 1.00 H new ATOM 0 HG22 ILE A 12 -1.681 1.452 2.666 1.00 1.00 H new ATOM 0 HG23 ILE A 12 -1.574 3.112 2.033 1.00 1.00 H new ATOM 0 HD11 ILE A 12 0.204 3.074 -1.562 1.00 1.00 H new ATOM 0 HD12 ILE A 12 -0.022 1.404 -0.989 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -1.199 2.664 -0.546 1.00 1.00 H new ATOM 191 N ILE A 13 0.522 0.753 4.759 1.00 1.00 N ATOM 192 CA ILE A 13 0.850 -0.397 5.594 1.00 1.00 C ATOM 193 C ILE A 13 -0.188 -1.498 5.411 1.00 1.00 C ATOM 194 O ILE A 13 -1.345 -1.347 5.807 1.00 1.00 O ATOM 195 CB ILE A 13 0.889 0.017 7.069 1.00 1.00 C ATOM 196 CG1 ILE A 13 1.897 1.161 7.268 1.00 1.00 C ATOM 197 CG2 ILE A 13 1.293 -1.184 7.928 1.00 1.00 C ATOM 198 CD1 ILE A 13 3.296 0.595 7.519 1.00 1.00 C ATOM 0 H ILE A 13 -0.354 1.217 5.001 1.00 1.00 H new ATOM 0 HA ILE A 13 1.829 -0.771 5.294 1.00 1.00 H new ATOM 0 HB ILE A 13 -0.101 0.361 7.370 1.00 1.00 H new ATOM 0 HG12 ILE A 13 1.909 1.802 6.387 1.00 1.00 H new ATOM 0 HG13 ILE A 13 1.592 1.782 8.110 1.00 1.00 H new ATOM 0 HG21 ILE A 13 1.320 -0.888 8.977 1.00 1.00 H new ATOM 0 HG22 ILE A 13 0.567 -1.986 7.796 1.00 1.00 H new ATOM 0 HG23 ILE A 13 2.280 -1.534 7.624 1.00 1.00 H new ATOM 0 HD11 ILE A 13 4.001 1.415 7.658 1.00 1.00 H new ATOM 0 HD12 ILE A 13 3.282 -0.027 8.414 1.00 1.00 H new ATOM 0 HD13 ILE A 13 3.604 -0.007 6.664 1.00 1.00 H new ATOM 210 N LEU A 14 0.229 -2.607 4.810 1.00 1.00 N ATOM 211 CA LEU A 14 -0.680 -3.725 4.585 1.00 1.00 C ATOM 212 C LEU A 14 -0.871 -4.519 5.873 1.00 1.00 C ATOM 213 O LEU A 14 0.085 -4.760 6.610 1.00 1.00 O ATOM 214 CB LEU A 14 -0.124 -4.642 3.492 1.00 1.00 C ATOM 215 CG LEU A 14 0.604 -3.805 2.439 1.00 1.00 C ATOM 216 CD1 LEU A 14 1.012 -4.699 1.267 1.00 1.00 C ATOM 217 CD2 LEU A 14 -0.328 -2.700 1.935 1.00 1.00 C ATOM 0 H LEU A 14 1.180 -2.756 4.473 1.00 1.00 H new ATOM 0 HA LEU A 14 -1.644 -3.330 4.266 1.00 1.00 H new ATOM 0 HB2 LEU A 14 0.560 -5.371 3.928 1.00 1.00 H new ATOM 0 HB3 LEU A 14 -0.935 -5.204 3.028 1.00 1.00 H new ATOM 0 HG LEU A 14 1.494 -3.359 2.882 1.00 1.00 H new ATOM 0 HD11 LEU A 14 1.531 -4.102 0.517 1.00 1.00 H new ATOM 0 HD12 LEU A 14 1.674 -5.488 1.624 1.00 1.00 H new ATOM 0 HD13 LEU A 14 0.122 -5.146 0.823 1.00 1.00 H new ATOM 0 HD21 LEU A 14 0.189 -2.102 1.184 1.00 1.00 H new ATOM 0 HD22 LEU A 14 -1.218 -3.148 1.492 1.00 1.00 H new ATOM 0 HD23 LEU A 14 -0.620 -2.062 2.769 1.00 1.00 H new ATOM 229 N ARG A 15 -2.113 -4.917 6.137 1.00 1.00 N ATOM 230 CA ARG A 15 -2.429 -5.681 7.340 1.00 1.00 C ATOM 231 C ARG A 15 -3.093 -7.002 6.973 1.00 1.00 C ATOM 232 O ARG A 15 -3.831 -7.079 5.993 1.00 1.00 O ATOM 233 CB ARG A 15 -3.361 -4.859 8.237 1.00 1.00 C ATOM 234 CG ARG A 15 -4.192 -5.784 9.131 1.00 1.00 C ATOM 235 CD ARG A 15 -4.756 -4.982 10.307 1.00 1.00 C ATOM 236 NE ARG A 15 -3.863 -5.085 11.456 1.00 1.00 N ATOM 237 CZ ARG A 15 -4.129 -4.460 12.598 1.00 1.00 C ATOM 238 NH1 ARG A 15 -5.211 -3.740 12.710 1.00 1.00 N ATOM 239 NH2 ARG A 15 -3.309 -4.568 13.608 1.00 1.00 N ATOM 0 H ARG A 15 -2.914 -4.724 5.536 1.00 1.00 H new ATOM 0 HA ARG A 15 -1.505 -5.896 7.876 1.00 1.00 H new ATOM 0 HB2 ARG A 15 -2.775 -4.177 8.853 1.00 1.00 H new ATOM 0 HB3 ARG A 15 -4.021 -4.247 7.623 1.00 1.00 H new ATOM 0 HG2 ARG A 15 -5.005 -6.229 8.557 1.00 1.00 H new ATOM 0 HG3 ARG A 15 -3.575 -6.604 9.498 1.00 1.00 H new ATOM 0 HD2 ARG A 15 -4.875 -3.937 10.021 1.00 1.00 H new ATOM 0 HD3 ARG A 15 -5.746 -5.355 10.571 1.00 1.00 H new ATOM 0 HE ARG A 15 -3.016 -5.649 11.381 1.00 1.00 H new ATOM 0 HH11 ARG A 15 -5.852 -3.657 11.921 1.00 1.00 H new ATOM 0 HH12 ARG A 15 -5.416 -3.260 13.586 1.00 1.00 H new ATOM 0 HH21 ARG A 15 -2.464 -5.132 13.521 1.00 1.00 H new ATOM 0 HH22 ARG A 15 -3.513 -4.088 14.485 1.00 1.00 H new ATOM 253 N ASN A 16 -2.823 -8.029 7.773 1.00 1.00 N ATOM 254 CA ASN A 16 -3.395 -9.353 7.550 1.00 1.00 C ATOM 255 C ASN A 16 -2.676 -10.081 6.418 1.00 1.00 C ATOM 256 O ASN A 16 -3.311 -10.572 5.485 1.00 1.00 O ATOM 257 CB ASN A 16 -4.879 -9.227 7.216 1.00 1.00 C ATOM 258 CG ASN A 16 -5.616 -10.508 7.584 1.00 1.00 C ATOM 259 OD1 ASN A 16 -5.295 -11.153 8.580 1.00 1.00 O ATOM 260 ND2 ASN A 16 -6.606 -10.912 6.834 1.00 1.00 N ATOM 0 H ASN A 16 -2.209 -7.969 8.585 1.00 1.00 H new ATOM 0 HA ASN A 16 -3.271 -9.933 8.464 1.00 1.00 H new ATOM 0 HB2 ASN A 16 -5.310 -8.384 7.756 1.00 1.00 H new ATOM 0 HB3 ASN A 16 -5.003 -9.021 6.153 1.00 1.00 H new ATOM 0 HD21 ASN A 16 -7.114 -11.763 7.075 1.00 1.00 H new ATOM 0 HD22 ASN A 16 -6.872 -10.376 6.008 1.00 1.00 H new ATOM 267 N ILE A 17 -1.352 -10.155 6.508 1.00 1.00 N ATOM 268 CA ILE A 17 -0.568 -10.836 5.482 1.00 1.00 C ATOM 269 C ILE A 17 -0.283 -12.275 5.899 1.00 1.00 C ATOM 270 O ILE A 17 0.094 -12.538 7.041 1.00 1.00 O ATOM 271 CB ILE A 17 0.756 -10.101 5.254 1.00 1.00 C ATOM 272 CG1 ILE A 17 0.496 -8.607 5.017 1.00 1.00 C ATOM 273 CG2 ILE A 17 1.472 -10.701 4.044 1.00 1.00 C ATOM 274 CD1 ILE A 17 -0.535 -8.416 3.900 1.00 1.00 C ATOM 0 H ILE A 17 -0.804 -9.757 7.271 1.00 1.00 H new ATOM 0 HA ILE A 17 -1.144 -10.839 4.556 1.00 1.00 H new ATOM 0 HB ILE A 17 1.383 -10.213 6.138 1.00 1.00 H new ATOM 0 HG12 ILE A 17 0.137 -8.144 5.936 1.00 1.00 H new ATOM 0 HG13 ILE A 17 1.427 -8.107 4.751 1.00 1.00 H new ATOM 0 HG21 ILE A 17 2.414 -10.177 3.882 1.00 1.00 H new ATOM 0 HG22 ILE A 17 1.670 -11.757 4.226 1.00 1.00 H new ATOM 0 HG23 ILE A 17 0.843 -10.597 3.160 1.00 1.00 H new ATOM 0 HD11 ILE A 17 -0.709 -7.351 3.744 1.00 1.00 H new ATOM 0 HD12 ILE A 17 -0.160 -8.862 2.979 1.00 1.00 H new ATOM 0 HD13 ILE A 17 -1.471 -8.899 4.182 1.00 1.00 H new ATOM 286 N ALA A 18 -0.464 -13.205 4.967 1.00 1.00 N ATOM 287 CA ALA A 18 -0.216 -14.613 5.257 1.00 1.00 C ATOM 288 C ALA A 18 1.282 -14.861 5.435 1.00 1.00 C ATOM 289 O ALA A 18 2.106 -14.076 4.965 1.00 1.00 O ATOM 290 CB ALA A 18 -0.750 -15.482 4.116 1.00 1.00 C ATOM 0 H ALA A 18 -0.778 -13.013 4.016 1.00 1.00 H new ATOM 0 HA ALA A 18 -0.731 -14.876 6.181 1.00 1.00 H new ATOM 0 HB1 ALA A 18 -0.561 -16.532 4.339 1.00 1.00 H new ATOM 0 HB2 ALA A 18 -1.823 -15.321 4.007 1.00 1.00 H new ATOM 0 HB3 ALA A 18 -0.247 -15.213 3.187 1.00 1.00 H new ATOM 296 N PRO A 19 1.651 -15.929 6.098 1.00 1.00 N ATOM 297 CA PRO A 19 3.087 -16.272 6.332 1.00 1.00 C ATOM 298 C PRO A 19 3.772 -16.780 5.067 1.00 1.00 C ATOM 299 O PRO A 19 4.917 -17.231 5.111 1.00 1.00 O ATOM 300 CB PRO A 19 3.023 -17.374 7.392 1.00 1.00 C ATOM 301 CG PRO A 19 1.692 -18.020 7.202 1.00 1.00 C ATOM 302 CD PRO A 19 0.749 -16.927 6.699 1.00 1.00 C ATOM 0 HA PRO A 19 3.670 -15.404 6.641 1.00 1.00 H new ATOM 0 HB2 PRO A 19 3.832 -18.093 7.262 1.00 1.00 H new ATOM 0 HB3 PRO A 19 3.121 -16.961 8.396 1.00 1.00 H new ATOM 0 HG2 PRO A 19 1.756 -18.838 6.484 1.00 1.00 H new ATOM 0 HG3 PRO A 19 1.330 -18.445 8.138 1.00 1.00 H new ATOM 0 HD2 PRO A 19 0.040 -17.316 5.968 1.00 1.00 H new ATOM 0 HD3 PRO A 19 0.164 -16.498 7.513 1.00 1.00 H new ATOM 310 N HIS A 20 3.063 -16.705 3.944 1.00 1.00 N ATOM 311 CA HIS A 20 3.607 -17.163 2.667 1.00 1.00 C ATOM 312 C HIS A 20 3.575 -16.041 1.635 1.00 1.00 C ATOM 313 O HIS A 20 3.453 -16.292 0.437 1.00 1.00 O ATOM 314 CB HIS A 20 2.786 -18.345 2.151 1.00 1.00 C ATOM 315 CG HIS A 20 3.448 -18.920 0.928 1.00 1.00 C ATOM 316 ND1 HIS A 20 4.762 -19.360 0.938 1.00 1.00 N ATOM 317 CD2 HIS A 20 2.991 -19.130 -0.348 1.00 1.00 C ATOM 318 CE1 HIS A 20 5.049 -19.809 -0.298 1.00 1.00 C ATOM 319 NE2 HIS A 20 4.003 -19.693 -1.121 1.00 1.00 N ATOM 0 H HIS A 20 2.115 -16.333 3.891 1.00 1.00 H new ATOM 0 HA HIS A 20 4.641 -17.470 2.823 1.00 1.00 H new ATOM 0 HB2 HIS A 20 2.702 -19.108 2.925 1.00 1.00 H new ATOM 0 HB3 HIS A 20 1.773 -18.021 1.911 1.00 1.00 H new ATOM 0 HD2 HIS A 20 1.997 -18.895 -0.700 1.00 1.00 H new ATOM 0 HE1 HIS A 20 6.007 -20.213 -0.589 1.00 1.00 H new ATOM 0 HE2 HIS A 20 3.956 -19.960 -2.104 1.00 1.00 H new ATOM 327 N THR A 21 3.683 -14.805 2.109 1.00 1.00 N ATOM 328 CA THR A 21 3.661 -13.655 1.213 1.00 1.00 C ATOM 329 C THR A 21 5.062 -13.342 0.699 1.00 1.00 C ATOM 330 O THR A 21 6.050 -13.511 1.413 1.00 1.00 O ATOM 331 CB THR A 21 3.098 -12.434 1.942 1.00 1.00 C ATOM 332 OG1 THR A 21 1.681 -12.530 1.991 1.00 1.00 O ATOM 333 CG2 THR A 21 3.501 -11.160 1.200 1.00 1.00 C ATOM 0 H THR A 21 3.786 -14.575 3.097 1.00 1.00 H new ATOM 0 HA THR A 21 3.023 -13.897 0.363 1.00 1.00 H new ATOM 0 HB THR A 21 3.497 -12.399 2.956 1.00 1.00 H new ATOM 0 HG1 THR A 21 1.287 -11.851 1.405 1.00 1.00 H new ATOM 0 HG21 THR A 21 3.098 -10.292 1.722 1.00 1.00 H new ATOM 0 HG22 THR A 21 4.588 -11.089 1.163 1.00 1.00 H new ATOM 0 HG23 THR A 21 3.104 -11.189 0.185 1.00 1.00 H new ATOM 341 N VAL A 22 5.137 -12.878 -0.545 1.00 1.00 N ATOM 342 CA VAL A 22 6.418 -12.535 -1.150 1.00 1.00 C ATOM 343 C VAL A 22 6.320 -11.198 -1.876 1.00 1.00 C ATOM 344 O VAL A 22 5.299 -10.890 -2.493 1.00 1.00 O ATOM 345 CB VAL A 22 6.840 -13.624 -2.136 1.00 1.00 C ATOM 346 CG1 VAL A 22 7.893 -14.524 -1.487 1.00 1.00 C ATOM 347 CG2 VAL A 22 5.619 -14.465 -2.520 1.00 1.00 C ATOM 0 H VAL A 22 4.329 -12.732 -1.151 1.00 1.00 H new ATOM 0 HA VAL A 22 7.164 -12.456 -0.360 1.00 1.00 H new ATOM 0 HB VAL A 22 7.260 -13.161 -3.029 1.00 1.00 H new ATOM 0 HG11 VAL A 22 8.193 -15.300 -2.192 1.00 1.00 H new ATOM 0 HG12 VAL A 22 8.763 -13.927 -1.213 1.00 1.00 H new ATOM 0 HG13 VAL A 22 7.475 -14.987 -0.593 1.00 1.00 H new ATOM 0 HG21 VAL A 22 5.919 -15.242 -3.223 1.00 1.00 H new ATOM 0 HG22 VAL A 22 5.200 -14.927 -1.626 1.00 1.00 H new ATOM 0 HG23 VAL A 22 4.868 -13.826 -2.984 1.00 1.00 H new ATOM 357 N VAL A 23 7.384 -10.407 -1.800 1.00 1.00 N ATOM 358 CA VAL A 23 7.403 -9.104 -2.454 1.00 1.00 C ATOM 359 C VAL A 23 7.015 -9.234 -3.923 1.00 1.00 C ATOM 360 O VAL A 23 6.557 -8.274 -4.541 1.00 1.00 O ATOM 361 CB VAL A 23 8.797 -8.486 -2.343 1.00 1.00 C ATOM 362 CG1 VAL A 23 8.693 -6.965 -2.470 1.00 1.00 C ATOM 363 CG2 VAL A 23 9.405 -8.842 -0.985 1.00 1.00 C ATOM 0 H VAL A 23 8.239 -10.643 -1.296 1.00 1.00 H new ATOM 0 HA VAL A 23 6.679 -8.458 -1.957 1.00 1.00 H new ATOM 0 HB VAL A 23 9.431 -8.875 -3.140 1.00 1.00 H new ATOM 0 HG11 VAL A 23 9.687 -6.524 -2.391 1.00 1.00 H new ATOM 0 HG12 VAL A 23 8.259 -6.709 -3.437 1.00 1.00 H new ATOM 0 HG13 VAL A 23 8.059 -6.576 -1.673 1.00 1.00 H new ATOM 0 HG21 VAL A 23 10.399 -8.402 -0.905 1.00 1.00 H new ATOM 0 HG22 VAL A 23 8.770 -8.453 -0.189 1.00 1.00 H new ATOM 0 HG23 VAL A 23 9.479 -9.926 -0.892 1.00 1.00 H new ATOM 373 N ASP A 24 7.204 -10.427 -4.478 1.00 1.00 N ATOM 374 CA ASP A 24 6.873 -10.670 -5.878 1.00 1.00 C ATOM 375 C ASP A 24 5.361 -10.750 -6.073 1.00 1.00 C ATOM 376 O ASP A 24 4.836 -10.321 -7.100 1.00 1.00 O ATOM 377 CB ASP A 24 7.518 -11.975 -6.346 1.00 1.00 C ATOM 378 CG ASP A 24 8.124 -11.790 -7.734 1.00 1.00 C ATOM 379 OD1 ASP A 24 9.028 -10.980 -7.862 1.00 1.00 O ATOM 380 OD2 ASP A 24 7.677 -12.463 -8.648 1.00 1.00 O ATOM 0 H ASP A 24 7.582 -11.235 -3.984 1.00 1.00 H new ATOM 0 HA ASP A 24 7.257 -9.839 -6.469 1.00 1.00 H new ATOM 0 HB2 ASP A 24 8.291 -12.282 -5.641 1.00 1.00 H new ATOM 0 HB3 ASP A 24 6.773 -12.771 -6.369 1.00 1.00 H new ATOM 385 N SER A 25 4.667 -11.311 -5.088 1.00 1.00 N ATOM 386 CA SER A 25 3.216 -11.447 -5.170 1.00 1.00 C ATOM 387 C SER A 25 2.526 -10.104 -4.949 1.00 1.00 C ATOM 388 O SER A 25 1.474 -9.834 -5.527 1.00 1.00 O ATOM 389 CB SER A 25 2.727 -12.451 -4.125 1.00 1.00 C ATOM 390 OG SER A 25 3.152 -13.756 -4.494 1.00 1.00 O ATOM 0 H SER A 25 5.081 -11.676 -4.230 1.00 1.00 H new ATOM 0 HA SER A 25 2.965 -11.805 -6.169 1.00 1.00 H new ATOM 0 HB2 SER A 25 3.121 -12.192 -3.142 1.00 1.00 H new ATOM 0 HB3 SER A 25 1.640 -12.417 -4.052 1.00 1.00 H new ATOM 0 HG SER A 25 2.842 -14.402 -3.826 1.00 1.00 H new ATOM 396 N ILE A 26 3.124 -9.263 -4.109 1.00 1.00 N ATOM 397 CA ILE A 26 2.553 -7.951 -3.826 1.00 1.00 C ATOM 398 C ILE A 26 2.990 -6.942 -4.882 1.00 1.00 C ATOM 399 O ILE A 26 2.316 -5.937 -5.111 1.00 1.00 O ATOM 400 CB ILE A 26 2.995 -7.466 -2.441 1.00 1.00 C ATOM 401 CG1 ILE A 26 2.859 -8.601 -1.417 1.00 1.00 C ATOM 402 CG2 ILE A 26 2.118 -6.289 -2.008 1.00 1.00 C ATOM 403 CD1 ILE A 26 1.493 -9.275 -1.568 1.00 1.00 C ATOM 0 H ILE A 26 3.995 -9.464 -3.617 1.00 1.00 H new ATOM 0 HA ILE A 26 1.467 -8.040 -3.845 1.00 1.00 H new ATOM 0 HB ILE A 26 4.037 -7.151 -2.492 1.00 1.00 H new ATOM 0 HG12 ILE A 26 3.654 -9.332 -1.564 1.00 1.00 H new ATOM 0 HG13 ILE A 26 2.971 -8.207 -0.407 1.00 1.00 H new ATOM 0 HG21 ILE A 26 2.432 -5.944 -1.023 1.00 1.00 H new ATOM 0 HG22 ILE A 26 2.220 -5.476 -2.727 1.00 1.00 H new ATOM 0 HG23 ILE A 26 1.076 -6.608 -1.966 1.00 1.00 H new ATOM 0 HD11 ILE A 26 1.402 -10.080 -0.839 1.00 1.00 H new ATOM 0 HD12 ILE A 26 0.705 -8.541 -1.399 1.00 1.00 H new ATOM 0 HD13 ILE A 26 1.398 -9.684 -2.574 1.00 1.00 H new ATOM 415 N MET A 27 4.120 -7.219 -5.524 1.00 1.00 N ATOM 416 CA MET A 27 4.638 -6.329 -6.557 1.00 1.00 C ATOM 417 C MET A 27 3.812 -6.448 -7.834 1.00 1.00 C ATOM 418 O MET A 27 3.272 -5.459 -8.330 1.00 1.00 O ATOM 419 CB MET A 27 6.097 -6.679 -6.858 1.00 1.00 C ATOM 420 CG MET A 27 7.008 -6.013 -5.823 1.00 1.00 C ATOM 421 SD MET A 27 7.566 -4.410 -6.450 1.00 1.00 S ATOM 422 CE MET A 27 9.067 -4.998 -7.274 1.00 1.00 C ATOM 0 H MET A 27 4.691 -8.046 -5.349 1.00 1.00 H new ATOM 0 HA MET A 27 4.574 -5.304 -6.193 1.00 1.00 H new ATOM 0 HB2 MET A 27 6.234 -7.760 -6.836 1.00 1.00 H new ATOM 0 HB3 MET A 27 6.363 -6.344 -7.861 1.00 1.00 H new ATOM 0 HG2 MET A 27 6.472 -5.881 -4.883 1.00 1.00 H new ATOM 0 HG3 MET A 27 7.866 -6.652 -5.614 1.00 1.00 H new ATOM 0 HE1 MET A 27 9.626 -4.147 -7.663 1.00 1.00 H new ATOM 0 HE2 MET A 27 9.685 -5.542 -6.560 1.00 1.00 H new ATOM 0 HE3 MET A 27 8.795 -5.660 -8.096 1.00 1.00 H new ATOM 432 N THR A 28 3.723 -7.664 -8.363 1.00 1.00 N ATOM 433 CA THR A 28 2.964 -7.903 -9.585 1.00 1.00 C ATOM 434 C THR A 28 1.479 -7.626 -9.369 1.00 1.00 C ATOM 435 O THR A 28 0.748 -7.338 -10.316 1.00 1.00 O ATOM 436 CB THR A 28 3.153 -9.353 -10.040 1.00 1.00 C ATOM 437 OG1 THR A 28 4.520 -9.573 -10.357 1.00 1.00 O ATOM 438 CG2 THR A 28 2.291 -9.618 -11.277 1.00 1.00 C ATOM 0 H THR A 28 4.164 -8.494 -7.968 1.00 1.00 H new ATOM 0 HA THR A 28 3.335 -7.225 -10.354 1.00 1.00 H new ATOM 0 HB THR A 28 2.852 -10.028 -9.239 1.00 1.00 H new ATOM 0 HG1 THR A 28 4.643 -10.501 -10.647 1.00 1.00 H new ATOM 0 HG21 THR A 28 2.426 -10.650 -11.600 1.00 1.00 H new ATOM 0 HG22 THR A 28 1.242 -9.448 -11.033 1.00 1.00 H new ATOM 0 HG23 THR A 28 2.590 -8.944 -12.080 1.00 1.00 H new ATOM 446 N ALA A 29 1.038 -7.723 -8.119 1.00 1.00 N ATOM 447 CA ALA A 29 -0.365 -7.485 -7.795 1.00 1.00 C ATOM 448 C ALA A 29 -0.695 -5.996 -7.862 1.00 1.00 C ATOM 449 O ALA A 29 -1.813 -5.614 -8.202 1.00 1.00 O ATOM 450 CB ALA A 29 -0.675 -8.017 -6.395 1.00 1.00 C ATOM 0 H ALA A 29 1.625 -7.962 -7.320 1.00 1.00 H new ATOM 0 HA ALA A 29 -0.978 -8.009 -8.528 1.00 1.00 H new ATOM 0 HB1 ALA A 29 -1.724 -7.835 -6.161 1.00 1.00 H new ATOM 0 HB2 ALA A 29 -0.476 -9.088 -6.360 1.00 1.00 H new ATOM 0 HB3 ALA A 29 -0.047 -7.507 -5.665 1.00 1.00 H new ATOM 456 N LEU A 30 0.285 -5.163 -7.526 1.00 1.00 N ATOM 457 CA LEU A 30 0.085 -3.716 -7.544 1.00 1.00 C ATOM 458 C LEU A 30 0.673 -3.100 -8.812 1.00 1.00 C ATOM 459 O LEU A 30 0.731 -1.878 -8.950 1.00 1.00 O ATOM 460 CB LEU A 30 0.745 -3.083 -6.315 1.00 1.00 C ATOM 461 CG LEU A 30 -0.115 -3.343 -5.070 1.00 1.00 C ATOM 462 CD1 LEU A 30 0.661 -2.920 -3.822 1.00 1.00 C ATOM 463 CD2 LEU A 30 -1.423 -2.543 -5.145 1.00 1.00 C ATOM 0 H LEU A 30 1.218 -5.460 -7.240 1.00 1.00 H new ATOM 0 HA LEU A 30 -0.987 -3.520 -7.526 1.00 1.00 H new ATOM 0 HB2 LEU A 30 1.743 -3.498 -6.172 1.00 1.00 H new ATOM 0 HB3 LEU A 30 0.865 -2.010 -6.468 1.00 1.00 H new ATOM 0 HG LEU A 30 -0.352 -4.406 -5.022 1.00 1.00 H new ATOM 0 HD11 LEU A 30 0.053 -3.103 -2.936 1.00 1.00 H new ATOM 0 HD12 LEU A 30 1.584 -3.496 -3.755 1.00 1.00 H new ATOM 0 HD13 LEU A 30 0.900 -1.858 -3.885 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -2.021 -2.739 -4.255 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -1.196 -1.479 -5.203 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -1.983 -2.843 -6.031 1.00 1.00 H new ATOM 475 N SER A 31 1.115 -3.951 -9.732 1.00 1.00 N ATOM 476 CA SER A 31 1.704 -3.477 -10.980 1.00 1.00 C ATOM 477 C SER A 31 0.690 -2.692 -11.819 1.00 1.00 C ATOM 478 O SER A 31 0.968 -1.567 -12.234 1.00 1.00 O ATOM 479 CB SER A 31 2.243 -4.655 -11.793 1.00 1.00 C ATOM 480 OG SER A 31 1.699 -4.608 -13.106 1.00 1.00 O ATOM 0 H SER A 31 1.077 -4.966 -9.639 1.00 1.00 H new ATOM 0 HA SER A 31 2.524 -2.807 -10.723 1.00 1.00 H new ATOM 0 HB2 SER A 31 3.331 -4.614 -11.836 1.00 1.00 H new ATOM 0 HB3 SER A 31 1.978 -5.596 -11.311 1.00 1.00 H new ATOM 0 HG SER A 31 2.044 -5.361 -13.630 1.00 1.00 H new ATOM 486 N PRO A 32 -0.466 -3.253 -12.083 1.00 1.00 N ATOM 487 CA PRO A 32 -1.511 -2.568 -12.899 1.00 1.00 C ATOM 488 C PRO A 32 -2.265 -1.510 -12.103 1.00 1.00 C ATOM 489 O PRO A 32 -3.119 -0.805 -12.641 1.00 1.00 O ATOM 490 CB PRO A 32 -2.439 -3.706 -13.318 1.00 1.00 C ATOM 491 CG PRO A 32 -2.309 -4.743 -12.253 1.00 1.00 C ATOM 492 CD PRO A 32 -0.913 -4.587 -11.641 1.00 1.00 C ATOM 0 HA PRO A 32 -1.084 -2.027 -13.743 1.00 1.00 H new ATOM 0 HB2 PRO A 32 -3.469 -3.360 -13.405 1.00 1.00 H new ATOM 0 HB3 PRO A 32 -2.154 -4.106 -14.291 1.00 1.00 H new ATOM 0 HG2 PRO A 32 -3.080 -4.613 -11.493 1.00 1.00 H new ATOM 0 HG3 PRO A 32 -2.437 -5.742 -12.670 1.00 1.00 H new ATOM 0 HD2 PRO A 32 -0.946 -4.655 -10.554 1.00 1.00 H new ATOM 0 HD3 PRO A 32 -0.237 -5.368 -11.989 1.00 1.00 H new ATOM 500 N TYR A 33 -1.945 -1.404 -10.819 1.00 1.00 N ATOM 501 CA TYR A 33 -2.602 -0.425 -9.958 1.00 1.00 C ATOM 502 C TYR A 33 -1.780 0.859 -9.876 1.00 1.00 C ATOM 503 O TYR A 33 -2.329 1.943 -9.678 1.00 1.00 O ATOM 504 CB TYR A 33 -2.796 -1.002 -8.554 1.00 1.00 C ATOM 505 CG TYR A 33 -3.895 -2.036 -8.584 1.00 1.00 C ATOM 506 CD1 TYR A 33 -3.608 -3.355 -8.949 1.00 1.00 C ATOM 507 CD2 TYR A 33 -5.204 -1.672 -8.245 1.00 1.00 C ATOM 508 CE1 TYR A 33 -4.629 -4.312 -8.976 1.00 1.00 C ATOM 509 CE2 TYR A 33 -6.226 -2.629 -8.275 1.00 1.00 C ATOM 510 CZ TYR A 33 -5.939 -3.949 -8.640 1.00 1.00 C ATOM 511 OH TYR A 33 -6.945 -4.892 -8.668 1.00 1.00 O ATOM 0 H TYR A 33 -1.242 -1.977 -10.353 1.00 1.00 H new ATOM 0 HA TYR A 33 -3.576 -0.192 -10.389 1.00 1.00 H new ATOM 0 HB2 TYR A 33 -1.868 -1.452 -8.202 1.00 1.00 H new ATOM 0 HB3 TYR A 33 -3.049 -0.206 -7.854 1.00 1.00 H new ATOM 0 HD1 TYR A 33 -2.598 -3.635 -9.210 1.00 1.00 H new ATOM 0 HD2 TYR A 33 -5.425 -0.654 -7.961 1.00 1.00 H new ATOM 0 HE1 TYR A 33 -4.406 -5.331 -9.256 1.00 1.00 H new ATOM 0 HE2 TYR A 33 -7.236 -2.348 -8.016 1.00 1.00 H new ATOM 0 HH TYR A 33 -7.792 -4.474 -8.407 1.00 1.00 H new ATOM 521 N ALA A 34 -0.466 0.731 -10.027 1.00 1.00 N ATOM 522 CA ALA A 34 0.417 1.890 -9.965 1.00 1.00 C ATOM 523 C ALA A 34 1.860 1.478 -10.228 1.00 1.00 C ATOM 524 O ALA A 34 2.129 0.350 -10.639 1.00 1.00 O ATOM 525 CB ALA A 34 0.319 2.555 -8.590 1.00 1.00 C ATOM 0 H ALA A 34 0.008 -0.157 -10.192 1.00 1.00 H new ATOM 0 HA ALA A 34 0.105 2.598 -10.732 1.00 1.00 H new ATOM 0 HB1 ALA A 34 0.983 3.419 -8.556 1.00 1.00 H new ATOM 0 HB2 ALA A 34 -0.707 2.878 -8.414 1.00 1.00 H new ATOM 0 HB3 ALA A 34 0.612 1.842 -7.819 1.00 1.00 H new ATOM 531 N SER A 35 2.781 2.403 -9.981 1.00 1.00 N ATOM 532 CA SER A 35 4.201 2.136 -10.188 1.00 1.00 C ATOM 533 C SER A 35 4.914 1.995 -8.847 1.00 1.00 C ATOM 534 O SER A 35 4.873 2.901 -8.015 1.00 1.00 O ATOM 535 CB SER A 35 4.835 3.273 -10.988 1.00 1.00 C ATOM 536 OG SER A 35 3.859 4.279 -11.230 1.00 1.00 O ATOM 0 H SER A 35 2.572 3.341 -9.639 1.00 1.00 H new ATOM 0 HA SER A 35 4.302 1.204 -10.744 1.00 1.00 H new ATOM 0 HB2 SER A 35 5.678 3.693 -10.439 1.00 1.00 H new ATOM 0 HB3 SER A 35 5.226 2.895 -11.933 1.00 1.00 H new ATOM 0 HG SER A 35 4.263 5.011 -11.742 1.00 1.00 H new ATOM 542 N LEU A 36 5.568 0.853 -8.649 1.00 1.00 N ATOM 543 CA LEU A 36 6.290 0.597 -7.405 1.00 1.00 C ATOM 544 C LEU A 36 7.793 0.570 -7.658 1.00 1.00 C ATOM 545 O LEU A 36 8.241 0.616 -8.804 1.00 1.00 O ATOM 546 CB LEU A 36 5.851 -0.740 -6.798 1.00 1.00 C ATOM 547 CG LEU A 36 5.021 -1.533 -7.814 1.00 1.00 C ATOM 548 CD1 LEU A 36 4.851 -2.972 -7.324 1.00 1.00 C ATOM 549 CD2 LEU A 36 3.639 -0.889 -7.967 1.00 1.00 C ATOM 0 H LEU A 36 5.613 0.094 -9.329 1.00 1.00 H new ATOM 0 HA LEU A 36 6.059 1.401 -6.706 1.00 1.00 H new ATOM 0 HB2 LEU A 36 6.726 -1.318 -6.501 1.00 1.00 H new ATOM 0 HB3 LEU A 36 5.265 -0.564 -5.896 1.00 1.00 H new ATOM 0 HG LEU A 36 5.534 -1.530 -8.776 1.00 1.00 H new ATOM 0 HD11 LEU A 36 4.261 -3.535 -8.047 1.00 1.00 H new ATOM 0 HD12 LEU A 36 5.831 -3.437 -7.214 1.00 1.00 H new ATOM 0 HD13 LEU A 36 4.340 -2.971 -6.361 1.00 1.00 H new ATOM 0 HD21 LEU A 36 3.052 -1.455 -8.690 1.00 1.00 H new ATOM 0 HD22 LEU A 36 3.128 -0.890 -7.004 1.00 1.00 H new ATOM 0 HD23 LEU A 36 3.752 0.137 -8.316 1.00 1.00 H new ATOM 561 N ALA A 37 8.569 0.496 -6.581 1.00 1.00 N ATOM 562 CA ALA A 37 10.021 0.462 -6.700 1.00 1.00 C ATOM 563 C ALA A 37 10.621 -0.430 -5.616 1.00 1.00 C ATOM 564 O ALA A 37 10.320 -0.274 -4.432 1.00 1.00 O ATOM 565 CB ALA A 37 10.587 1.880 -6.587 1.00 1.00 C ATOM 0 H ALA A 37 8.219 0.459 -5.624 1.00 1.00 H new ATOM 0 HA ALA A 37 10.284 0.051 -7.675 1.00 1.00 H new ATOM 0 HB1 ALA A 37 11.673 1.847 -6.677 1.00 1.00 H new ATOM 0 HB2 ALA A 37 10.176 2.500 -7.383 1.00 1.00 H new ATOM 0 HB3 ALA A 37 10.316 2.304 -5.620 1.00 1.00 H new ATOM 571 N VAL A 38 11.460 -1.373 -6.032 1.00 1.00 N ATOM 572 CA VAL A 38 12.092 -2.297 -5.095 1.00 1.00 C ATOM 573 C VAL A 38 12.720 -1.554 -3.917 1.00 1.00 C ATOM 574 O VAL A 38 12.663 -2.019 -2.777 1.00 1.00 O ATOM 575 CB VAL A 38 13.170 -3.109 -5.814 1.00 1.00 C ATOM 576 CG1 VAL A 38 13.980 -3.903 -4.789 1.00 1.00 C ATOM 577 CG2 VAL A 38 12.508 -4.075 -6.798 1.00 1.00 C ATOM 0 H VAL A 38 11.718 -1.518 -7.008 1.00 1.00 H new ATOM 0 HA VAL A 38 11.319 -2.962 -4.709 1.00 1.00 H new ATOM 0 HB VAL A 38 13.832 -2.434 -6.356 1.00 1.00 H new ATOM 0 HG11 VAL A 38 14.748 -4.482 -5.302 1.00 1.00 H new ATOM 0 HG12 VAL A 38 14.452 -3.216 -4.087 1.00 1.00 H new ATOM 0 HG13 VAL A 38 13.318 -4.579 -4.247 1.00 1.00 H new ATOM 0 HG21 VAL A 38 13.276 -4.654 -7.311 1.00 1.00 H new ATOM 0 HG22 VAL A 38 11.846 -4.750 -6.256 1.00 1.00 H new ATOM 0 HG23 VAL A 38 11.930 -3.510 -7.529 1.00 1.00 H new ATOM 587 N ASN A 39 13.331 -0.406 -4.196 1.00 1.00 N ATOM 588 CA ASN A 39 13.981 0.379 -3.149 1.00 1.00 C ATOM 589 C ASN A 39 12.969 1.217 -2.372 1.00 1.00 C ATOM 590 O ASN A 39 13.347 1.979 -1.481 1.00 1.00 O ATOM 591 CB ASN A 39 15.035 1.297 -3.769 1.00 1.00 C ATOM 592 CG ASN A 39 14.413 2.646 -4.113 1.00 1.00 C ATOM 593 OD1 ASN A 39 14.356 3.539 -3.268 1.00 1.00 O ATOM 594 ND2 ASN A 39 13.940 2.847 -5.313 1.00 1.00 N ATOM 0 H ASN A 39 13.390 -0.000 -5.130 1.00 1.00 H new ATOM 0 HA ASN A 39 14.455 -0.314 -2.454 1.00 1.00 H new ATOM 0 HB2 ASN A 39 15.863 1.436 -3.074 1.00 1.00 H new ATOM 0 HB3 ASN A 39 15.447 0.837 -4.667 1.00 1.00 H new ATOM 0 HD21 ASN A 39 13.522 3.746 -5.552 1.00 1.00 H new ATOM 0 HD22 ASN A 39 13.989 2.105 -6.011 1.00 1.00 H new ATOM 601 N ASN A 40 11.691 1.077 -2.711 1.00 1.00 N ATOM 602 CA ASN A 40 10.636 1.836 -2.035 1.00 1.00 C ATOM 603 C ASN A 40 9.712 0.904 -1.253 1.00 1.00 C ATOM 604 O ASN A 40 8.746 1.355 -0.636 1.00 1.00 O ATOM 605 CB ASN A 40 9.818 2.626 -3.066 1.00 1.00 C ATOM 606 CG ASN A 40 9.520 4.048 -2.589 1.00 1.00 C ATOM 607 OD1 ASN A 40 9.897 4.439 -1.484 1.00 1.00 O ATOM 608 ND2 ASN A 40 8.846 4.845 -3.371 1.00 1.00 N ATOM 0 H ASN A 40 11.359 0.450 -3.444 1.00 1.00 H new ATOM 0 HA ASN A 40 11.106 2.527 -1.335 1.00 1.00 H new ATOM 0 HB2 ASN A 40 10.364 2.666 -4.009 1.00 1.00 H new ATOM 0 HB3 ASN A 40 8.881 2.105 -3.262 1.00 1.00 H new ATOM 0 HD21 ASN A 40 8.630 5.795 -3.068 1.00 1.00 H new ATOM 0 HD22 ASN A 40 8.535 4.519 -4.286 1.00 1.00 H new ATOM 615 N ILE A 41 10.010 -0.395 -1.276 1.00 1.00 N ATOM 616 CA ILE A 41 9.198 -1.367 -0.561 1.00 1.00 C ATOM 617 C ILE A 41 10.089 -2.344 0.197 1.00 1.00 C ATOM 618 O ILE A 41 11.016 -2.924 -0.370 1.00 1.00 O ATOM 619 CB ILE A 41 8.304 -2.124 -1.544 1.00 1.00 C ATOM 620 CG1 ILE A 41 9.157 -3.013 -2.456 1.00 1.00 C ATOM 621 CG2 ILE A 41 7.525 -1.123 -2.398 1.00 1.00 C ATOM 622 CD1 ILE A 41 8.305 -3.505 -3.628 1.00 1.00 C ATOM 0 H ILE A 41 10.803 -0.792 -1.780 1.00 1.00 H new ATOM 0 HA ILE A 41 8.569 -0.840 0.157 1.00 1.00 H new ATOM 0 HB ILE A 41 7.610 -2.750 -0.983 1.00 1.00 H new ATOM 0 HG12 ILE A 41 10.017 -2.454 -2.826 1.00 1.00 H new ATOM 0 HG13 ILE A 41 9.547 -3.862 -1.894 1.00 1.00 H new ATOM 0 HG21 ILE A 41 6.887 -1.662 -3.099 1.00 1.00 H new ATOM 0 HG22 ILE A 41 6.908 -0.497 -1.753 1.00 1.00 H new ATOM 0 HG23 ILE A 41 8.224 -0.496 -2.951 1.00 1.00 H new ATOM 0 HD11 ILE A 41 8.910 -4.137 -4.278 1.00 1.00 H new ATOM 0 HD12 ILE A 41 7.460 -4.079 -3.248 1.00 1.00 H new ATOM 0 HD13 ILE A 41 7.937 -2.650 -4.195 1.00 1.00 H new ATOM 634 N ARG A 42 9.810 -2.513 1.486 1.00 1.00 N ATOM 635 CA ARG A 42 10.596 -3.414 2.320 1.00 1.00 C ATOM 636 C ARG A 42 9.688 -4.313 3.151 1.00 1.00 C ATOM 637 O ARG A 42 8.695 -3.855 3.715 1.00 1.00 O ATOM 638 CB ARG A 42 11.505 -2.608 3.251 1.00 1.00 C ATOM 639 CG ARG A 42 12.398 -3.561 4.048 1.00 1.00 C ATOM 640 CD ARG A 42 13.549 -2.774 4.678 1.00 1.00 C ATOM 641 NE ARG A 42 14.445 -2.275 3.642 1.00 1.00 N ATOM 642 CZ ARG A 42 15.296 -1.284 3.888 1.00 1.00 C ATOM 643 NH1 ARG A 42 15.342 -0.744 5.074 1.00 1.00 N ATOM 644 NH2 ARG A 42 16.087 -0.853 2.943 1.00 1.00 N ATOM 0 H ARG A 42 9.049 -2.040 1.973 1.00 1.00 H new ATOM 0 HA ARG A 42 11.205 -4.038 1.666 1.00 1.00 H new ATOM 0 HB2 ARG A 42 12.118 -1.919 2.670 1.00 1.00 H new ATOM 0 HB3 ARG A 42 10.903 -2.004 3.930 1.00 1.00 H new ATOM 0 HG2 ARG A 42 11.816 -4.059 4.824 1.00 1.00 H new ATOM 0 HG3 ARG A 42 12.791 -4.340 3.395 1.00 1.00 H new ATOM 0 HD2 ARG A 42 13.154 -1.941 5.259 1.00 1.00 H new ATOM 0 HD3 ARG A 42 14.100 -3.412 5.369 1.00 1.00 H new ATOM 0 HE ARG A 42 14.418 -2.694 2.712 1.00 1.00 H new ATOM 0 HH11 ARG A 42 14.725 -1.082 5.813 1.00 1.00 H new ATOM 0 HH12 ARG A 42 15.995 0.016 5.263 1.00 1.00 H new ATOM 0 HH21 ARG A 42 16.052 -1.277 2.016 1.00 1.00 H new ATOM 0 HH22 ARG A 42 16.740 -0.093 3.132 1.00 1.00 H new ATOM 658 N LEU A 43 10.041 -5.590 3.228 1.00 1.00 N ATOM 659 CA LEU A 43 9.253 -6.541 4.003 1.00 1.00 C ATOM 660 C LEU A 43 9.922 -6.793 5.350 1.00 1.00 C ATOM 661 O LEU A 43 11.144 -6.918 5.432 1.00 1.00 O ATOM 662 CB LEU A 43 9.125 -7.861 3.239 1.00 1.00 C ATOM 663 CG LEU A 43 7.788 -8.521 3.572 1.00 1.00 C ATOM 664 CD1 LEU A 43 6.710 -8.000 2.620 1.00 1.00 C ATOM 665 CD2 LEU A 43 7.917 -10.036 3.411 1.00 1.00 C ATOM 0 H LEU A 43 10.860 -5.989 2.768 1.00 1.00 H new ATOM 0 HA LEU A 43 8.259 -6.124 4.167 1.00 1.00 H new ATOM 0 HB2 LEU A 43 9.195 -7.680 2.166 1.00 1.00 H new ATOM 0 HB3 LEU A 43 9.946 -8.527 3.504 1.00 1.00 H new ATOM 0 HG LEU A 43 7.511 -8.284 4.599 1.00 1.00 H new ATOM 0 HD11 LEU A 43 5.756 -8.471 2.858 1.00 1.00 H new ATOM 0 HD12 LEU A 43 6.619 -6.919 2.730 1.00 1.00 H new ATOM 0 HD13 LEU A 43 6.986 -8.238 1.593 1.00 1.00 H new ATOM 0 HD21 LEU A 43 6.964 -10.510 3.648 1.00 1.00 H new ATOM 0 HD22 LEU A 43 8.193 -10.270 2.383 1.00 1.00 H new ATOM 0 HD23 LEU A 43 8.686 -10.410 4.087 1.00 1.00 H new ATOM 677 N ILE A 44 9.117 -6.862 6.402 1.00 1.00 N ATOM 678 CA ILE A 44 9.650 -7.098 7.739 1.00 1.00 C ATOM 679 C ILE A 44 9.735 -8.593 8.021 1.00 1.00 C ATOM 680 O ILE A 44 8.753 -9.216 8.423 1.00 1.00 O ATOM 681 CB ILE A 44 8.759 -6.419 8.780 1.00 1.00 C ATOM 682 CG1 ILE A 44 9.350 -6.632 10.177 1.00 1.00 C ATOM 683 CG2 ILE A 44 7.355 -7.019 8.724 1.00 1.00 C ATOM 684 CD1 ILE A 44 9.524 -5.278 10.867 1.00 1.00 C ATOM 0 H ILE A 44 8.103 -6.759 6.358 1.00 1.00 H new ATOM 0 HA ILE A 44 10.653 -6.676 7.796 1.00 1.00 H new ATOM 0 HB ILE A 44 8.705 -5.351 8.567 1.00 1.00 H new ATOM 0 HG12 ILE A 44 8.694 -7.272 10.768 1.00 1.00 H new ATOM 0 HG13 ILE A 44 10.311 -7.141 10.104 1.00 1.00 H new ATOM 0 HG21 ILE A 44 6.722 -6.534 9.467 1.00 1.00 H new ATOM 0 HG22 ILE A 44 6.933 -6.865 7.731 1.00 1.00 H new ATOM 0 HG23 ILE A 44 7.407 -8.087 8.934 1.00 1.00 H new ATOM 0 HD11 ILE A 44 9.945 -5.428 11.861 1.00 1.00 H new ATOM 0 HD12 ILE A 44 10.197 -4.654 10.279 1.00 1.00 H new ATOM 0 HD13 ILE A 44 8.555 -4.786 10.953 1.00 1.00 H new ATOM 696 N LYS A 45 10.917 -9.165 7.809 1.00 1.00 N ATOM 697 CA LYS A 45 11.116 -10.592 8.043 1.00 1.00 C ATOM 698 C LYS A 45 11.621 -10.835 9.461 1.00 1.00 C ATOM 699 O LYS A 45 12.436 -10.072 9.979 1.00 1.00 O ATOM 700 CB LYS A 45 12.115 -11.170 7.032 1.00 1.00 C ATOM 701 CG LYS A 45 11.490 -12.373 6.322 1.00 1.00 C ATOM 702 CD LYS A 45 12.460 -12.903 5.266 1.00 1.00 C ATOM 703 CE LYS A 45 11.805 -12.820 3.885 1.00 1.00 C ATOM 704 NZ LYS A 45 12.745 -13.350 2.857 1.00 1.00 N ATOM 0 H LYS A 45 11.744 -8.668 7.479 1.00 1.00 H new ATOM 0 HA LYS A 45 10.156 -11.093 7.917 1.00 1.00 H new ATOM 0 HB2 LYS A 45 12.392 -10.408 6.303 1.00 1.00 H new ATOM 0 HB3 LYS A 45 13.030 -11.471 7.542 1.00 1.00 H new ATOM 0 HG2 LYS A 45 11.259 -13.156 7.045 1.00 1.00 H new ATOM 0 HG3 LYS A 45 10.549 -12.084 5.854 1.00 1.00 H new ATOM 0 HD2 LYS A 45 13.382 -12.321 5.279 1.00 1.00 H new ATOM 0 HD3 LYS A 45 12.731 -13.935 5.491 1.00 1.00 H new ATOM 0 HE2 LYS A 45 10.878 -13.393 3.875 1.00 1.00 H new ATOM 0 HE3 LYS A 45 11.544 -11.787 3.656 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 12.301 -13.294 1.918 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 13.618 -12.785 2.861 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 12.973 -14.341 3.073 1.00 1.00 H new ATOM 718 N ASP A 46 11.126 -11.903 10.080 1.00 1.00 N ATOM 719 CA ASP A 46 11.523 -12.246 11.442 1.00 1.00 C ATOM 720 C ASP A 46 12.382 -13.506 11.452 1.00 1.00 C ATOM 721 O ASP A 46 12.412 -14.255 10.476 1.00 1.00 O ATOM 722 CB ASP A 46 10.280 -12.468 12.305 1.00 1.00 C ATOM 723 CG ASP A 46 10.598 -12.169 13.766 1.00 1.00 C ATOM 724 OD1 ASP A 46 11.607 -12.659 14.244 1.00 1.00 O ATOM 725 OD2 ASP A 46 9.829 -11.450 14.384 1.00 1.00 O ATOM 0 H ASP A 46 10.452 -12.544 9.662 1.00 1.00 H new ATOM 0 HA ASP A 46 12.108 -11.421 11.848 1.00 1.00 H new ATOM 0 HB2 ASP A 46 9.470 -11.825 11.962 1.00 1.00 H new ATOM 0 HB3 ASP A 46 9.935 -13.497 12.203 1.00 1.00 H new ATOM 730 N LYS A 47 13.077 -13.734 12.562 1.00 1.00 N ATOM 731 CA LYS A 47 13.932 -14.910 12.688 1.00 1.00 C ATOM 732 C LYS A 47 13.152 -16.077 13.289 1.00 1.00 C ATOM 733 O LYS A 47 13.720 -17.129 13.583 1.00 1.00 O ATOM 734 CB LYS A 47 15.139 -14.588 13.574 1.00 1.00 C ATOM 735 CG LYS A 47 16.426 -14.676 12.749 1.00 1.00 C ATOM 736 CD LYS A 47 16.680 -16.129 12.343 1.00 1.00 C ATOM 737 CE LYS A 47 16.926 -16.202 10.834 1.00 1.00 C ATOM 738 NZ LYS A 47 17.170 -17.618 10.439 1.00 1.00 N ATOM 0 H LYS A 47 13.066 -13.126 13.381 1.00 1.00 H new ATOM 0 HA LYS A 47 14.278 -15.193 11.694 1.00 1.00 H new ATOM 0 HB2 LYS A 47 15.035 -13.589 13.997 1.00 1.00 H new ATOM 0 HB3 LYS A 47 15.184 -15.285 14.411 1.00 1.00 H new ATOM 0 HG2 LYS A 47 16.344 -14.049 11.861 1.00 1.00 H new ATOM 0 HG3 LYS A 47 17.268 -14.298 13.329 1.00 1.00 H new ATOM 0 HD2 LYS A 47 17.542 -16.523 12.882 1.00 1.00 H new ATOM 0 HD3 LYS A 47 15.824 -16.748 12.613 1.00 1.00 H new ATOM 0 HE2 LYS A 47 16.066 -15.806 10.295 1.00 1.00 H new ATOM 0 HE3 LYS A 47 17.783 -15.585 10.564 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 17.337 -17.669 9.414 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 18.004 -17.981 10.944 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 16.340 -18.195 10.683 1.00 1.00 H new ATOM 752 N GLN A 48 11.849 -15.885 13.471 1.00 1.00 N ATOM 753 CA GLN A 48 11.006 -16.932 14.040 1.00 1.00 C ATOM 754 C GLN A 48 10.423 -17.813 12.939 1.00 1.00 C ATOM 755 O GLN A 48 10.631 -19.026 12.930 1.00 1.00 O ATOM 756 CB GLN A 48 9.870 -16.304 14.849 1.00 1.00 C ATOM 757 CG GLN A 48 9.868 -16.882 16.266 1.00 1.00 C ATOM 758 CD GLN A 48 11.121 -16.438 17.012 1.00 1.00 C ATOM 759 OE1 GLN A 48 11.961 -15.731 16.453 1.00 1.00 O ATOM 760 NE2 GLN A 48 11.301 -16.815 18.249 1.00 1.00 N ATOM 0 H GLN A 48 11.357 -15.023 13.235 1.00 1.00 H new ATOM 0 HA GLN A 48 11.621 -17.550 14.694 1.00 1.00 H new ATOM 0 HB2 GLN A 48 9.992 -15.222 14.887 1.00 1.00 H new ATOM 0 HB3 GLN A 48 8.914 -16.500 14.364 1.00 1.00 H new ATOM 0 HG2 GLN A 48 8.979 -16.550 16.802 1.00 1.00 H new ATOM 0 HG3 GLN A 48 9.827 -17.970 16.224 1.00 1.00 H new ATOM 0 HE21 GLN A 48 10.605 -17.400 18.710 1.00 1.00 H new ATOM 0 HE22 GLN A 48 12.138 -16.524 18.754 1.00 1.00 H new ATOM 769 N THR A 49 9.698 -17.193 12.012 1.00 1.00 N ATOM 770 CA THR A 49 9.092 -17.928 10.906 1.00 1.00 C ATOM 771 C THR A 49 9.816 -17.613 9.603 1.00 1.00 C ATOM 772 O THR A 49 9.310 -17.891 8.516 1.00 1.00 O ATOM 773 CB THR A 49 7.614 -17.553 10.775 1.00 1.00 C ATOM 774 OG1 THR A 49 7.300 -16.533 11.712 1.00 1.00 O ATOM 775 CG2 THR A 49 6.748 -18.784 11.047 1.00 1.00 C ATOM 0 H THR A 49 9.517 -16.189 12.004 1.00 1.00 H new ATOM 0 HA THR A 49 9.176 -18.995 11.111 1.00 1.00 H new ATOM 0 HB THR A 49 7.419 -17.190 9.766 1.00 1.00 H new ATOM 0 HG1 THR A 49 6.354 -16.291 11.628 1.00 1.00 H new ATOM 0 HG21 THR A 49 5.696 -18.516 10.954 1.00 1.00 H new ATOM 0 HG22 THR A 49 6.989 -19.565 10.326 1.00 1.00 H new ATOM 0 HG23 THR A 49 6.941 -19.149 12.056 1.00 1.00 H new ATOM 783 N GLN A 50 11.004 -17.027 9.722 1.00 1.00 N ATOM 784 CA GLN A 50 11.795 -16.673 8.549 1.00 1.00 C ATOM 785 C GLN A 50 10.902 -16.097 7.456 1.00 1.00 C ATOM 786 O GLN A 50 11.155 -16.292 6.268 1.00 1.00 O ATOM 787 CB GLN A 50 12.523 -17.909 8.015 1.00 1.00 C ATOM 788 CG GLN A 50 13.624 -18.320 8.996 1.00 1.00 C ATOM 789 CD GLN A 50 13.003 -18.814 10.299 1.00 1.00 C ATOM 790 OE1 GLN A 50 12.019 -19.553 10.276 1.00 1.00 O ATOM 791 NE2 GLN A 50 13.524 -18.451 11.439 1.00 1.00 N ATOM 0 H GLN A 50 11.438 -16.789 10.614 1.00 1.00 H new ATOM 0 HA GLN A 50 12.526 -15.920 8.842 1.00 1.00 H new ATOM 0 HB2 GLN A 50 11.818 -18.729 7.880 1.00 1.00 H new ATOM 0 HB3 GLN A 50 12.954 -17.695 7.037 1.00 1.00 H new ATOM 0 HG2 GLN A 50 14.240 -19.105 8.557 1.00 1.00 H new ATOM 0 HG3 GLN A 50 14.281 -17.473 9.195 1.00 1.00 H new ATOM 0 HE21 GLN A 50 14.339 -17.839 11.455 1.00 1.00 H new ATOM 0 HE22 GLN A 50 13.116 -18.780 12.314 1.00 1.00 H new ATOM 800 N GLN A 51 9.851 -15.392 7.866 1.00 1.00 N ATOM 801 CA GLN A 51 8.922 -14.798 6.909 1.00 1.00 C ATOM 802 C GLN A 51 8.169 -13.628 7.537 1.00 1.00 C ATOM 803 O GLN A 51 8.148 -13.466 8.757 1.00 1.00 O ATOM 804 CB GLN A 51 7.909 -15.849 6.433 1.00 1.00 C ATOM 805 CG GLN A 51 8.604 -16.901 5.562 1.00 1.00 C ATOM 806 CD GLN A 51 7.564 -17.711 4.795 1.00 1.00 C ATOM 807 OE1 GLN A 51 7.019 -17.238 3.798 1.00 1.00 O ATOM 808 NE2 GLN A 51 7.258 -18.912 5.203 1.00 1.00 N ATOM 0 H GLN A 51 9.622 -15.219 8.845 1.00 1.00 H new ATOM 0 HA GLN A 51 9.501 -14.434 6.061 1.00 1.00 H new ATOM 0 HB2 GLN A 51 7.442 -16.330 7.293 1.00 1.00 H new ATOM 0 HB3 GLN A 51 7.113 -15.366 5.866 1.00 1.00 H new ATOM 0 HG2 GLN A 51 9.286 -16.415 4.864 1.00 1.00 H new ATOM 0 HG3 GLN A 51 9.205 -17.563 6.186 1.00 1.00 H new ATOM 0 HE21 GLN A 51 7.712 -19.301 6.030 1.00 1.00 H new ATOM 0 HE22 GLN A 51 6.565 -19.462 4.695 1.00 1.00 H new ATOM 817 N ASN A 52 7.549 -12.816 6.683 1.00 1.00 N ATOM 818 CA ASN A 52 6.787 -11.658 7.137 1.00 1.00 C ATOM 819 C ASN A 52 6.013 -11.977 8.418 1.00 1.00 C ATOM 820 O ASN A 52 5.465 -13.070 8.568 1.00 1.00 O ATOM 821 CB ASN A 52 5.817 -11.229 6.033 1.00 1.00 C ATOM 822 CG ASN A 52 5.520 -12.413 5.117 1.00 1.00 C ATOM 823 OD1 ASN A 52 5.644 -12.302 3.896 1.00 1.00 O ATOM 824 ND2 ASN A 52 5.128 -13.545 5.635 1.00 1.00 N ATOM 0 H ASN A 52 7.560 -12.940 5.671 1.00 1.00 H new ATOM 0 HA ASN A 52 7.481 -10.846 7.357 1.00 1.00 H new ATOM 0 HB2 ASN A 52 4.892 -10.857 6.473 1.00 1.00 H new ATOM 0 HB3 ASN A 52 6.247 -10.410 5.456 1.00 1.00 H new ATOM 0 HD21 ASN A 52 4.924 -14.340 5.029 1.00 1.00 H new ATOM 0 HD22 ASN A 52 5.026 -13.635 6.646 1.00 1.00 H new ATOM 831 N ARG A 53 5.978 -11.016 9.343 1.00 1.00 N ATOM 832 CA ARG A 53 5.274 -11.204 10.612 1.00 1.00 C ATOM 833 C ARG A 53 3.823 -10.737 10.504 1.00 1.00 C ATOM 834 O ARG A 53 3.250 -10.226 11.467 1.00 1.00 O ATOM 835 CB ARG A 53 5.982 -10.423 11.725 1.00 1.00 C ATOM 836 CG ARG A 53 6.106 -11.302 12.972 1.00 1.00 C ATOM 837 CD ARG A 53 6.758 -10.498 14.099 1.00 1.00 C ATOM 838 NE ARG A 53 5.875 -9.418 14.523 1.00 1.00 N ATOM 839 CZ ARG A 53 6.091 -8.758 15.658 1.00 1.00 C ATOM 840 NH1 ARG A 53 7.109 -9.073 16.411 1.00 1.00 N ATOM 841 NH2 ARG A 53 5.286 -7.796 16.016 1.00 1.00 N ATOM 0 H ARG A 53 6.426 -10.106 9.238 1.00 1.00 H new ATOM 0 HA ARG A 53 5.281 -12.268 10.851 1.00 1.00 H new ATOM 0 HB2 ARG A 53 6.970 -10.109 11.390 1.00 1.00 H new ATOM 0 HB3 ARG A 53 5.422 -9.518 11.960 1.00 1.00 H new ATOM 0 HG2 ARG A 53 5.122 -11.652 13.283 1.00 1.00 H new ATOM 0 HG3 ARG A 53 6.703 -12.186 12.749 1.00 1.00 H new ATOM 0 HD2 ARG A 53 6.976 -11.152 14.943 1.00 1.00 H new ATOM 0 HD3 ARG A 53 7.709 -10.088 13.760 1.00 1.00 H new ATOM 0 HE ARG A 53 5.078 -9.164 13.939 1.00 1.00 H new ATOM 0 HH11 ARG A 53 7.738 -9.825 16.129 1.00 1.00 H new ATOM 0 HH12 ARG A 53 7.275 -8.568 17.281 1.00 1.00 H new ATOM 0 HH21 ARG A 53 4.491 -7.550 15.426 1.00 1.00 H new ATOM 0 HH22 ARG A 53 5.451 -7.290 16.886 1.00 1.00 H new ATOM 855 N GLY A 54 3.231 -10.922 9.332 1.00 1.00 N ATOM 856 CA GLY A 54 1.847 -10.519 9.115 1.00 1.00 C ATOM 857 C GLY A 54 1.746 -9.027 8.809 1.00 1.00 C ATOM 858 O GLY A 54 0.710 -8.407 9.046 1.00 1.00 O ATOM 0 H GLY A 54 3.683 -11.345 8.522 1.00 1.00 H new ATOM 0 HA2 GLY A 54 1.424 -11.091 8.289 1.00 1.00 H new ATOM 0 HA3 GLY A 54 1.255 -10.752 10.000 1.00 1.00 H new ATOM 862 N PHE A 55 2.826 -8.454 8.280 1.00 1.00 N ATOM 863 CA PHE A 55 2.836 -7.028 7.951 1.00 1.00 C ATOM 864 C PHE A 55 3.863 -6.723 6.862 1.00 1.00 C ATOM 865 O PHE A 55 4.912 -7.359 6.785 1.00 1.00 O ATOM 866 CB PHE A 55 3.157 -6.208 9.204 1.00 1.00 C ATOM 867 CG PHE A 55 2.108 -6.465 10.259 1.00 1.00 C ATOM 868 CD1 PHE A 55 0.827 -5.917 10.120 1.00 1.00 C ATOM 869 CD2 PHE A 55 2.416 -7.249 11.377 1.00 1.00 C ATOM 870 CE1 PHE A 55 -0.145 -6.155 11.098 1.00 1.00 C ATOM 871 CE2 PHE A 55 1.444 -7.486 12.356 1.00 1.00 C ATOM 872 CZ PHE A 55 0.163 -6.939 12.217 1.00 1.00 C ATOM 0 H PHE A 55 3.695 -8.946 8.072 1.00 1.00 H new ATOM 0 HA PHE A 55 1.848 -6.758 7.578 1.00 1.00 H new ATOM 0 HB2 PHE A 55 4.143 -6.476 9.584 1.00 1.00 H new ATOM 0 HB3 PHE A 55 3.188 -5.146 8.958 1.00 1.00 H new ATOM 0 HD1 PHE A 55 0.589 -5.311 9.258 1.00 1.00 H new ATOM 0 HD2 PHE A 55 3.404 -7.671 11.484 1.00 1.00 H new ATOM 0 HE1 PHE A 55 -1.134 -5.734 10.990 1.00 1.00 H new ATOM 0 HE2 PHE A 55 1.682 -8.091 13.218 1.00 1.00 H new ATOM 0 HZ PHE A 55 -0.587 -7.121 12.972 1.00 1.00 H new ATOM 882 N ALA A 56 3.545 -5.738 6.021 1.00 1.00 N ATOM 883 CA ALA A 56 4.440 -5.342 4.935 1.00 1.00 C ATOM 884 C ALA A 56 4.405 -3.830 4.743 1.00 1.00 C ATOM 885 O ALA A 56 3.333 -3.229 4.663 1.00 1.00 O ATOM 886 CB ALA A 56 4.015 -6.032 3.638 1.00 1.00 C ATOM 0 H ALA A 56 2.678 -5.202 6.071 1.00 1.00 H new ATOM 0 HA ALA A 56 5.456 -5.642 5.192 1.00 1.00 H new ATOM 0 HB1 ALA A 56 4.685 -5.734 2.831 1.00 1.00 H new ATOM 0 HB2 ALA A 56 4.062 -7.113 3.769 1.00 1.00 H new ATOM 0 HB3 ALA A 56 2.995 -5.741 3.389 1.00 1.00 H new ATOM 892 N PHE A 57 5.583 -3.220 4.668 1.00 1.00 N ATOM 893 CA PHE A 57 5.678 -1.776 4.485 1.00 1.00 C ATOM 894 C PHE A 57 5.915 -1.444 3.013 1.00 1.00 C ATOM 895 O PHE A 57 6.713 -2.095 2.343 1.00 1.00 O ATOM 896 CB PHE A 57 6.832 -1.221 5.325 1.00 1.00 C ATOM 897 CG PHE A 57 6.396 -1.078 6.767 1.00 1.00 C ATOM 898 CD1 PHE A 57 6.014 -2.211 7.496 1.00 1.00 C ATOM 899 CD2 PHE A 57 6.378 0.184 7.373 1.00 1.00 C ATOM 900 CE1 PHE A 57 5.615 -2.081 8.833 1.00 1.00 C ATOM 901 CE2 PHE A 57 5.978 0.312 8.709 1.00 1.00 C ATOM 902 CZ PHE A 57 5.597 -0.820 9.439 1.00 1.00 C ATOM 0 H PHE A 57 6.481 -3.700 4.731 1.00 1.00 H new ATOM 0 HA PHE A 57 4.741 -1.321 4.807 1.00 1.00 H new ATOM 0 HB2 PHE A 57 7.693 -1.886 5.260 1.00 1.00 H new ATOM 0 HB3 PHE A 57 7.146 -0.254 4.933 1.00 1.00 H new ATOM 0 HD1 PHE A 57 6.027 -3.184 7.028 1.00 1.00 H new ATOM 0 HD2 PHE A 57 6.672 1.058 6.811 1.00 1.00 H new ATOM 0 HE1 PHE A 57 5.321 -2.955 9.396 1.00 1.00 H new ATOM 0 HE2 PHE A 57 5.963 1.285 9.177 1.00 1.00 H new ATOM 0 HZ PHE A 57 5.289 -0.720 10.469 1.00 1.00 H new ATOM 912 N VAL A 58 5.215 -0.427 2.515 1.00 1.00 N ATOM 913 CA VAL A 58 5.364 -0.028 1.117 1.00 1.00 C ATOM 914 C VAL A 58 5.294 1.489 0.973 1.00 1.00 C ATOM 915 O VAL A 58 4.353 2.123 1.449 1.00 1.00 O ATOM 916 CB VAL A 58 4.267 -0.670 0.266 1.00 1.00 C ATOM 917 CG1 VAL A 58 2.921 -0.556 0.982 1.00 1.00 C ATOM 918 CG2 VAL A 58 4.184 0.045 -1.084 1.00 1.00 C ATOM 0 H VAL A 58 4.548 0.129 3.050 1.00 1.00 H new ATOM 0 HA VAL A 58 6.340 -0.369 0.772 1.00 1.00 H new ATOM 0 HB VAL A 58 4.505 -1.722 0.110 1.00 1.00 H new ATOM 0 HG11 VAL A 58 2.144 -1.015 0.371 1.00 1.00 H new ATOM 0 HG12 VAL A 58 2.976 -1.067 1.943 1.00 1.00 H new ATOM 0 HG13 VAL A 58 2.682 0.495 1.143 1.00 1.00 H new ATOM 0 HG21 VAL A 58 3.402 -0.412 -1.691 1.00 1.00 H new ATOM 0 HG22 VAL A 58 3.950 1.098 -0.924 1.00 1.00 H new ATOM 0 HG23 VAL A 58 5.140 -0.040 -1.600 1.00 1.00 H new ATOM 928 N GLN A 59 6.294 2.063 0.304 1.00 1.00 N ATOM 929 CA GLN A 59 6.335 3.508 0.092 1.00 1.00 C ATOM 930 C GLN A 59 6.173 3.829 -1.388 1.00 1.00 C ATOM 931 O GLN A 59 6.536 3.025 -2.247 1.00 1.00 O ATOM 932 CB GLN A 59 7.658 4.082 0.608 1.00 1.00 C ATOM 933 CG GLN A 59 7.743 5.567 0.253 1.00 1.00 C ATOM 934 CD GLN A 59 8.791 6.251 1.123 1.00 1.00 C ATOM 935 OE1 GLN A 59 9.981 5.955 1.012 1.00 1.00 O ATOM 936 NE2 GLN A 59 8.419 7.152 1.991 1.00 1.00 N ATOM 0 H GLN A 59 7.081 1.553 -0.098 1.00 1.00 H new ATOM 0 HA GLN A 59 5.513 3.963 0.644 1.00 1.00 H new ATOM 0 HB2 GLN A 59 7.727 3.951 1.688 1.00 1.00 H new ATOM 0 HB3 GLN A 59 8.497 3.543 0.167 1.00 1.00 H new ATOM 0 HG2 GLN A 59 8.000 5.684 -0.800 1.00 1.00 H new ATOM 0 HG3 GLN A 59 6.772 6.040 0.399 1.00 1.00 H new ATOM 0 HE21 GLN A 59 7.433 7.396 2.082 1.00 1.00 H new ATOM 0 HE22 GLN A 59 9.114 7.612 2.578 1.00 1.00 H new ATOM 945 N LEU A 60 5.621 5.003 -1.679 1.00 1.00 N ATOM 946 CA LEU A 60 5.408 5.420 -3.063 1.00 1.00 C ATOM 947 C LEU A 60 6.347 6.572 -3.418 1.00 1.00 C ATOM 948 O LEU A 60 6.960 7.175 -2.537 1.00 1.00 O ATOM 949 CB LEU A 60 3.949 5.864 -3.261 1.00 1.00 C ATOM 950 CG LEU A 60 3.058 4.678 -3.664 1.00 1.00 C ATOM 951 CD1 LEU A 60 3.463 4.148 -5.044 1.00 1.00 C ATOM 952 CD2 LEU A 60 3.180 3.550 -2.638 1.00 1.00 C ATOM 0 H LEU A 60 5.314 5.680 -0.980 1.00 1.00 H new ATOM 0 HA LEU A 60 5.618 4.574 -3.718 1.00 1.00 H new ATOM 0 HB2 LEU A 60 3.573 6.308 -2.340 1.00 1.00 H new ATOM 0 HB3 LEU A 60 3.902 6.636 -4.029 1.00 1.00 H new ATOM 0 HG LEU A 60 2.026 5.026 -3.700 1.00 1.00 H new ATOM 0 HD11 LEU A 60 2.822 3.309 -5.314 1.00 1.00 H new ATOM 0 HD12 LEU A 60 3.354 4.940 -5.784 1.00 1.00 H new ATOM 0 HD13 LEU A 60 4.501 3.818 -5.016 1.00 1.00 H new ATOM 0 HD21 LEU A 60 2.544 2.717 -2.936 1.00 1.00 H new ATOM 0 HD22 LEU A 60 4.216 3.215 -2.587 1.00 1.00 H new ATOM 0 HD23 LEU A 60 2.867 3.913 -1.659 1.00 1.00 H new ATOM 964 N SER A 61 6.461 6.867 -4.709 1.00 1.00 N ATOM 965 CA SER A 61 7.336 7.944 -5.164 1.00 1.00 C ATOM 966 C SER A 61 6.940 9.277 -4.535 1.00 1.00 C ATOM 967 O SER A 61 7.799 10.092 -4.199 1.00 1.00 O ATOM 968 CB SER A 61 7.271 8.059 -6.687 1.00 1.00 C ATOM 969 OG SER A 61 6.611 6.918 -7.217 1.00 1.00 O ATOM 0 H SER A 61 5.963 6.380 -5.454 1.00 1.00 H new ATOM 0 HA SER A 61 8.354 7.705 -4.856 1.00 1.00 H new ATOM 0 HB2 SER A 61 6.738 8.966 -6.972 1.00 1.00 H new ATOM 0 HB3 SER A 61 8.277 8.136 -7.100 1.00 1.00 H new ATOM 0 HG SER A 61 6.566 6.990 -8.193 1.00 1.00 H new ATOM 975 N SER A 62 5.640 9.490 -4.385 1.00 1.00 N ATOM 976 CA SER A 62 5.133 10.729 -3.801 1.00 1.00 C ATOM 977 C SER A 62 4.130 10.428 -2.692 1.00 1.00 C ATOM 978 O SER A 62 3.875 9.268 -2.369 1.00 1.00 O ATOM 979 CB SER A 62 4.461 11.577 -4.880 1.00 1.00 C ATOM 980 OG SER A 62 5.259 11.557 -6.057 1.00 1.00 O ATOM 0 H SER A 62 4.917 8.824 -4.658 1.00 1.00 H new ATOM 0 HA SER A 62 5.973 11.279 -3.377 1.00 1.00 H new ATOM 0 HB2 SER A 62 3.465 11.190 -5.095 1.00 1.00 H new ATOM 0 HB3 SER A 62 4.336 12.601 -4.529 1.00 1.00 H new ATOM 0 HG SER A 62 4.830 12.099 -6.752 1.00 1.00 H new ATOM 986 N ALA A 63 3.565 11.482 -2.110 1.00 1.00 N ATOM 987 CA ALA A 63 2.593 11.318 -1.036 1.00 1.00 C ATOM 988 C ALA A 63 1.203 11.053 -1.604 1.00 1.00 C ATOM 989 O ALA A 63 0.518 10.121 -1.183 1.00 1.00 O ATOM 990 CB ALA A 63 2.559 12.575 -0.165 1.00 1.00 C ATOM 0 H ALA A 63 3.762 12.451 -2.362 1.00 1.00 H new ATOM 0 HA ALA A 63 2.893 10.464 -0.429 1.00 1.00 H new ATOM 0 HB1 ALA A 63 1.830 12.444 0.635 1.00 1.00 H new ATOM 0 HB2 ALA A 63 3.545 12.745 0.267 1.00 1.00 H new ATOM 0 HB3 ALA A 63 2.277 13.433 -0.775 1.00 1.00 H new ATOM 996 N MET A 64 0.791 11.876 -2.562 1.00 1.00 N ATOM 997 CA MET A 64 -0.521 11.718 -3.178 1.00 1.00 C ATOM 998 C MET A 64 -0.687 10.303 -3.722 1.00 1.00 C ATOM 999 O MET A 64 -1.762 9.711 -3.619 1.00 1.00 O ATOM 1000 CB MET A 64 -0.691 12.728 -4.313 1.00 1.00 C ATOM 1001 CG MET A 64 -1.844 12.289 -5.218 1.00 1.00 C ATOM 1002 SD MET A 64 -2.477 13.721 -6.125 1.00 1.00 S ATOM 1003 CE MET A 64 -3.544 12.813 -7.269 1.00 1.00 C ATOM 0 H MET A 64 1.342 12.653 -2.927 1.00 1.00 H new ATOM 0 HA MET A 64 -1.283 11.896 -2.419 1.00 1.00 H new ATOM 0 HB2 MET A 64 -0.891 13.719 -3.905 1.00 1.00 H new ATOM 0 HB3 MET A 64 0.231 12.801 -4.890 1.00 1.00 H new ATOM 0 HG2 MET A 64 -1.502 11.525 -5.916 1.00 1.00 H new ATOM 0 HG3 MET A 64 -2.639 11.842 -4.621 1.00 1.00 H new ATOM 0 HE1 MET A 64 -4.315 13.480 -7.655 1.00 1.00 H new ATOM 0 HE2 MET A 64 -2.947 12.431 -8.097 1.00 1.00 H new ATOM 0 HE3 MET A 64 -4.014 11.980 -6.745 1.00 1.00 H new ATOM 1013 N ASP A 65 0.381 9.767 -4.303 1.00 1.00 N ATOM 1014 CA ASP A 65 0.340 8.422 -4.861 1.00 1.00 C ATOM 1015 C ASP A 65 -0.130 7.420 -3.811 1.00 1.00 C ATOM 1016 O ASP A 65 -0.749 6.407 -4.140 1.00 1.00 O ATOM 1017 CB ASP A 65 1.730 8.023 -5.363 1.00 1.00 C ATOM 1018 CG ASP A 65 1.969 8.608 -6.750 1.00 1.00 C ATOM 1019 OD1 ASP A 65 2.052 9.820 -6.853 1.00 1.00 O ATOM 1020 OD2 ASP A 65 2.063 7.834 -7.689 1.00 1.00 O ATOM 0 H ASP A 65 1.279 10.240 -4.399 1.00 1.00 H new ATOM 0 HA ASP A 65 -0.363 8.415 -5.694 1.00 1.00 H new ATOM 0 HB2 ASP A 65 2.493 8.381 -4.671 1.00 1.00 H new ATOM 0 HB3 ASP A 65 1.816 6.937 -5.397 1.00 1.00 H new ATOM 1025 N ALA A 66 0.164 7.709 -2.547 1.00 1.00 N ATOM 1026 CA ALA A 66 -0.239 6.824 -1.460 1.00 1.00 C ATOM 1027 C ALA A 66 -1.746 6.891 -1.247 1.00 1.00 C ATOM 1028 O ALA A 66 -2.427 5.864 -1.236 1.00 1.00 O ATOM 1029 CB ALA A 66 0.479 7.222 -0.168 1.00 1.00 C ATOM 0 H ALA A 66 0.675 8.541 -2.252 1.00 1.00 H new ATOM 0 HA ALA A 66 0.034 5.803 -1.727 1.00 1.00 H new ATOM 0 HB1 ALA A 66 0.172 6.556 0.639 1.00 1.00 H new ATOM 0 HB2 ALA A 66 1.557 7.145 -0.312 1.00 1.00 H new ATOM 0 HB3 ALA A 66 0.220 8.249 0.091 1.00 1.00 H new ATOM 1035 N SER A 67 -2.262 8.103 -1.080 1.00 1.00 N ATOM 1036 CA SER A 67 -3.694 8.288 -0.871 1.00 1.00 C ATOM 1037 C SER A 67 -4.476 7.785 -2.079 1.00 1.00 C ATOM 1038 O SER A 67 -5.565 7.231 -1.939 1.00 1.00 O ATOM 1039 CB SER A 67 -4.001 9.768 -0.642 1.00 1.00 C ATOM 1040 OG SER A 67 -3.412 10.537 -1.683 1.00 1.00 O ATOM 0 H SER A 67 -1.717 8.965 -1.085 1.00 1.00 H new ATOM 0 HA SER A 67 -3.993 7.716 0.008 1.00 1.00 H new ATOM 0 HB2 SER A 67 -5.079 9.929 -0.621 1.00 1.00 H new ATOM 0 HB3 SER A 67 -3.612 10.086 0.325 1.00 1.00 H new ATOM 0 HG SER A 67 -2.864 9.955 -2.250 1.00 1.00 H new ATOM 1046 N GLN A 68 -3.910 7.983 -3.265 1.00 1.00 N ATOM 1047 CA GLN A 68 -4.556 7.547 -4.492 1.00 1.00 C ATOM 1048 C GLN A 68 -4.662 6.026 -4.535 1.00 1.00 C ATOM 1049 O GLN A 68 -5.759 5.474 -4.616 1.00 1.00 O ATOM 1050 CB GLN A 68 -3.755 8.038 -5.699 1.00 1.00 C ATOM 1051 CG GLN A 68 -4.628 8.957 -6.555 1.00 1.00 C ATOM 1052 CD GLN A 68 -3.893 9.334 -7.837 1.00 1.00 C ATOM 1053 OE1 GLN A 68 -4.463 9.257 -8.924 1.00 1.00 O ATOM 1054 NE2 GLN A 68 -2.657 9.749 -7.773 1.00 1.00 N ATOM 0 H GLN A 68 -3.009 8.441 -3.400 1.00 1.00 H new ATOM 0 HA GLN A 68 -5.561 7.968 -4.522 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -2.866 8.572 -5.365 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -3.413 7.189 -6.291 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -5.566 8.458 -6.798 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -4.882 9.857 -5.994 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -2.186 9.812 -6.870 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -2.162 10.010 -8.626 1.00 1.00 H new ATOM 1063 N LEU A 69 -3.516 5.355 -4.480 1.00 1.00 N ATOM 1064 CA LEU A 69 -3.496 3.895 -4.512 1.00 1.00 C ATOM 1065 C LEU A 69 -4.446 3.329 -3.464 1.00 1.00 C ATOM 1066 O LEU A 69 -5.004 2.245 -3.634 1.00 1.00 O ATOM 1067 CB LEU A 69 -2.076 3.383 -4.249 1.00 1.00 C ATOM 1068 CG LEU A 69 -1.797 2.149 -5.114 1.00 1.00 C ATOM 1069 CD1 LEU A 69 -0.374 1.652 -4.848 1.00 1.00 C ATOM 1070 CD2 LEU A 69 -2.792 1.043 -4.764 1.00 1.00 C ATOM 0 H LEU A 69 -2.597 5.793 -4.414 1.00 1.00 H new ATOM 0 HA LEU A 69 -3.820 3.566 -5.499 1.00 1.00 H new ATOM 0 HB2 LEU A 69 -1.351 4.166 -4.472 1.00 1.00 H new ATOM 0 HB3 LEU A 69 -1.960 3.132 -3.195 1.00 1.00 H new ATOM 0 HG LEU A 69 -1.902 2.414 -6.166 1.00 1.00 H new ATOM 0 HD11 LEU A 69 -0.174 0.774 -5.463 1.00 1.00 H new ATOM 0 HD12 LEU A 69 0.339 2.439 -5.096 1.00 1.00 H new ATOM 0 HD13 LEU A 69 -0.271 1.389 -3.795 1.00 1.00 H new ATOM 0 HD21 LEU A 69 -2.593 0.166 -5.380 1.00 1.00 H new ATOM 0 HD22 LEU A 69 -2.687 0.779 -3.712 1.00 1.00 H new ATOM 0 HD23 LEU A 69 -3.807 1.394 -4.951 1.00 1.00 H new ATOM 1082 N LEU A 70 -4.624 4.069 -2.378 1.00 1.00 N ATOM 1083 CA LEU A 70 -5.511 3.627 -1.304 1.00 1.00 C ATOM 1084 C LEU A 70 -6.971 3.802 -1.712 1.00 1.00 C ATOM 1085 O LEU A 70 -7.819 2.976 -1.379 1.00 1.00 O ATOM 1086 CB LEU A 70 -5.231 4.426 -0.021 1.00 1.00 C ATOM 1087 CG LEU A 70 -4.893 3.482 1.143 1.00 1.00 C ATOM 1088 CD1 LEU A 70 -4.329 4.295 2.309 1.00 1.00 C ATOM 1089 CD2 LEU A 70 -6.158 2.759 1.608 1.00 1.00 C ATOM 0 H LEU A 70 -4.173 4.969 -2.215 1.00 1.00 H new ATOM 0 HA LEU A 70 -5.322 2.570 -1.115 1.00 1.00 H new ATOM 0 HB2 LEU A 70 -4.403 5.115 -0.189 1.00 1.00 H new ATOM 0 HB3 LEU A 70 -6.102 5.030 0.235 1.00 1.00 H new ATOM 0 HG LEU A 70 -4.157 2.751 0.808 1.00 1.00 H new ATOM 0 HD11 LEU A 70 -4.089 3.627 3.136 1.00 1.00 H new ATOM 0 HD12 LEU A 70 -3.426 4.814 1.988 1.00 1.00 H new ATOM 0 HD13 LEU A 70 -5.070 5.025 2.636 1.00 1.00 H new ATOM 0 HD21 LEU A 70 -5.913 2.091 2.434 1.00 1.00 H new ATOM 0 HD22 LEU A 70 -6.894 3.491 1.940 1.00 1.00 H new ATOM 0 HD23 LEU A 70 -6.570 2.179 0.782 1.00 1.00 H new ATOM 1101 N GLN A 71 -7.259 4.877 -2.436 1.00 1.00 N ATOM 1102 CA GLN A 71 -8.621 5.139 -2.881 1.00 1.00 C ATOM 1103 C GLN A 71 -8.933 4.350 -4.150 1.00 1.00 C ATOM 1104 O GLN A 71 -10.084 3.997 -4.408 1.00 1.00 O ATOM 1105 CB GLN A 71 -8.805 6.633 -3.145 1.00 1.00 C ATOM 1106 CG GLN A 71 -10.168 6.873 -3.792 1.00 1.00 C ATOM 1107 CD GLN A 71 -10.772 8.173 -3.269 1.00 1.00 C ATOM 1108 OE1 GLN A 71 -11.993 8.309 -3.204 1.00 1.00 O ATOM 1109 NE2 GLN A 71 -9.983 9.140 -2.891 1.00 1.00 N ATOM 0 H GLN A 71 -6.574 5.575 -2.725 1.00 1.00 H new ATOM 0 HA GLN A 71 -9.307 4.823 -2.095 1.00 1.00 H new ATOM 0 HB2 GLN A 71 -8.731 7.190 -2.211 1.00 1.00 H new ATOM 0 HB3 GLN A 71 -8.012 6.998 -3.797 1.00 1.00 H new ATOM 0 HG2 GLN A 71 -10.062 6.922 -4.876 1.00 1.00 H new ATOM 0 HG3 GLN A 71 -10.835 6.039 -3.574 1.00 1.00 H new ATOM 0 HE21 GLN A 71 -8.971 9.024 -2.946 1.00 1.00 H new ATOM 0 HE22 GLN A 71 -10.378 10.013 -2.540 1.00 1.00 H new ATOM 1118 N ILE A 72 -7.900 4.078 -4.941 1.00 1.00 N ATOM 1119 CA ILE A 72 -8.076 3.333 -6.182 1.00 1.00 C ATOM 1120 C ILE A 72 -8.310 1.853 -5.895 1.00 1.00 C ATOM 1121 O ILE A 72 -9.096 1.196 -6.578 1.00 1.00 O ATOM 1122 CB ILE A 72 -6.839 3.492 -7.068 1.00 1.00 C ATOM 1123 CG1 ILE A 72 -6.891 4.849 -7.774 1.00 1.00 C ATOM 1124 CG2 ILE A 72 -6.811 2.377 -8.114 1.00 1.00 C ATOM 1125 CD1 ILE A 72 -5.518 5.168 -8.368 1.00 1.00 C ATOM 0 H ILE A 72 -6.939 4.360 -4.747 1.00 1.00 H new ATOM 0 HA ILE A 72 -8.948 3.732 -6.699 1.00 1.00 H new ATOM 0 HB ILE A 72 -5.942 3.434 -6.452 1.00 1.00 H new ATOM 0 HG12 ILE A 72 -7.645 4.833 -8.561 1.00 1.00 H new ATOM 0 HG13 ILE A 72 -7.184 5.627 -7.069 1.00 1.00 H new ATOM 0 HG21 ILE A 72 -5.929 2.492 -8.744 1.00 1.00 H new ATOM 0 HG22 ILE A 72 -6.776 1.409 -7.613 1.00 1.00 H new ATOM 0 HG23 ILE A 72 -7.708 2.434 -8.731 1.00 1.00 H new ATOM 0 HD11 ILE A 72 -5.555 6.134 -8.871 1.00 1.00 H new ATOM 0 HD12 ILE A 72 -4.776 5.202 -7.571 1.00 1.00 H new ATOM 0 HD13 ILE A 72 -5.244 4.395 -9.086 1.00 1.00 H new ATOM 1137 N LEU A 73 -7.619 1.334 -4.885 1.00 1.00 N ATOM 1138 CA LEU A 73 -7.761 -0.073 -4.523 1.00 1.00 C ATOM 1139 C LEU A 73 -9.019 -0.292 -3.687 1.00 1.00 C ATOM 1140 O LEU A 73 -9.645 -1.349 -3.759 1.00 1.00 O ATOM 1141 CB LEU A 73 -6.529 -0.538 -3.740 1.00 1.00 C ATOM 1142 CG LEU A 73 -6.503 -2.068 -3.684 1.00 1.00 C ATOM 1143 CD1 LEU A 73 -5.787 -2.621 -4.919 1.00 1.00 C ATOM 1144 CD2 LEU A 73 -5.756 -2.514 -2.427 1.00 1.00 C ATOM 0 H LEU A 73 -6.962 1.859 -4.308 1.00 1.00 H new ATOM 0 HA LEU A 73 -7.848 -0.657 -5.439 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -5.622 -0.166 -4.216 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -6.551 -0.127 -2.731 1.00 1.00 H new ATOM 0 HG LEU A 73 -7.526 -2.445 -3.661 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -5.772 -3.710 -4.874 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -6.314 -2.303 -5.818 1.00 1.00 H new ATOM 0 HD13 LEU A 73 -4.764 -2.245 -4.946 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -5.735 -3.603 -2.383 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -4.735 -2.132 -2.456 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -6.264 -2.125 -1.545 1.00 1.00 H new ATOM 1156 N GLN A 74 -9.389 0.713 -2.897 1.00 1.00 N ATOM 1157 CA GLN A 74 -10.583 0.608 -2.059 1.00 1.00 C ATOM 1158 C GLN A 74 -11.833 0.950 -2.865 1.00 1.00 C ATOM 1159 O GLN A 74 -12.955 0.708 -2.418 1.00 1.00 O ATOM 1160 CB GLN A 74 -10.485 1.550 -0.854 1.00 1.00 C ATOM 1161 CG GLN A 74 -9.357 1.093 0.074 1.00 1.00 C ATOM 1162 CD GLN A 74 -9.075 2.173 1.109 1.00 1.00 C ATOM 1163 OE1 GLN A 74 -9.050 3.358 0.777 1.00 1.00 O ATOM 1164 NE2 GLN A 74 -8.856 1.836 2.350 1.00 1.00 N ATOM 0 H GLN A 74 -8.888 1.598 -2.819 1.00 1.00 H new ATOM 0 HA GLN A 74 -10.652 -0.420 -1.703 1.00 1.00 H new ATOM 0 HB2 GLN A 74 -10.299 2.569 -1.192 1.00 1.00 H new ATOM 0 HB3 GLN A 74 -11.431 1.562 -0.313 1.00 1.00 H new ATOM 0 HG2 GLN A 74 -9.636 0.164 0.571 1.00 1.00 H new ATOM 0 HG3 GLN A 74 -8.457 0.887 -0.506 1.00 1.00 H new ATOM 0 HE21 GLN A 74 -8.877 0.853 2.623 1.00 1.00 H new ATOM 0 HE22 GLN A 74 -8.664 2.555 3.047 1.00 1.00 H new ATOM 1173 N SER A 75 -11.634 1.513 -4.053 1.00 1.00 N ATOM 1174 CA SER A 75 -12.755 1.881 -4.910 1.00 1.00 C ATOM 1175 C SER A 75 -13.438 0.631 -5.452 1.00 1.00 C ATOM 1176 O SER A 75 -14.630 0.642 -5.759 1.00 1.00 O ATOM 1177 CB SER A 75 -12.266 2.744 -6.073 1.00 1.00 C ATOM 1178 OG SER A 75 -13.255 2.765 -7.092 1.00 1.00 O ATOM 0 H SER A 75 -10.715 1.723 -4.441 1.00 1.00 H new ATOM 0 HA SER A 75 -13.472 2.450 -4.318 1.00 1.00 H new ATOM 0 HB2 SER A 75 -12.062 3.758 -5.728 1.00 1.00 H new ATOM 0 HB3 SER A 75 -11.330 2.347 -6.467 1.00 1.00 H new ATOM 0 HG SER A 75 -12.944 3.319 -7.838 1.00 1.00 H new ATOM 1184 N LEU A 76 -12.671 -0.447 -5.562 1.00 1.00 N ATOM 1185 CA LEU A 76 -13.208 -1.707 -6.061 1.00 1.00 C ATOM 1186 C LEU A 76 -14.102 -2.349 -5.006 1.00 1.00 C ATOM 1187 O LEU A 76 -13.768 -2.366 -3.822 1.00 1.00 O ATOM 1188 CB LEU A 76 -12.069 -2.665 -6.423 1.00 1.00 C ATOM 1189 CG LEU A 76 -11.145 -2.011 -7.455 1.00 1.00 C ATOM 1190 CD1 LEU A 76 -9.976 -2.949 -7.762 1.00 1.00 C ATOM 1191 CD2 LEU A 76 -11.922 -1.731 -8.746 1.00 1.00 C ATOM 0 H LEU A 76 -11.682 -0.475 -5.314 1.00 1.00 H new ATOM 0 HA LEU A 76 -13.797 -1.503 -6.955 1.00 1.00 H new ATOM 0 HB2 LEU A 76 -11.503 -2.925 -5.529 1.00 1.00 H new ATOM 0 HB3 LEU A 76 -12.476 -3.593 -6.824 1.00 1.00 H new ATOM 0 HG LEU A 76 -10.766 -1.072 -7.051 1.00 1.00 H new ATOM 0 HD11 LEU A 76 -9.319 -2.483 -8.496 1.00 1.00 H new ATOM 0 HD12 LEU A 76 -9.417 -3.145 -6.847 1.00 1.00 H new ATOM 0 HD13 LEU A 76 -10.358 -3.888 -8.162 1.00 1.00 H new ATOM 0 HD21 LEU A 76 -11.259 -1.266 -9.476 1.00 1.00 H new ATOM 0 HD22 LEU A 76 -12.306 -2.668 -9.150 1.00 1.00 H new ATOM 0 HD23 LEU A 76 -12.754 -1.060 -8.532 1.00 1.00 H new ATOM 1203 N HIS A 77 -15.242 -2.871 -5.443 1.00 1.00 N ATOM 1204 CA HIS A 77 -16.180 -3.506 -4.520 1.00 1.00 C ATOM 1205 C HIS A 77 -15.500 -4.614 -3.713 1.00 1.00 C ATOM 1206 O HIS A 77 -15.520 -4.580 -2.484 1.00 1.00 O ATOM 1207 CB HIS A 77 -17.386 -4.075 -5.277 1.00 1.00 C ATOM 1208 CG HIS A 77 -18.605 -3.260 -4.948 1.00 1.00 C ATOM 1209 ND1 HIS A 77 -18.667 -1.893 -5.180 1.00 1.00 N ATOM 1210 CD2 HIS A 77 -19.815 -3.600 -4.396 1.00 1.00 C ATOM 1211 CE1 HIS A 77 -19.876 -1.467 -4.771 1.00 1.00 C ATOM 1212 NE2 HIS A 77 -20.615 -2.467 -4.285 1.00 1.00 N ATOM 0 H HIS A 77 -15.539 -2.869 -6.419 1.00 1.00 H new ATOM 0 HA HIS A 77 -16.528 -2.740 -3.827 1.00 1.00 H new ATOM 0 HB2 HIS A 77 -17.199 -4.055 -6.351 1.00 1.00 H new ATOM 0 HB3 HIS A 77 -17.545 -5.117 -5.001 1.00 1.00 H new ATOM 0 HD2 HIS A 77 -20.102 -4.596 -4.094 1.00 1.00 H new ATOM 0 HE1 HIS A 77 -20.208 -0.441 -4.829 1.00 1.00 H new ATOM 0 HE2 HIS A 77 -21.563 -2.412 -3.912 1.00 1.00 H new ATOM 1220 N PRO A 78 -14.901 -5.587 -4.361 1.00 1.00 N ATOM 1221 CA PRO A 78 -14.212 -6.707 -3.654 1.00 1.00 C ATOM 1222 C PRO A 78 -12.855 -6.275 -3.072 1.00 1.00 C ATOM 1223 O PRO A 78 -11.940 -5.958 -3.831 1.00 1.00 O ATOM 1224 CB PRO A 78 -14.013 -7.752 -4.751 1.00 1.00 C ATOM 1225 CG PRO A 78 -13.944 -6.979 -6.024 1.00 1.00 C ATOM 1226 CD PRO A 78 -14.810 -5.734 -5.828 1.00 1.00 C ATOM 0 HA PRO A 78 -14.788 -7.070 -2.803 1.00 1.00 H new ATOM 0 HB2 PRO A 78 -13.099 -8.324 -4.588 1.00 1.00 H new ATOM 0 HB3 PRO A 78 -14.837 -8.466 -4.768 1.00 1.00 H new ATOM 0 HG2 PRO A 78 -12.915 -6.703 -6.254 1.00 1.00 H new ATOM 0 HG3 PRO A 78 -14.308 -7.576 -6.860 1.00 1.00 H new ATOM 0 HD2 PRO A 78 -14.357 -4.856 -6.289 1.00 1.00 H new ATOM 0 HD3 PRO A 78 -15.795 -5.858 -6.278 1.00 1.00 H new ATOM 1234 N PRO A 79 -12.694 -6.253 -1.762 1.00 1.00 N ATOM 1235 CA PRO A 79 -11.400 -5.847 -1.135 1.00 1.00 C ATOM 1236 C PRO A 79 -10.211 -6.566 -1.767 1.00 1.00 C ATOM 1237 O PRO A 79 -10.369 -7.323 -2.725 1.00 1.00 O ATOM 1238 CB PRO A 79 -11.556 -6.247 0.333 1.00 1.00 C ATOM 1239 CG PRO A 79 -13.025 -6.276 0.589 1.00 1.00 C ATOM 1240 CD PRO A 79 -13.703 -6.600 -0.743 1.00 1.00 C ATOM 0 HA PRO A 79 -11.200 -4.784 -1.269 1.00 1.00 H new ATOM 0 HB2 PRO A 79 -11.106 -7.221 0.523 1.00 1.00 H new ATOM 0 HB3 PRO A 79 -11.058 -5.532 0.989 1.00 1.00 H new ATOM 0 HG2 PRO A 79 -13.271 -7.027 1.340 1.00 1.00 H new ATOM 0 HG3 PRO A 79 -13.369 -5.316 0.974 1.00 1.00 H new ATOM 0 HD2 PRO A 79 -13.981 -7.652 -0.802 1.00 1.00 H new ATOM 0 HD3 PRO A 79 -14.617 -6.021 -0.875 1.00 1.00 H new ATOM 1248 N LEU A 80 -9.020 -6.333 -1.222 1.00 1.00 N ATOM 1249 CA LEU A 80 -7.820 -6.972 -1.747 1.00 1.00 C ATOM 1250 C LEU A 80 -7.772 -8.432 -1.300 1.00 1.00 C ATOM 1251 O LEU A 80 -7.804 -8.723 -0.104 1.00 1.00 O ATOM 1252 CB LEU A 80 -6.574 -6.224 -1.256 1.00 1.00 C ATOM 1253 CG LEU A 80 -5.309 -6.839 -1.870 1.00 1.00 C ATOM 1254 CD1 LEU A 80 -5.337 -6.689 -3.395 1.00 1.00 C ATOM 1255 CD2 LEU A 80 -4.078 -6.118 -1.316 1.00 1.00 C ATOM 0 H LEU A 80 -8.862 -5.714 -0.427 1.00 1.00 H new ATOM 0 HA LEU A 80 -7.843 -6.939 -2.836 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -6.643 -5.171 -1.527 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -6.518 -6.270 -0.168 1.00 1.00 H new ATOM 0 HG LEU A 80 -5.267 -7.898 -1.616 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -4.435 -7.129 -3.820 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -6.213 -7.200 -3.795 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -5.383 -5.632 -3.656 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -3.177 -6.552 -1.749 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -4.131 -5.060 -1.571 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -4.049 -6.229 -0.232 1.00 1.00 H new ATOM 1267 N LYS A 81 -7.706 -9.339 -2.271 1.00 1.00 N ATOM 1268 CA LYS A 81 -7.668 -10.770 -1.976 1.00 1.00 C ATOM 1269 C LYS A 81 -6.386 -11.399 -2.505 1.00 1.00 C ATOM 1270 O LYS A 81 -6.102 -11.350 -3.701 1.00 1.00 O ATOM 1271 CB LYS A 81 -8.887 -11.458 -2.611 1.00 1.00 C ATOM 1272 CG LYS A 81 -8.754 -12.989 -2.526 1.00 1.00 C ATOM 1273 CD LYS A 81 -8.517 -13.419 -1.078 1.00 1.00 C ATOM 1274 CE LYS A 81 -9.031 -14.848 -0.893 1.00 1.00 C ATOM 1275 NZ LYS A 81 -8.306 -15.497 0.236 1.00 1.00 N ATOM 0 H LYS A 81 -7.678 -9.111 -3.265 1.00 1.00 H new ATOM 0 HA LYS A 81 -7.694 -10.903 -0.894 1.00 1.00 H new ATOM 0 HB2 LYS A 81 -9.797 -11.138 -2.103 1.00 1.00 H new ATOM 0 HB3 LYS A 81 -8.980 -11.154 -3.653 1.00 1.00 H new ATOM 0 HG2 LYS A 81 -9.658 -13.462 -2.910 1.00 1.00 H new ATOM 0 HG3 LYS A 81 -7.928 -13.325 -3.153 1.00 1.00 H new ATOM 0 HD2 LYS A 81 -7.455 -13.367 -0.839 1.00 1.00 H new ATOM 0 HD3 LYS A 81 -9.031 -12.742 -0.395 1.00 1.00 H new ATOM 0 HE2 LYS A 81 -10.102 -14.837 -0.692 1.00 1.00 H new ATOM 0 HE3 LYS A 81 -8.884 -15.420 -1.809 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -8.112 -16.491 -0.002 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -7.408 -14.999 0.404 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -8.891 -15.455 1.095 1.00 1.00 H new ATOM 1289 N ILE A 82 -5.630 -12.009 -1.600 1.00 1.00 N ATOM 1290 CA ILE A 82 -4.390 -12.678 -1.964 1.00 1.00 C ATOM 1291 C ILE A 82 -4.437 -14.115 -1.466 1.00 1.00 C ATOM 1292 O ILE A 82 -4.793 -14.357 -0.312 1.00 1.00 O ATOM 1293 CB ILE A 82 -3.191 -11.956 -1.337 1.00 1.00 C ATOM 1294 CG1 ILE A 82 -3.152 -10.496 -1.817 1.00 1.00 C ATOM 1295 CG2 ILE A 82 -1.896 -12.664 -1.736 1.00 1.00 C ATOM 1296 CD1 ILE A 82 -2.371 -10.391 -3.130 1.00 1.00 C ATOM 0 H ILE A 82 -5.856 -12.053 -0.606 1.00 1.00 H new ATOM 0 HA ILE A 82 -4.279 -12.663 -3.048 1.00 1.00 H new ATOM 0 HB ILE A 82 -3.291 -11.973 -0.252 1.00 1.00 H new ATOM 0 HG12 ILE A 82 -4.167 -10.125 -1.959 1.00 1.00 H new ATOM 0 HG13 ILE A 82 -2.686 -9.868 -1.057 1.00 1.00 H new ATOM 0 HG21 ILE A 82 -1.046 -12.148 -1.289 1.00 1.00 H new ATOM 0 HG22 ILE A 82 -1.921 -13.695 -1.383 1.00 1.00 H new ATOM 0 HG23 ILE A 82 -1.796 -12.654 -2.821 1.00 1.00 H new ATOM 0 HD11 ILE A 82 -2.351 -9.352 -3.459 1.00 1.00 H new ATOM 0 HD12 ILE A 82 -1.351 -10.743 -2.976 1.00 1.00 H new ATOM 0 HD13 ILE A 82 -2.855 -11.003 -3.891 1.00 1.00 H new ATOM 1308 N ASP A 83 -4.099 -15.062 -2.343 1.00 1.00 N ATOM 1309 CA ASP A 83 -4.124 -16.479 -1.981 1.00 1.00 C ATOM 1310 C ASP A 83 -3.746 -16.672 -0.516 1.00 1.00 C ATOM 1311 O ASP A 83 -2.574 -16.578 -0.149 1.00 1.00 O ATOM 1312 CB ASP A 83 -3.150 -17.261 -2.864 1.00 1.00 C ATOM 1313 CG ASP A 83 -3.685 -17.338 -4.291 1.00 1.00 C ATOM 1314 OD1 ASP A 83 -4.861 -17.625 -4.445 1.00 1.00 O ATOM 1315 OD2 ASP A 83 -2.912 -17.108 -5.206 1.00 1.00 O ATOM 0 H ASP A 83 -3.807 -14.875 -3.302 1.00 1.00 H new ATOM 0 HA ASP A 83 -5.137 -16.851 -2.134 1.00 1.00 H new ATOM 0 HB2 ASP A 83 -2.173 -16.777 -2.859 1.00 1.00 H new ATOM 0 HB3 ASP A 83 -3.010 -18.266 -2.465 1.00 1.00 H new ATOM 1320 N GLY A 84 -4.748 -16.934 0.317 1.00 1.00 N ATOM 1321 CA GLY A 84 -4.507 -17.132 1.739 1.00 1.00 C ATOM 1322 C GLY A 84 -5.652 -16.578 2.587 1.00 1.00 C ATOM 1323 O GLY A 84 -6.107 -17.232 3.525 1.00 1.00 O ATOM 0 H GLY A 84 -5.725 -17.013 0.034 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -4.384 -18.196 1.943 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -3.575 -16.643 2.022 1.00 1.00 H new ATOM 1327 N LYS A 85 -6.110 -15.371 2.262 1.00 1.00 N ATOM 1328 CA LYS A 85 -7.194 -14.749 3.020 1.00 1.00 C ATOM 1329 C LYS A 85 -7.458 -13.328 2.526 1.00 1.00 C ATOM 1330 O LYS A 85 -6.849 -12.876 1.555 1.00 1.00 O ATOM 1331 CB LYS A 85 -6.836 -14.714 4.508 1.00 1.00 C ATOM 1332 CG LYS A 85 -5.333 -14.469 4.674 1.00 1.00 C ATOM 1333 CD LYS A 85 -5.088 -13.627 5.928 1.00 1.00 C ATOM 1334 CE LYS A 85 -3.635 -13.787 6.377 1.00 1.00 C ATOM 1335 NZ LYS A 85 -3.402 -12.972 7.601 1.00 1.00 N ATOM 0 H LYS A 85 -5.753 -14.810 1.489 1.00 1.00 H new ATOM 0 HA LYS A 85 -8.097 -15.342 2.874 1.00 1.00 H new ATOM 0 HB2 LYS A 85 -7.400 -13.927 5.009 1.00 1.00 H new ATOM 0 HB3 LYS A 85 -7.115 -15.656 4.981 1.00 1.00 H new ATOM 0 HG2 LYS A 85 -4.805 -15.420 4.753 1.00 1.00 H new ATOM 0 HG3 LYS A 85 -4.938 -13.957 3.796 1.00 1.00 H new ATOM 0 HD2 LYS A 85 -5.302 -12.578 5.722 1.00 1.00 H new ATOM 0 HD3 LYS A 85 -5.762 -13.939 6.726 1.00 1.00 H new ATOM 0 HE2 LYS A 85 -3.419 -14.836 6.579 1.00 1.00 H new ATOM 0 HE3 LYS A 85 -2.960 -13.470 5.582 1.00 1.00 H new ATOM 0 HZ1 LYS A 85 -2.571 -12.363 7.460 1.00 1.00 H new ATOM 0 HZ2 LYS A 85 -4.237 -12.380 7.788 1.00 1.00 H new ATOM 0 HZ3 LYS A 85 -3.236 -13.602 8.411 1.00 1.00 H new ATOM 1349 N THR A 86 -8.369 -12.631 3.199 1.00 1.00 N ATOM 1350 CA THR A 86 -8.706 -11.262 2.821 1.00 1.00 C ATOM 1351 C THR A 86 -7.605 -10.301 3.255 1.00 1.00 C ATOM 1352 O THR A 86 -7.021 -10.456 4.328 1.00 1.00 O ATOM 1353 CB THR A 86 -10.029 -10.851 3.470 1.00 1.00 C ATOM 1354 OG1 THR A 86 -10.800 -12.013 3.747 1.00 1.00 O ATOM 1355 CG2 THR A 86 -10.805 -9.938 2.518 1.00 1.00 C ATOM 0 H THR A 86 -8.884 -12.988 4.004 1.00 1.00 H new ATOM 0 HA THR A 86 -8.805 -11.218 1.736 1.00 1.00 H new ATOM 0 HB THR A 86 -9.828 -10.317 4.399 1.00 1.00 H new ATOM 0 HG1 THR A 86 -11.647 -11.752 4.164 1.00 1.00 H new ATOM 0 HG21 THR A 86 -11.747 -9.646 2.981 1.00 1.00 H new ATOM 0 HG22 THR A 86 -10.214 -9.047 2.305 1.00 1.00 H new ATOM 0 HG23 THR A 86 -11.007 -10.470 1.588 1.00 1.00 H new ATOM 1363 N ILE A 87 -7.323 -9.312 2.407 1.00 1.00 N ATOM 1364 CA ILE A 87 -6.283 -8.329 2.703 1.00 1.00 C ATOM 1365 C ILE A 87 -6.860 -6.916 2.734 1.00 1.00 C ATOM 1366 O ILE A 87 -7.673 -6.545 1.885 1.00 1.00 O ATOM 1367 CB ILE A 87 -5.187 -8.416 1.642 1.00 1.00 C ATOM 1368 CG1 ILE A 87 -4.543 -9.805 1.692 1.00 1.00 C ATOM 1369 CG2 ILE A 87 -4.133 -7.335 1.896 1.00 1.00 C ATOM 1370 CD1 ILE A 87 -3.373 -9.814 2.679 1.00 1.00 C ATOM 0 H ILE A 87 -7.797 -9.171 1.515 1.00 1.00 H new ATOM 0 HA ILE A 87 -5.866 -8.549 3.686 1.00 1.00 H new ATOM 0 HB ILE A 87 -5.620 -8.257 0.654 1.00 1.00 H new ATOM 0 HG12 ILE A 87 -5.284 -10.546 1.990 1.00 1.00 H new ATOM 0 HG13 ILE A 87 -4.192 -10.086 0.699 1.00 1.00 H new ATOM 0 HG21 ILE A 87 -3.354 -7.401 1.137 1.00 1.00 H new ATOM 0 HG22 ILE A 87 -4.602 -6.352 1.850 1.00 1.00 H new ATOM 0 HG23 ILE A 87 -3.692 -7.481 2.882 1.00 1.00 H new ATOM 0 HD11 ILE A 87 -2.925 -10.808 2.704 1.00 1.00 H new ATOM 0 HD12 ILE A 87 -2.625 -9.087 2.363 1.00 1.00 H new ATOM 0 HD13 ILE A 87 -3.734 -9.554 3.674 1.00 1.00 H new ATOM 1382 N GLY A 88 -6.429 -6.134 3.726 1.00 1.00 N ATOM 1383 CA GLY A 88 -6.903 -4.761 3.875 1.00 1.00 C ATOM 1384 C GLY A 88 -5.771 -3.761 3.664 1.00 1.00 C ATOM 1385 O GLY A 88 -4.605 -4.143 3.543 1.00 1.00 O ATOM 0 H GLY A 88 -5.756 -6.428 4.434 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -7.700 -4.569 3.157 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -7.330 -4.627 4.869 1.00 1.00 H new ATOM 1389 N VAL A 89 -6.124 -2.477 3.622 1.00 1.00 N ATOM 1390 CA VAL A 89 -5.137 -1.418 3.429 1.00 1.00 C ATOM 1391 C VAL A 89 -5.275 -0.359 4.518 1.00 1.00 C ATOM 1392 O VAL A 89 -6.384 -0.015 4.924 1.00 1.00 O ATOM 1393 CB VAL A 89 -5.333 -0.767 2.058 1.00 1.00 C ATOM 1394 CG1 VAL A 89 -4.097 0.057 1.694 1.00 1.00 C ATOM 1395 CG2 VAL A 89 -5.544 -1.853 1.002 1.00 1.00 C ATOM 0 H VAL A 89 -7.084 -2.146 3.719 1.00 1.00 H new ATOM 0 HA VAL A 89 -4.141 -1.857 3.484 1.00 1.00 H new ATOM 0 HB VAL A 89 -6.206 -0.115 2.094 1.00 1.00 H new ATOM 0 HG11 VAL A 89 -4.242 0.518 0.717 1.00 1.00 H new ATOM 0 HG12 VAL A 89 -3.944 0.834 2.443 1.00 1.00 H new ATOM 0 HG13 VAL A 89 -3.223 -0.593 1.662 1.00 1.00 H new ATOM 0 HG21 VAL A 89 -5.684 -1.389 0.026 1.00 1.00 H new ATOM 0 HG22 VAL A 89 -4.672 -2.506 0.972 1.00 1.00 H new ATOM 0 HG23 VAL A 89 -6.427 -2.439 1.255 1.00 1.00 H new ATOM 1405 N ASP A 90 -4.142 0.156 4.985 1.00 1.00 N ATOM 1406 CA ASP A 90 -4.153 1.179 6.027 1.00 1.00 C ATOM 1407 C ASP A 90 -3.068 2.220 5.770 1.00 1.00 C ATOM 1408 O ASP A 90 -2.084 1.948 5.083 1.00 1.00 O ATOM 1409 CB ASP A 90 -3.933 0.535 7.398 1.00 1.00 C ATOM 1410 CG ASP A 90 -3.173 1.494 8.306 1.00 1.00 C ATOM 1411 OD1 ASP A 90 -3.723 2.533 8.631 1.00 1.00 O ATOM 1412 OD2 ASP A 90 -2.053 1.174 8.669 1.00 1.00 O ATOM 0 H ASP A 90 -3.213 -0.114 4.663 1.00 1.00 H new ATOM 0 HA ASP A 90 -5.124 1.673 6.012 1.00 1.00 H new ATOM 0 HB2 ASP A 90 -4.893 0.279 7.847 1.00 1.00 H new ATOM 0 HB3 ASP A 90 -3.374 -0.394 7.287 1.00 1.00 H new ATOM 1417 N PHE A 91 -3.254 3.411 6.329 1.00 1.00 N ATOM 1418 CA PHE A 91 -2.284 4.487 6.157 1.00 1.00 C ATOM 1419 C PHE A 91 -1.071 4.256 7.050 1.00 1.00 C ATOM 1420 O PHE A 91 -1.059 3.345 7.877 1.00 1.00 O ATOM 1421 CB PHE A 91 -2.928 5.828 6.506 1.00 1.00 C ATOM 1422 CG PHE A 91 -3.577 6.419 5.277 1.00 1.00 C ATOM 1423 CD1 PHE A 91 -2.786 6.827 4.197 1.00 1.00 C ATOM 1424 CD2 PHE A 91 -4.970 6.560 5.218 1.00 1.00 C ATOM 1425 CE1 PHE A 91 -3.386 7.377 3.058 1.00 1.00 C ATOM 1426 CE2 PHE A 91 -5.569 7.111 4.080 1.00 1.00 C ATOM 1427 CZ PHE A 91 -4.778 7.519 2.999 1.00 1.00 C ATOM 0 H PHE A 91 -4.062 3.655 6.902 1.00 1.00 H new ATOM 0 HA PHE A 91 -1.960 4.500 5.116 1.00 1.00 H new ATOM 0 HB2 PHE A 91 -3.672 5.691 7.291 1.00 1.00 H new ATOM 0 HB3 PHE A 91 -2.175 6.513 6.896 1.00 1.00 H new ATOM 0 HD1 PHE A 91 -1.713 6.718 4.242 1.00 1.00 H new ATOM 0 HD2 PHE A 91 -5.581 6.244 6.051 1.00 1.00 H new ATOM 0 HE1 PHE A 91 -2.775 7.692 2.225 1.00 1.00 H new ATOM 0 HE2 PHE A 91 -6.642 7.222 4.035 1.00 1.00 H new ATOM 0 HZ PHE A 91 -5.241 7.943 2.120 1.00 1.00 H new ATOM 1437 N ALA A 92 -0.051 5.092 6.881 1.00 1.00 N ATOM 1438 CA ALA A 92 1.163 4.972 7.680 1.00 1.00 C ATOM 1439 C ALA A 92 0.837 5.067 9.167 1.00 1.00 C ATOM 1440 O ALA A 92 -0.323 5.218 9.550 1.00 1.00 O ATOM 1441 CB ALA A 92 2.149 6.078 7.299 1.00 1.00 C ATOM 0 H ALA A 92 -0.041 5.854 6.203 1.00 1.00 H new ATOM 0 HA ALA A 92 1.613 4.000 7.481 1.00 1.00 H new ATOM 0 HB1 ALA A 92 3.053 5.982 7.900 1.00 1.00 H new ATOM 0 HB2 ALA A 92 2.404 5.990 6.243 1.00 1.00 H new ATOM 0 HB3 ALA A 92 1.693 7.051 7.482 1.00 1.00 H new ATOM 1447 N LYS A 93 1.869 4.979 10.000 1.00 1.00 N ATOM 1448 CA LYS A 93 1.682 5.058 11.445 1.00 1.00 C ATOM 1449 C LYS A 93 0.725 3.969 11.920 1.00 1.00 C ATOM 1450 O LYS A 93 -0.395 4.258 12.347 1.00 1.00 O ATOM 1451 CB LYS A 93 1.126 6.431 11.826 1.00 1.00 C ATOM 1452 CG LYS A 93 1.174 6.597 13.345 1.00 1.00 C ATOM 1453 CD LYS A 93 0.681 7.997 13.722 1.00 1.00 C ATOM 1454 CE LYS A 93 1.874 8.868 14.123 1.00 1.00 C ATOM 1455 NZ LYS A 93 2.930 8.776 13.074 1.00 1.00 N ATOM 0 H LYS A 93 2.837 4.854 9.703 1.00 1.00 H new ATOM 0 HA LYS A 93 2.649 4.913 11.927 1.00 1.00 H new ATOM 0 HB2 LYS A 93 1.708 7.217 11.345 1.00 1.00 H new ATOM 0 HB3 LYS A 93 0.100 6.531 11.471 1.00 1.00 H new ATOM 0 HG2 LYS A 93 0.553 5.840 13.824 1.00 1.00 H new ATOM 0 HG3 LYS A 93 2.192 6.449 13.706 1.00 1.00 H new ATOM 0 HD2 LYS A 93 0.155 8.448 12.880 1.00 1.00 H new ATOM 0 HD3 LYS A 93 -0.030 7.934 14.546 1.00 1.00 H new ATOM 0 HE2 LYS A 93 1.557 9.904 14.246 1.00 1.00 H new ATOM 0 HE3 LYS A 93 2.271 8.540 15.084 1.00 1.00 H new ATOM 0 HZ1 LYS A 93 3.619 9.544 13.206 1.00 1.00 H new ATOM 0 HZ2 LYS A 93 3.415 7.859 13.149 1.00 1.00 H new ATOM 0 HZ3 LYS A 93 2.494 8.861 12.134 1.00 1.00 H new ATOM 1469 N SER A 94 1.173 2.719 11.844 1.00 1.00 N ATOM 1470 CA SER A 94 0.351 1.590 12.269 1.00 1.00 C ATOM 1471 C SER A 94 0.873 1.011 13.581 1.00 1.00 C ATOM 1472 O SER A 94 1.240 -0.161 13.649 1.00 1.00 O ATOM 1473 CB SER A 94 0.361 0.505 11.193 1.00 1.00 C ATOM 1474 OG SER A 94 1.652 -0.085 11.134 1.00 1.00 O ATOM 0 H SER A 94 2.096 2.463 11.494 1.00 1.00 H new ATOM 0 HA SER A 94 -0.669 1.944 12.421 1.00 1.00 H new ATOM 0 HB2 SER A 94 -0.388 -0.254 11.418 1.00 1.00 H new ATOM 0 HB3 SER A 94 0.100 0.934 10.225 1.00 1.00 H new ATOM 0 HG SER A 94 1.816 -0.596 11.954 1.00 1.00 H new ATOM 1480 N ALA A 95 0.900 1.841 14.619 1.00 1.00 N ATOM 1481 CA ALA A 95 1.379 1.399 15.924 1.00 1.00 C ATOM 1482 C ALA A 95 2.768 0.780 15.805 1.00 1.00 C ATOM 1483 O ALA A 95 3.258 0.684 14.691 1.00 1.00 O ATOM 1484 CB ALA A 95 0.411 0.373 16.515 1.00 1.00 C ATOM 1485 OXT ALA A 95 3.320 0.411 16.828 1.00 1.00 O ATOM 0 H ALA A 95 0.599 2.815 14.583 1.00 1.00 H new ATOM 0 HA ALA A 95 1.436 2.267 16.581 1.00 1.00 H new ATOM 0 HB1 ALA A 95 0.776 0.048 17.489 1.00 1.00 H new ATOM 0 HB2 ALA A 95 -0.574 0.826 16.629 1.00 1.00 H new ATOM 0 HB3 ALA A 95 0.341 -0.487 15.849 1.00 1.00 H new TER 1491 ALA A 95